smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccc(O)c(O)c1)c1c(O)cnc2c(F)cccc21 ZINC001566359939 1125596775 /nfs/dbraw/zinc/59/67/75/1125596775.db2.gz SGTVJEWQRJONHC-UHFFFAOYSA-N 0 0 328.299 2.421 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1c(C(F)F)nc2cnccn21 ZINC001566370371 1125598246 /nfs/dbraw/zinc/59/82/46/1125598246.db2.gz XTLHBYZLTAEEEZ-UHFFFAOYSA-N 0 0 348.309 2.051 10 10 EECERN CCOC(=O)COc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001441293257 1094728574 /nfs/dbraw/zinc/72/85/74/1094728574.db2.gz IAFWNEVBDZQMRV-UHFFFAOYSA-N 0 0 345.351 2.221 10 10 EECERN Cc1cc(C(=O)N[C@@H](CO)c2cccnc2)c(C)n1-c1ccccn1 ZINC001451761140 1097904882 /nfs/dbraw/zinc/90/48/82/1097904882.db2.gz QVEIOJKBLUUCFA-KRWDZBQOSA-N 0 0 336.395 2.348 10 10 EECERN O=C(CNC(=O)c1cccs1)NCc1ccc2cccnc2c1O ZINC001451969130 1098067717 /nfs/dbraw/zinc/06/77/17/1098067717.db2.gz ZEQVGQGCBVHYCO-UHFFFAOYSA-N 0 0 341.392 2.048 10 10 EECERN CC[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H]1C ZINC001448027079 1103830221 /nfs/dbraw/zinc/83/02/21/1103830221.db2.gz SRZQDZUABRVAML-WDEREUQCSA-N 0 0 326.418 2.024 10 10 EECERN O=C(/C=C\c1cncc(O)c1)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001452683913 1105641465 /nfs/dbraw/zinc/64/14/65/1105641465.db2.gz FCBLQXOWZYELAE-ZFDPJTLLSA-N 0 0 328.343 2.137 10 10 EECERN Cc1conc1CNC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001498203232 1107075784 /nfs/dbraw/zinc/07/57/84/1107075784.db2.gz OJGHGDLEVJZINI-NSHDSACASA-N 0 0 344.375 2.054 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001455349811 1108466190 /nfs/dbraw/zinc/46/61/90/1108466190.db2.gz AFXPPPMYVAISLR-INIZCTEOSA-N 0 0 340.379 2.157 10 10 EECERN COc1cccc(CNC(=O)[C@H](CO)c2ccc(Cl)cc2)c1O ZINC001465992732 1110427894 /nfs/dbraw/zinc/42/78/94/1110427894.db2.gz LFXNYVMQHLIUCR-CQSZACIVSA-N 0 0 335.787 2.447 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC001466798917 1110444011 /nfs/dbraw/zinc/44/40/11/1110444011.db2.gz MPVLIMRBYLQARM-ZIAGYGMSSA-N 0 0 344.371 2.059 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)[nH]c1=O ZINC001469159035 1110486155 /nfs/dbraw/zinc/48/61/55/1110486155.db2.gz JNDXEXIDPVLXMK-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN NC(=O)N[C@@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC001469874347 1110498229 /nfs/dbraw/zinc/49/82/29/1110498229.db2.gz LTGDFIFYSWUFBU-AWEZNQCLSA-N 0 0 347.802 2.462 10 10 EECERN Cc1nnc2n1CCN(C(=O)c1cc3cc(O)c(O)cc3s1)[C@@H]2C ZINC001472444585 1110556097 /nfs/dbraw/zinc/55/60/97/1110556097.db2.gz QHTPAMDXKAZSHK-MRVPVSSYSA-N 0 0 344.396 2.429 10 10 EECERN COC(=O)[C@@H](F)CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001479102073 1110660537 /nfs/dbraw/zinc/66/05/37/1110660537.db2.gz IDYOHXBCHFVCQM-INIZCTEOSA-N 0 0 347.390 2.404 10 10 EECERN CC(=O)NCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001509272576 1115780048 /nfs/dbraw/zinc/78/00/48/1115780048.db2.gz MKDLLMSZOKZJOL-UHFFFAOYSA-N 0 0 345.403 2.418 10 10 EECERN C[C@@H](CNC(=O)CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001534213968 1123305201 /nfs/dbraw/zinc/30/52/01/1123305201.db2.gz UGMMKESQXQCBEY-NSHDSACASA-N 0 0 345.403 2.274 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN[C@H](c2ccccc2Cl)C1 ZINC001568017377 1124232388 /nfs/dbraw/zinc/23/23/88/1124232388.db2.gz JQHZLFGAUIXZKA-HNNXBMFYSA-N 0 0 346.814 2.467 10 10 EECERN Cc1ccc(N2C(=O)[C@@H](CN3CCOCC3)SC2=S)c(C)c1 ZINC000020356994 202039247 /nfs/dbraw/zinc/03/92/47/202039247.db2.gz GVSNEVDYHQNVSO-CQSZACIVSA-N 0 0 336.482 2.369 10 10 EECERN CCOc1cccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1O ZINC000119792028 462927496 /nfs/dbraw/zinc/92/74/96/462927496.db2.gz CMUIVWNHBLULJN-MRXNPFEDSA-N 0 0 326.396 2.203 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C(=O)NCC)C1 ZINC000120424793 462998110 /nfs/dbraw/zinc/99/81/10/462998110.db2.gz YIDACWWGIMEKDR-HNNXBMFYSA-N 0 0 348.447 2.118 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CCN(C(C)=O)C[C@@H]2C)cc1 ZINC000268754809 463790492 /nfs/dbraw/zinc/79/04/92/463790492.db2.gz UQFFKIGMQPTAQQ-HNNXBMFYSA-N 0 0 346.475 2.295 10 10 EECERN Cc1cc(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000264621528 464398075 /nfs/dbraw/zinc/39/80/75/464398075.db2.gz NYKJZKCQCLIKHT-UHFFFAOYSA-N 0 0 335.429 2.203 10 10 EECERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000175730484 464611084 /nfs/dbraw/zinc/61/10/84/464611084.db2.gz ZLNCURAZQUXJSQ-AWEZNQCLSA-N 0 0 346.410 2.126 10 10 EECERN COc1cc2c(cc1OC)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC000370032081 466765234 /nfs/dbraw/zinc/76/52/34/466765234.db2.gz JHSYLJYAWPDVAY-UHFFFAOYSA-N 0 0 343.379 2.356 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@@H]2COc3ccc(F)cc3C2)c1 ZINC000378108901 534200506 /nfs/dbraw/zinc/20/05/06/534200506.db2.gz HPAHLSAZMZQIRH-AWEZNQCLSA-N 0 0 346.358 2.343 10 10 EECERN COCCOc1ncccc1NC(=O)NCc1cc(OC)ccc1O ZINC000734062549 577275205 /nfs/dbraw/zinc/27/52/05/577275205.db2.gz SYWGSSRBLUBMDF-UHFFFAOYSA-N 0 0 347.371 2.143 10 10 EECERN C[C@@H]1CCCN1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000770243500 577592952 /nfs/dbraw/zinc/59/29/52/577592952.db2.gz VJDQYEWAADBQTL-CQSZACIVSA-N 0 0 337.489 2.446 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C\c2cn(C)nc2CC)c2ccccc21 ZINC000770568174 577599110 /nfs/dbraw/zinc/59/91/10/577599110.db2.gz ARPUDQKITDZFJD-GDNBJRDFSA-N 0 0 339.395 2.433 10 10 EECERN COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000758169022 577617346 /nfs/dbraw/zinc/61/73/46/577617346.db2.gz KHPGODDQPNNRNY-UHFFFAOYSA-N 0 0 339.344 2.048 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000763216331 577716984 /nfs/dbraw/zinc/71/69/84/577716984.db2.gz DCZWKGCRPGGYTF-MPGHIAIKSA-N 0 0 347.459 2.308 10 10 EECERN COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccc2O)cc1 ZINC000751148920 577748630 /nfs/dbraw/zinc/74/86/30/577748630.db2.gz CDRGBYOBFDDWFD-DHZHZOJOSA-N 0 0 347.392 2.057 10 10 EECERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](O)C1CCOCC1 ZINC000746172368 577923512 /nfs/dbraw/zinc/92/35/12/577923512.db2.gz LIODTBBYAYNFFK-GOSISDBHSA-N 0 0 332.444 2.081 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCOC(C)(C)C ZINC000746726996 577933080 /nfs/dbraw/zinc/93/30/80/577933080.db2.gz HSFRYSPNCCROAM-UHFFFAOYSA-N 0 0 349.475 2.480 10 10 EECERN CCN(C[C@H](O)COC[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000747682170 577948239 /nfs/dbraw/zinc/94/82/39/577948239.db2.gz RXEYWOPDLOHBFD-HOTGVXAUSA-N 0 0 339.432 2.087 10 10 EECERN O=C(CCc1cnccn1)NCc1cc(Br)ccc1O ZINC000804738569 675611686 /nfs/dbraw/zinc/61/16/86/675611686.db2.gz UZEHQQALEXPBGK-UHFFFAOYSA-N 0 0 336.189 2.194 10 10 EECERN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841138056 681230817 /nfs/dbraw/zinc/23/08/17/681230817.db2.gz QWVDUNFUALNKEY-UWVGGRQHSA-N 0 0 329.322 2.397 10 10 EECERN Cc1nn(C)c(C)c1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000126560115 682556873 /nfs/dbraw/zinc/55/68/73/682556873.db2.gz LIJFIRZRXIWRSO-UHFFFAOYSA-N 0 0 343.475 2.487 10 10 EECERN CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000895614087 684663578 /nfs/dbraw/zinc/66/35/78/684663578.db2.gz IHVLNHNVSZIWSA-UHFFFAOYSA-N 0 0 348.415 2.011 10 10 EECERN COCCCOCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897306381 686668583 /nfs/dbraw/zinc/66/85/83/686668583.db2.gz ZNSJQAWGERQAQO-UHFFFAOYSA-N 0 0 339.413 2.438 10 10 EECERN COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 ZINC000322019817 690562776 /nfs/dbraw/zinc/56/27/76/690562776.db2.gz QMKBZIOIYMKDIP-UHFFFAOYSA-N 0 0 335.381 2.217 10 10 EECERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[S@](=O)C1 ZINC000897571816 691627420 /nfs/dbraw/zinc/62/74/20/691627420.db2.gz YWBVERCKAVJSJH-CLTRCRFRSA-N 0 0 339.438 2.153 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC(O)(C(F)F)CC2)cc1 ZINC001625818612 1176306673 /nfs/dbraw/zinc/30/66/73/1176306673.db2.gz TVDMKNCHMSNUMY-UHFFFAOYSA-N 0 0 326.303 2.081 10 10 EECERN Oc1cc2c(cc1CN1CCS[C@@H](C(F)(F)F)C1)[C@@H](O)CO2 ZINC000905705463 1189875340 /nfs/dbraw/zinc/87/53/40/1189875340.db2.gz NQEAYDMNKHDLKO-WCQYABFASA-N 0 0 335.347 2.298 10 10 EECERN Cc1cnc(F)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000864930649 1198003829 /nfs/dbraw/zinc/00/38/29/1198003829.db2.gz FJSVCDPGLYHEJH-UHFFFAOYSA-N 0 0 347.365 2.435 10 10 EECERN CO[C@@H]1CN2C(=O)N(Cc3ccc(N(C)C)cc3C)C(=O)[C@@]2(C)C1 ZINC000865302967 1198160184 /nfs/dbraw/zinc/16/01/84/1198160184.db2.gz AYRJJOAZZKNDCK-MAUKXSAKSA-N 0 0 331.416 2.003 10 10 EECERN O=C(NCCCSc1nccs1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000812153449 1200546457 /nfs/dbraw/zinc/54/64/57/1200546457.db2.gz CCQDRKABRKXGFJ-SNVBAGLBSA-N 0 0 337.474 2.205 10 10 EECERN O=C(c1ccccc1CN1CCOCC1)N1Cc2cccc(O)c2C1 ZINC000871203093 1201098565 /nfs/dbraw/zinc/09/85/65/1201098565.db2.gz SBBNFCQLKGROPP-UHFFFAOYSA-N 0 0 338.407 2.380 10 10 EECERN O=C(c1ccccc1)N1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871207336 1201100409 /nfs/dbraw/zinc/10/04/09/1201100409.db2.gz NMNYWHHXVMSNBK-INIZCTEOSA-N 0 0 336.391 2.397 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000074261722 1201275664 /nfs/dbraw/zinc/27/56/64/1201275664.db2.gz RPGCAHHVJFJQSD-NSHDSACASA-N 0 0 346.431 2.182 10 10 EECERN CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc(Cl)c1[O-] ZINC000866520843 1201539327 /nfs/dbraw/zinc/53/93/27/1201539327.db2.gz IPBTZMXVRZWUJN-CJNGLKHVSA-N 0 0 340.807 2.308 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000866767172 1201601269 /nfs/dbraw/zinc/60/12/69/1201601269.db2.gz LEIJGYVSDPGZLW-ZMZPIMSZSA-N 0 0 335.400 2.385 10 10 EECERN O=S(=O)(c1ccc2c(c1)CCCO2)N1Cc2cccc(O)c2C1 ZINC000867690187 1201659954 /nfs/dbraw/zinc/65/99/54/1201659954.db2.gz CCUKIUUJFHECKL-UHFFFAOYSA-N 0 0 331.393 2.422 10 10 EECERN O=S(=O)(c1cnn(C2CCCC2)c1)N1Cc2cccc(O)c2C1 ZINC000867690983 1201659959 /nfs/dbraw/zinc/65/99/59/1201659959.db2.gz PGRUYFMXQGGWNL-UHFFFAOYSA-N 0 0 333.413 2.408 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1)c1ccccc1O ZINC000868689733 1201859937 /nfs/dbraw/zinc/85/99/37/1201859937.db2.gz SBYGPTUGGPHZIF-HEHGZKQESA-N 0 0 344.415 2.406 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H](C)O[C@@H]3C)CC2)cc1 ZINC000868897100 1201900800 /nfs/dbraw/zinc/90/08/00/1201900800.db2.gz NGGPDMAJZYNPLM-HDMKZQKVSA-N 0 0 347.459 2.483 10 10 EECERN O=C(/C=C\COC1CCOCC1)NCc1ccc2cccnc2c1O ZINC000868936391 1201908778 /nfs/dbraw/zinc/90/87/78/1201908778.db2.gz BSTBLZYCCZOODU-RQOWECAXSA-N 0 0 342.395 2.308 10 10 EECERN COCc1ccc([C@H]2COCCN2C(=O)c2cccc(O)c2O)o1 ZINC000928519353 1206394772 /nfs/dbraw/zinc/39/47/72/1206394772.db2.gz UWZQABUWRGAWPX-CYBMUJFWSA-N 0 0 333.340 2.051 10 10 EECERN CCn1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000929936372 1206519276 /nfs/dbraw/zinc/51/92/76/1206519276.db2.gz WJYRREDFQWFGOM-UHFFFAOYSA-N 0 0 327.432 2.098 10 10 EECERN CCOC(=O)c1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1C ZINC000930299725 1206547750 /nfs/dbraw/zinc/54/77/50/1206547750.db2.gz BCTXCYOUCOPPEW-UHFFFAOYSA-N 0 0 329.356 2.455 10 10 EECERN COc1ccc(N2CCN(C(=O)CN3CC[C@H](C)[C@H](F)C3)CC2)cc1 ZINC000778231729 1207924956 /nfs/dbraw/zinc/92/49/56/1207924956.db2.gz CXEJUBHDCNODNQ-MAUKXSAKSA-N 0 0 349.450 2.024 10 10 EECERN Cc1cc(Br)c(O)c([C@@H]2NC(=O)[C@H]3CSCCN23)c1 ZINC000781558794 1208019574 /nfs/dbraw/zinc/01/95/74/1208019574.db2.gz ZQQFJYGVALMACC-ZYHUDNBSSA-N 0 0 343.246 2.009 10 10 EECERN COC(=O)c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000779491170 1210395590 /nfs/dbraw/zinc/39/55/90/1210395590.db2.gz KAUYQERWQKNWAF-UITAMQMPSA-N 0 0 327.336 2.214 10 10 EECERN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(-n2ccnn2)cc1 ZINC000089758749 1212021826 /nfs/dbraw/zinc/02/18/26/1212021826.db2.gz LBNRIAFZRGIBQN-UHFFFAOYSA-N 0 0 349.394 2.356 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000305297935 1216166048 /nfs/dbraw/zinc/16/60/48/1216166048.db2.gz GZAQLYZEVWVOQN-DZGCQCFKSA-N 0 0 327.384 2.483 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3[nH]c(CO)nc32)c1 ZINC001137473793 1248708736 /nfs/dbraw/zinc/70/87/36/1248708736.db2.gz WIMDGGGJOCBSKE-JTQLQIEISA-N 0 0 341.367 2.260 10 10 EECERN O=C(COc1ccsc1)NCc1ccc(N2CCOCC2)cc1 ZINC000800328483 1234047349 /nfs/dbraw/zinc/04/73/49/1234047349.db2.gz OJMPEVWVVRPSKT-UHFFFAOYSA-N 0 0 332.425 2.280 10 10 EECERN C/C=C\[C@H](O)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000901056075 1235168954 /nfs/dbraw/zinc/16/89/54/1235168954.db2.gz CULLOADWWAUOCL-DXTPNHAXSA-N 0 0 328.206 2.440 10 10 EECERN C[C@@H]1CN(Cc2ccc3ccccc3c2O)CCN1S(C)(=O)=O ZINC000827267032 1238880182 /nfs/dbraw/zinc/88/01/82/1238880182.db2.gz VJTFZVBJBWRAFN-CYBMUJFWSA-N 0 0 334.441 2.011 10 10 EECERN Cc1cc(CC(=O)N[C@@H](C)C(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000827526198 1248373264 /nfs/dbraw/zinc/37/32/64/1248373264.db2.gz JKMQAZSKLGJASV-AWEZNQCLSA-N 0 0 327.428 2.230 10 10 EECERN CCc1nnc([C@H](C)N2CCN(c3ccc(OC)c(F)c3)CC2)[nH]1 ZINC000851808065 1291850778 /nfs/dbraw/zinc/85/07/78/1291850778.db2.gz KLNCOTCOXVSMME-LBPRGKRZSA-N 0 0 333.411 2.398 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C4CC4)C3)C2)cc1 ZINC000852451991 1292117393 /nfs/dbraw/zinc/11/73/93/1292117393.db2.gz SERUGNXSFSTCCB-CRAIPNDOSA-N 0 0 345.443 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@](C)(OC)C3)C2)cc1 ZINC000852451335 1292117905 /nfs/dbraw/zinc/11/79/05/1292117905.db2.gz IINPMVHBJKFAAC-DNVCBOLYSA-N 0 0 347.459 2.484 10 10 EECERN C[C@@H]1COC2(CCCC2)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852636892 1292150087 /nfs/dbraw/zinc/15/00/87/1292150087.db2.gz OUPFHGBCCGAINI-MRXNPFEDSA-N 0 0 345.487 2.402 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](SC)C3)C2)cc1 ZINC000854298225 1292710361 /nfs/dbraw/zinc/71/03/61/1292710361.db2.gz YMIIDASAJQIGLJ-CJNGLKHVSA-N 0 0 335.473 2.421 10 10 EECERN COCCCOCCC(=O)NCc1cc(Br)ccc1O ZINC000854442514 1292785871 /nfs/dbraw/zinc/78/58/71/1292785871.db2.gz SUBKQAKCCWVLPS-UHFFFAOYSA-N 0 0 346.221 2.214 10 10 EECERN CNC(=O)[C@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000854963665 1293003191 /nfs/dbraw/zinc/00/31/91/1293003191.db2.gz VLXCDVDZZYBCAR-INIZCTEOSA-N 0 0 339.439 2.231 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)c3cnn(C)c3)C2)cc1 ZINC000855225557 1293117401 /nfs/dbraw/zinc/11/74/01/1293117401.db2.gz KTBGQLRQICRYJZ-OAHLLOKOSA-N 0 0 342.443 2.101 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(Cl)cnn3C)C2)cc1 ZINC000855226234 1293118988 /nfs/dbraw/zinc/11/89/88/1293118988.db2.gz OKMLBBNQMJWOGY-NSHDSACASA-N 0 0 334.807 2.091 10 10 EECERN COC(=O)CCCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227864 1293119965 /nfs/dbraw/zinc/11/99/65/1293119965.db2.gz QOYZCYQQZIOGMN-CQSZACIVSA-N 0 0 334.416 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)c3ccccc3)C2)cc1 ZINC000855229935 1293121242 /nfs/dbraw/zinc/12/12/42/1293121242.db2.gz CYHVGEZJWOCQEM-CRAIPNDOSA-N 0 0 326.396 2.124 10 10 EECERN CNc1ncc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000857302367 1293787583 /nfs/dbraw/zinc/78/75/83/1293787583.db2.gz OWADNJJJCUOVOT-LLVKDONJSA-N 0 0 332.429 2.202 10 10 EECERN CN(C)c1ccc(CNC(c2ccnn2C)c2ccnn2C)cc1F ZINC000858321552 1294082067 /nfs/dbraw/zinc/08/20/67/1294082067.db2.gz IWXCOABAXZWOIB-UHFFFAOYSA-N 0 0 342.422 2.238 10 10 EECERN C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)c(F)cc1[O-] ZINC000858523871 1294143136 /nfs/dbraw/zinc/14/31/36/1294143136.db2.gz XPMDXXCUIHFVQV-NXEZZACHSA-N 0 0 347.228 2.275 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@H](C)O[C@H](C)[C@H]3C)C2)cc1 ZINC000858598315 1294163563 /nfs/dbraw/zinc/16/35/63/1294163563.db2.gz CTKWIFGGNFWSFR-AZSHCRGASA-N 0 0 347.459 2.385 10 10 EECERN COc1ccc2c(c1)CC[C@H]2C(=O)NCCc1ccc(O)c(O)c1 ZINC000860235169 1294884185 /nfs/dbraw/zinc/88/41/85/1294884185.db2.gz PPYKWKRXSIIMNB-MRXNPFEDSA-N 0 0 327.380 2.495 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3cnn(CCF)c3)C2)cc1 ZINC000861476003 1295418544 /nfs/dbraw/zinc/41/85/44/1295418544.db2.gz HPTSRJZBWJRIDY-ZDUSSCGKSA-N 0 0 347.394 2.262 10 10 EECERN Cc1cccc2c1C[C@H](NC(=O)NCCc1ccc(N)cc1)CO2 ZINC000861640397 1295485920 /nfs/dbraw/zinc/48/59/20/1295485920.db2.gz KPWAVFQTWUTPFR-INIZCTEOSA-N 0 0 325.412 2.423 10 10 EECERN Cc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(C3CC3)n2)c1 ZINC000862025018 1295658935 /nfs/dbraw/zinc/65/89/35/1295658935.db2.gz KYFNKYPVSNERIX-UHFFFAOYSA-N 0 0 325.368 2.228 10 10 EECERN COc1ccc(COCC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000862130675 1295712871 /nfs/dbraw/zinc/71/28/71/1295712871.db2.gz KVAJKXAHGKTBEH-UHFFFAOYSA-N 0 0 336.775 2.282 10 10 EECERN COc1cc(OC)c2c(c1)N(C(=O)/C=C/c1cnccn1)CCC2 ZINC000862776355 1295959207 /nfs/dbraw/zinc/95/92/07/1295959207.db2.gz WYYLTWWUNNJSJT-AATRIKPKSA-N 0 0 325.368 2.486 10 10 EECERN COc1ccc(CNC(=O)c2c(Cl)nn(C)c2Cl)c(O)c1 ZINC001139032978 1314691418 /nfs/dbraw/zinc/69/14/18/1314691418.db2.gz UVNUKHAUCLNDFS-UHFFFAOYSA-N 0 0 330.171 2.371 10 10 EECERN COc1ccc(N2CC[C@@H](COC(=O)COC3CCOCC3)C2)cc1 ZINC000842877915 1315790051 /nfs/dbraw/zinc/79/00/51/1315790051.db2.gz FFWMFAOUFGGJNW-OAHLLOKOSA-N 0 0 349.427 2.260 10 10 EECERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1(C(N)=O)CCCC1 ZINC001151291741 1316497622 /nfs/dbraw/zinc/49/76/22/1316497622.db2.gz GMLVVPHLBLEJOK-UHFFFAOYSA-N 0 0 334.397 2.183 10 10 EECERN CC[C@@H](c1ccncc1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001261860225 1322188895 /nfs/dbraw/zinc/18/88/95/1322188895.db2.gz RIGXRRSWBIHUMA-INIZCTEOSA-N 0 0 339.395 2.239 10 10 EECERN CC(=O)N(CCC(=O)NCc1cccc(O)c1O)Cc1ccccc1 ZINC001263894624 1322549160 /nfs/dbraw/zinc/54/91/60/1322549160.db2.gz ONCIEQNWCKNBHL-UHFFFAOYSA-N 0 0 342.395 2.153 10 10 EECERN CN(CCNC(=O)CCC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284506810 1326590636 /nfs/dbraw/zinc/59/06/36/1326590636.db2.gz YIWGGXDTSGCQIT-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN COc1cc(CN(C)C(=O)Cc2ccc(O)c(O)c2)cc(OC)c1 ZINC001290728195 1328250240 /nfs/dbraw/zinc/25/02/40/1328250240.db2.gz FLEMNVODLHPEOT-UHFFFAOYSA-N 0 0 331.368 2.316 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/SC ZINC001295590915 1329824236 /nfs/dbraw/zinc/82/42/36/1329824236.db2.gz SXDKZJJWDWAYLU-AATRIKPKSA-N 0 0 329.805 2.424 10 10 EECERN Cc1cc(CC(=O)NCc2ccc(=O)[nH]n2)c(C)n1-c1ccccc1 ZINC001298300665 1330054544 /nfs/dbraw/zinc/05/45/44/1330054544.db2.gz SVVGCEMLHZEFNX-UHFFFAOYSA-N 0 0 336.395 2.449 10 10 EECERN O=C(NCc1c(O)cccc1O)C1([C@@H]2CCCCO2)CCOCC1 ZINC001304053739 1331375411 /nfs/dbraw/zinc/37/54/11/1331375411.db2.gz REWGAWMPMGAKBL-INIZCTEOSA-N 0 0 335.400 2.080 10 10 EECERN CCOc1ccc(N2CCN(C[C@H]3CN(C4CC4)C(=O)O3)CC2)cc1 ZINC001326706648 1334146845 /nfs/dbraw/zinc/14/68/45/1334146845.db2.gz GVYGAKOLGSKRAF-SFHVURJKSA-N 0 0 345.443 2.191 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](Nc3ncccn3)C2)cc1OC ZINC001326748607 1334153990 /nfs/dbraw/zinc/15/39/90/1334153990.db2.gz FPJXXDBMLMPPLS-LLVKDONJSA-N 0 0 345.359 2.093 10 10 EECERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329422101 1334646574 /nfs/dbraw/zinc/64/65/74/1334646574.db2.gz JCYQESQQYCMCDT-XJKCOSOUSA-N 0 0 328.412 2.414 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@@H](C[C@@H]2CCOC2)C(=O)[O-])cc1F ZINC001329682583 1334696328 /nfs/dbraw/zinc/69/63/28/1334696328.db2.gz QYJMXOSYQZEDAA-HZMBPMFUSA-N 0 0 328.359 2.000 10 10 EECERN CC1(C)CC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001331549991 1335035823 /nfs/dbraw/zinc/03/58/23/1335035823.db2.gz RVIDMNFQILSOOY-QGZVFWFLSA-N 0 0 343.471 2.441 10 10 EECERN CC1(C)CC(=O)NCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC001332012383 1335705748 /nfs/dbraw/zinc/70/57/48/1335705748.db2.gz RSUPOIICBLKPPG-UHFFFAOYSA-N 0 0 327.222 2.255 10 10 EECERN CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCc2ccccc21 ZINC001351817647 1337853104 /nfs/dbraw/zinc/85/31/04/1337853104.db2.gz WQUOQUDXHQRVBG-QGZVFWFLSA-N 0 0 336.391 2.380 10 10 EECERN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(CO)OC)c1O ZINC000848556202 1338720948 /nfs/dbraw/zinc/72/09/48/1338720948.db2.gz PVASXIYNYQFYDU-XPTSAGLGSA-N 0 0 348.237 2.211 10 10 EECERN CCc1cccc(CN2CCc3cc(S(=O)(=O)NC)ccc32)c1O ZINC000848904929 1338802545 /nfs/dbraw/zinc/80/25/45/1338802545.db2.gz CPJHCLAINUMRIX-UHFFFAOYSA-N 0 0 346.452 2.425 10 10 EECERN COC(=O)[C@@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cccnc1 ZINC000849321482 1339152731 /nfs/dbraw/zinc/15/27/31/1339152731.db2.gz GCQFISLGHIPPKL-QAPCUYQASA-N 0 0 341.411 2.173 10 10 EECERN CCC[C@H](C)S(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416828 1339156270 /nfs/dbraw/zinc/15/62/70/1339156270.db2.gz XLMRDOBUAQTOGW-KBPBESRZSA-N 0 0 326.462 2.382 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(-c2nc[nH]n2)ccc1F ZINC001618268490 1352348625 /nfs/dbraw/zinc/34/86/25/1352348625.db2.gz DDHKFBRLYGEFKX-UHFFFAOYSA-N 0 0 328.303 2.203 10 10 EECERN O=C(CCc1nnc(-c2ccccc2)o1)NCc1cccc(O)c1O ZINC001558159272 1342466428 /nfs/dbraw/zinc/46/64/28/1342466428.db2.gz CRIZIPFJUYTGDD-UHFFFAOYSA-N 0 0 339.351 2.397 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1)COC(=O)N2 ZINC001566370101 1342571118 /nfs/dbraw/zinc/57/11/18/1342571118.db2.gz MORPSQVTGOTBEK-UHFFFAOYSA-N 0 0 328.324 2.132 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCNC(=O)C2CC=CC2)cc1 ZINC001575761290 1343873120 /nfs/dbraw/zinc/87/31/20/1343873120.db2.gz BOHYMKWVJIXFRE-UHFFFAOYSA-N 0 0 343.387 2.051 10 10 EECERN Cn1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1C=O ZINC001588145250 1348879857 /nfs/dbraw/zinc/87/98/57/1348879857.db2.gz DFEIGWQVIXOZBO-UHFFFAOYSA-N 0 0 339.351 2.374 10 10 EECERN CCc1nc2ccccc2n1CC(=O)NCc1cc(O)ccc1O ZINC001593873420 1349873283 /nfs/dbraw/zinc/87/32/83/1349873283.db2.gz OTSMTOADBODDDN-UHFFFAOYSA-N 0 0 325.368 2.326 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001595751058 1349893744 /nfs/dbraw/zinc/89/37/44/1349893744.db2.gz CXTULWCBWMEDLP-CABCVRRESA-N 0 0 342.351 2.468 10 10 EECERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC001596705191 1349910826 /nfs/dbraw/zinc/91/08/26/1349910826.db2.gz QQCRKHHKFPPRLX-IBEGIYRJSA-N 0 0 348.830 2.362 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCSC1 ZINC001597567563 1349927705 /nfs/dbraw/zinc/92/77/05/1349927705.db2.gz RUUUYPFNCPRNBV-SNVBAGLBSA-N 0 0 343.832 2.300 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCc2c(=O)[nH]cnc2C1 ZINC001625147431 1352441316 /nfs/dbraw/zinc/44/13/16/1352441316.db2.gz CEQMOWGOGSGKAF-UHFFFAOYSA-N 0 0 343.364 2.007 10 10 EECERN COc1ccccc1C1(CNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001626471387 1352463826 /nfs/dbraw/zinc/46/38/26/1352463826.db2.gz OKQJACUZAWEXKF-UHFFFAOYSA-N 0 0 327.380 2.497 10 10 EECERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(O)cc1O ZINC001626833976 1352474514 /nfs/dbraw/zinc/47/45/14/1352474514.db2.gz ROAGDWWUJLQVNJ-JTQLQIEISA-N 0 0 348.786 2.186 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ncc[nH]2)cc1 ZINC001628024913 1352518046 /nfs/dbraw/zinc/51/80/46/1352518046.db2.gz LAXCVDXDQNPICC-UHFFFAOYSA-N 0 0 336.395 2.489 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001628201055 1352525194 /nfs/dbraw/zinc/52/51/94/1352525194.db2.gz ASZIBYHCNVNYAG-GHMZBOCLSA-N 0 0 338.404 2.058 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccncc2)c1 ZINC001638347135 1352687741 /nfs/dbraw/zinc/68/77/41/1352687741.db2.gz DIZJLRXQWNGROR-LBPRGKRZSA-N 0 0 338.367 2.040 10 10 EECERN Cc1nc(-c2ccnc(NC(=O)C=Cc3ccc(O)c(O)c3)c2)n[nH]1 ZINC001638563519 1352689757 /nfs/dbraw/zinc/68/97/57/1352689757.db2.gz LCKNOUAIMLDCMF-HYXAFXHYSA-N 0 0 337.339 2.238 10 10 EECERN COCCCOc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001644753772 1352768361 /nfs/dbraw/zinc/76/83/61/1352768361.db2.gz JIOPGYXHHDFYKR-UHFFFAOYSA-N 0 0 331.368 2.443 10 10 EECERN COc1cccc2c1OCC(C(=O)NCc1c(O)cccc1O)=C2 ZINC001647269798 1353213300 /nfs/dbraw/zinc/21/33/00/1353213300.db2.gz LLNYNRJHOXKWKR-UHFFFAOYSA-N 0 0 327.336 2.199 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CCOCC4(CC4)C3)ccc21 ZINC000782718436 761741154 /nfs/dbraw/zinc/74/11/54/761741154.db2.gz NCPNOLIVEZALDD-UHFFFAOYSA-N 0 0 329.444 2.391 10 10 EECERN COC(=O)c1cc(OCc2noc3c2COCC3)ccc1N(C)C ZINC000918649545 769280616 /nfs/dbraw/zinc/28/06/16/769280616.db2.gz BNLFRUFZDNMHQI-UHFFFAOYSA-N 0 0 332.356 2.179 10 10 EECERN Cc1csc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000184221036 782746986 /nfs/dbraw/zinc/74/69/86/782746986.db2.gz ZIQQKEWXROHPFL-ZDUSSCGKSA-N 0 0 332.473 2.485 10 10 EECERN COC(=O)c1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000907492360 784674310 /nfs/dbraw/zinc/67/43/10/784674310.db2.gz JILPHVULFTYXQQ-JTQLQIEISA-N 0 0 333.413 2.487 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@@H]1OC ZINC000819698778 785646421 /nfs/dbraw/zinc/64/64/21/785646421.db2.gz RVALNPWAMCQUEV-RDJZCZTQSA-N 0 0 349.427 2.489 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cn(C)c(=O)[nH]1 ZINC000819979349 785729441 /nfs/dbraw/zinc/72/94/41/785729441.db2.gz VFAHDCQILVYYFW-UHFFFAOYSA-N 0 0 328.416 2.388 10 10 EECERN CN(C)c1ccc(CN(C(=O)c2nnn(C(C)(C)C)n2)C2CC2)cc1 ZINC000821032469 786566171 /nfs/dbraw/zinc/56/61/71/786566171.db2.gz BWNUIKDQOQMTOG-UHFFFAOYSA-N 0 0 342.447 2.299 10 10 EECERN C[C@@H]1Cc2ccccc2N1CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001136486494 786854017 /nfs/dbraw/zinc/85/40/17/786854017.db2.gz JPFSDZUZIYGAOL-CYBMUJFWSA-N 0 0 326.396 2.208 10 10 EECERN CN1c2ccc(C(=O)NCc3ccc(O)cc3O)cc2C(C)(C)C1=O ZINC000910942953 787145890 /nfs/dbraw/zinc/14/58/90/787145890.db2.gz IXDDHFNCGWVZFS-UHFFFAOYSA-N 0 0 340.379 2.282 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cnc3n2CCOC3)cc1 ZINC000822607159 787284625 /nfs/dbraw/zinc/28/46/25/787284625.db2.gz DUHSBOXKQJAYAZ-UHFFFAOYSA-N 0 0 328.416 2.190 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC001136680606 787608613 /nfs/dbraw/zinc/60/86/13/787608613.db2.gz OFRBRLOKZBOBQB-CYBMUJFWSA-N 0 0 348.349 2.314 10 10 EECERN C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000823292922 787681449 /nfs/dbraw/zinc/68/14/49/787681449.db2.gz UPSVUJJUGABPNK-QAPCUYQASA-N 0 0 332.444 2.345 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1onc2c1CCCC2 ZINC000823295051 787682775 /nfs/dbraw/zinc/68/27/75/787682775.db2.gz BNFLWCFUBWJWQA-UHFFFAOYSA-N 0 0 341.411 2.320 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ncccc3N(C)C)C2)cc1 ZINC000912292330 788090016 /nfs/dbraw/zinc/09/00/16/788090016.db2.gz KYEAGLFDOCFWKZ-CQSZACIVSA-N 0 0 340.427 2.165 10 10 EECERN COC(=O)CN(Cc1cnn2c1CCC2)Cc1cc(Cl)ccc1O ZINC000824767969 788295121 /nfs/dbraw/zinc/29/51/21/788295121.db2.gz CPKZJVJEIRASCE-UHFFFAOYSA-N 0 0 349.818 2.364 10 10 EECERN COC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000843532236 788679496 /nfs/dbraw/zinc/67/94/96/788679496.db2.gz WTZZBECTDMVGOM-BETUJISGSA-N 0 0 336.407 2.235 10 10 EECERN O=C(N1CCCC1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000844257954 788973468 /nfs/dbraw/zinc/97/34/68/788973468.db2.gz UWLFYGLBMTVOLQ-UHFFFAOYSA-N 0 0 329.444 2.214 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC(=O)CC[C@H]3C)C2)cc1 ZINC000923185236 789072923 /nfs/dbraw/zinc/07/29/23/789072923.db2.gz DNTYVJZMPZYJJA-ZIAGYGMSSA-N 0 0 331.416 2.037 10 10 EECERN CCC[C@@H](O)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000923185944 789082425 /nfs/dbraw/zinc/08/24/25/789082425.db2.gz GTUFWBZYNWXNEG-GDBMZVCRSA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cnn(C)c2SC)cc1 ZINC000844856001 789403495 /nfs/dbraw/zinc/40/34/95/789403495.db2.gz KWMMBDULLWMTLB-UHFFFAOYSA-N 0 0 348.472 2.359 10 10 EECERN Cc1cc(C(=O)OCCO[C@@H]2CCOC2)c(C)n1-c1ccccn1 ZINC000922324040 800567927 /nfs/dbraw/zinc/56/79/27/800567927.db2.gz WUJKNAXRSGYJBE-OAHLLOKOSA-N 0 0 330.384 2.451 10 10 EECERN COCC[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805038207 811121049 /nfs/dbraw/zinc/12/10/49/811121049.db2.gz WKUQJLIBOPNOFP-SECBINFHSA-N 0 0 331.210 2.379 10 10 EECERN CC[C@H](COC)NC(=O)NCc1cc(Br)ccc1O ZINC000805143413 811157439 /nfs/dbraw/zinc/15/74/39/811157439.db2.gz JTUAEUGRKFIPGB-LLVKDONJSA-N 0 0 331.210 2.379 10 10 EECERN C[C@H]1COCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805364365 811257923 /nfs/dbraw/zinc/25/79/23/811257923.db2.gz MBVWDKFGCNMJTC-JOYOIKCWSA-N 0 0 343.221 2.379 10 10 EECERN CC(=O)C(=O)COC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000808511934 812682669 /nfs/dbraw/zinc/68/26/69/812682669.db2.gz HCKAAAABGAJHMC-UHFFFAOYSA-N 0 0 329.356 2.014 10 10 EECERN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCC(=O)C(C)=O)O[C@@H](C)C2 ZINC000808515505 812685780 /nfs/dbraw/zinc/68/57/80/812685780.db2.gz ICNQWTFJPVHFEK-VZJVUDMVSA-N 0 0 346.379 2.214 10 10 EECERN Cc1cc(CC(=O)NCc2cncnc2N)c(C)n1-c1ccccc1 ZINC001566360307 1125597060 /nfs/dbraw/zinc/59/70/60/1125597060.db2.gz FVHYFVGYWLKZJA-UHFFFAOYSA-N 0 0 335.411 2.325 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@H]3[C@H](OCC)[C@H]3C)CC2)cc1 ZINC001566562638 1125736534 /nfs/dbraw/zinc/73/65/34/1125736534.db2.gz MSEXJKLBJIMIRD-BMGDILEWSA-N 0 0 332.444 2.405 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1[nH]ncc1Br ZINC001452936229 1105796963 /nfs/dbraw/zinc/79/69/63/1105796963.db2.gz NYYZRSSSNGNRRS-UHFFFAOYSA-N 0 0 330.569 2.461 10 10 EECERN COC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCOCC1 ZINC001453322887 1106123364 /nfs/dbraw/zinc/12/33/64/1106123364.db2.gz UPKKCCGEVVVRNH-AWEZNQCLSA-N 0 0 334.376 2.020 10 10 EECERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](CC(F)(F)F)O1 ZINC001453902513 1106569028 /nfs/dbraw/zinc/56/90/28/1106569028.db2.gz QVNODISRODCTPY-MWLCHTKSSA-N 0 0 333.306 2.209 10 10 EECERN COc1ccc(N2CC[C@H](CNc3nc(N)nc(Cl)c3N)C2)cc1 ZINC001458444937 1109874430 /nfs/dbraw/zinc/87/44/30/1109874430.db2.gz ZNVXOUFQHLUENE-SNVBAGLBSA-N 0 0 348.838 2.241 10 10 EECERN COC(=O)COc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001471194195 1110518913 /nfs/dbraw/zinc/51/89/13/1110518913.db2.gz FNCKXFDZDXUEPT-LBPRGKRZSA-N 0 0 329.352 2.435 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cnc(F)c(Br)c1 ZINC001471642063 1110526580 /nfs/dbraw/zinc/52/65/80/1110526580.db2.gz IHHLBWZOIWNGJX-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN COc1ccc(-n2cc(C(=O)NCc3c(O)cccc3F)nn2)cc1 ZINC001471975722 1110537061 /nfs/dbraw/zinc/53/70/61/1110537061.db2.gz FCEXGYXSHKWRDD-UHFFFAOYSA-N 0 0 342.330 2.051 10 10 EECERN COc1cccc(CNC(=O)NCc2ccc3c(c2)ncn3C)c1O ZINC001479334547 1110682610 /nfs/dbraw/zinc/68/26/10/1110682610.db2.gz GXPAOUZQMIRJNG-UHFFFAOYSA-N 0 0 340.383 2.287 10 10 EECERN CC[C@H](C)C(=O)NCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001505953731 1114297883 /nfs/dbraw/zinc/29/78/83/1114297883.db2.gz ALKUOIKNKZYASD-NSHDSACASA-N 0 0 345.403 2.274 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@H](O)C1 ZINC001511780598 1118247009 /nfs/dbraw/zinc/24/70/09/1118247009.db2.gz UOWIMSXYAHQCSW-ZBFHGGJFSA-N 0 0 330.432 2.480 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COCc1nccn1C ZINC001539469045 1124058293 /nfs/dbraw/zinc/05/82/93/1124058293.db2.gz UAPCWSOIDQOAEU-UHFFFAOYSA-N 0 0 342.443 2.196 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccoc2C2(O)CCOCC2)cc1 ZINC001540494609 1124084463 /nfs/dbraw/zinc/08/44/63/1124084463.db2.gz XXMGEMVUCZJJNC-UHFFFAOYSA-N 0 0 344.411 2.274 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)c1ccc2c(n1)OCCO2 ZINC001543805797 1124135185 /nfs/dbraw/zinc/13/51/85/1124135185.db2.gz MWEHMQOVHHQDBL-UHFFFAOYSA-N 0 0 332.703 2.295 10 10 EECERN O=C(CCc1ccncn1)NCc1cc(Br)ccc1O ZINC000804734948 675610789 /nfs/dbraw/zinc/61/07/89/675610789.db2.gz FMSCHMWHDNUZNY-UHFFFAOYSA-N 0 0 336.189 2.194 10 10 EECERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000191405790 237252883 /nfs/dbraw/zinc/25/28/83/237252883.db2.gz NFAUWESHLVIODH-QAPCUYQASA-N 0 0 332.444 2.297 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](O)[C@H]2CCCO2)c1 ZINC000527756699 317257676 /nfs/dbraw/zinc/25/76/76/317257676.db2.gz FXVLPAMEXMKPRS-CHWSQXEVSA-N 0 0 330.222 2.093 10 10 EECERN CC1(C)CC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)O1 ZINC000278541961 463970051 /nfs/dbraw/zinc/97/00/51/463970051.db2.gz CISXYRBOQGRKKG-SFHVURJKSA-N 0 0 346.471 2.469 10 10 EECERN O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)N1CCOCC1 ZINC000179659923 464168945 /nfs/dbraw/zinc/16/89/45/464168945.db2.gz OTWRNEYRUULOCV-CQSZACIVSA-N 0 0 338.835 2.116 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000174066636 464357802 /nfs/dbraw/zinc/35/78/02/464357802.db2.gz AINBTGYVYBBEAC-CQSZACIVSA-N 0 0 343.402 2.477 10 10 EECERN C[C@H](O)[C@H](NCc1cc(F)ccc1O)C(=O)OCc1ccccc1 ZINC000293947019 464427064 /nfs/dbraw/zinc/42/70/64/464427064.db2.gz ORUWAWBPOUOJST-SJCJKPOMSA-N 0 0 333.359 2.114 10 10 EECERN CC[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1CC(F)F ZINC000181294986 464468756 /nfs/dbraw/zinc/46/87/56/464468756.db2.gz MNQUMNHYZBSGBA-BPJJOFIESA-N 0 0 340.370 2.299 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@H]4OCCC[C@@H]34)ccc21 ZINC000251901649 464946308 /nfs/dbraw/zinc/94/63/08/464946308.db2.gz RAAXVVQEXXMDSD-LZLYRXPVSA-N 0 0 329.444 2.436 10 10 EECERN Cc1n[nH]cc1-c1nnc(NCc2ccc(N(C)C)c(F)c2)s1 ZINC000366655149 465857435 /nfs/dbraw/zinc/85/74/35/465857435.db2.gz COUYTCHEONMIEP-UHFFFAOYSA-N 0 0 332.408 3.054 10 10 EECERN C[C@@H]1[C@H](NC(=O)c2cccc(O)c2O)CC(=O)N1Cc1ccccc1 ZINC000366846366 465970494 /nfs/dbraw/zinc/97/04/94/465970494.db2.gz BLWCUGOZXXTOHX-IUODEOHRSA-N 0 0 340.379 2.017 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112662023 533721862 /nfs/dbraw/zinc/72/18/62/533721862.db2.gz QONRSEKQQVCCKE-ZDUSSCGKSA-N 0 0 341.440 2.492 10 10 EECERN CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1[O-] ZINC000375861339 529207385 /nfs/dbraw/zinc/20/73/85/529207385.db2.gz MYUGFWNZZUZEBR-CVEARBPZSA-N 0 0 336.407 2.352 10 10 EECERN COC(=O)CCCCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729047501 576592567 /nfs/dbraw/zinc/59/25/67/576592567.db2.gz JDDDLHUIQGXBDV-LBPRGKRZSA-N 0 0 338.404 2.494 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC000772944978 577306852 /nfs/dbraw/zinc/30/68/52/577306852.db2.gz DUVIPQZQUDNOAF-GQCTYLIASA-N 0 0 348.355 2.124 10 10 EECERN Cc1cc(Cl)cc(CN2CCN(Cc3cnn(C)c3)CC2)c1O ZINC000775679182 577442679 /nfs/dbraw/zinc/44/26/79/577442679.db2.gz PVBXRUMZQDYKKJ-UHFFFAOYSA-N 0 0 334.851 2.405 10 10 EECERN COc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)nn1C ZINC000775910886 577448594 /nfs/dbraw/zinc/44/85/94/577448594.db2.gz MRHDAFNMRYHXHK-UHFFFAOYSA-N 0 0 330.388 2.335 10 10 EECERN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N(C)Cc2ccccc2O)C1 ZINC000776246249 577455584 /nfs/dbraw/zinc/45/55/84/577455584.db2.gz HDDCAQFEZNWCNY-KGLIPLIRSA-N 0 0 349.431 2.401 10 10 EECERN C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1[O-] ZINC000757658114 577861991 /nfs/dbraw/zinc/86/19/91/577861991.db2.gz VAIHZKNQPNODPL-SWLSCSKDSA-N 0 0 346.406 2.107 10 10 EECERN CCc1cc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)no1 ZINC000740491175 578095930 /nfs/dbraw/zinc/09/59/30/578095930.db2.gz IFDFVLFNMVWWRC-UHFFFAOYSA-N 0 0 344.415 2.338 10 10 EECERN CO[C@H](C)CN(C(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000741081272 578112645 /nfs/dbraw/zinc/11/26/45/578112645.db2.gz RJEMBVTWWRAFIG-MRXNPFEDSA-N 0 0 349.475 2.478 10 10 EECERN Cc1cc(CCNS(=O)(=O)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000735672966 578163168 /nfs/dbraw/zinc/16/31/68/578163168.db2.gz LYVKBWJAWAFOQV-GOSISDBHSA-N 0 0 348.468 2.345 10 10 EECERN C[C@@]1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCCO1 ZINC000914336206 683512185 /nfs/dbraw/zinc/51/21/85/683512185.db2.gz ZGQGWFCDXZDPPT-IBGZPJMESA-N 0 0 347.459 2.282 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](n2ccnn2)C1 ZINC000898010300 691841305 /nfs/dbraw/zinc/84/13/05/691841305.db2.gz BTKWUNISUABIPG-LLVKDONJSA-N 0 0 344.396 2.381 10 10 EECERN CC(=O)NC[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899152516 693635081 /nfs/dbraw/zinc/63/50/81/693635081.db2.gz UWOIBLAPHQKXDC-LBPRGKRZSA-N 0 0 348.424 2.443 10 10 EECERN CCC(=O)NCC(C)(C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486766324 1194237426 /nfs/dbraw/zinc/23/74/26/1194237426.db2.gz XNSPBHUXPFGOHM-UHFFFAOYSA-N 0 0 347.419 2.473 10 10 EECERN COC(=O)c1coc(/C=C\C(=O)NCc2ccc(OC)cc2O)c1 ZINC001626079356 1194326964 /nfs/dbraw/zinc/32/69/64/1194326964.db2.gz AZHYKNANTUNIEN-WAYWQWQTSA-N 0 0 331.324 2.110 10 10 EECERN COC(=O)c1cc(OCc2nc(CC3CC3)no2)ccc1N(C)C ZINC000865395576 1198195140 /nfs/dbraw/zinc/19/51/40/1198195140.db2.gz XHBNYRSRKICKGM-UHFFFAOYSA-N 0 0 331.372 2.454 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1 ZINC000124554578 1198621151 /nfs/dbraw/zinc/62/11/51/1198621151.db2.gz XHDCFKFEWDCXFJ-CMPLNLGQSA-N 0 0 332.404 2.424 10 10 EECERN Cc1nc(-c2ccn(C)n2)sc1CC(=O)NCc1ccccc1O ZINC001545682149 1198934173 /nfs/dbraw/zinc/93/41/73/1198934173.db2.gz TVUAIXRGYLTTOR-UHFFFAOYSA-N 0 0 342.424 2.417 10 10 EECERN CC(C)[C@]1(CO)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000814941587 1199802153 /nfs/dbraw/zinc/80/21/53/1199802153.db2.gz NCVMDYRXCDWPQF-QGZVFWFLSA-N 0 0 349.387 2.161 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)Nc3nn(C)cc3C)C2)cc1 ZINC000826030330 1200328704 /nfs/dbraw/zinc/32/87/04/1200328704.db2.gz WZCQTRHWSOIXHD-CQSZACIVSA-N 0 0 343.431 2.385 10 10 EECERN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000871203640 1201098268 /nfs/dbraw/zinc/09/82/68/1201098268.db2.gz PAGIPTCCOGYEPI-GFCCVEGCSA-N 0 0 345.420 2.442 10 10 EECERN O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871205151 1201099060 /nfs/dbraw/zinc/09/90/60/1201099060.db2.gz PGXTXZURICYJMP-AWEZNQCLSA-N 0 0 343.404 2.196 10 10 EECERN Cc1cnn(-c2c(C(=O)N3Cc4cccc(O)c4C3)c(C)nn2C)c1 ZINC000871204456 1201099208 /nfs/dbraw/zinc/09/92/08/1201099208.db2.gz KGMFSBVASKMIKS-UHFFFAOYSA-N 0 0 337.383 2.084 10 10 EECERN CCn1cc(-c2nn(C)cc2C(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000871205048 1201099822 /nfs/dbraw/zinc/09/98/22/1201099822.db2.gz ULPTXPHDEGFIJQ-UHFFFAOYSA-N 0 0 337.383 2.165 10 10 EECERN COc1ccc(O)c(CNC(=O)Cc2cn3c(C)csc3n2)c1 ZINC000866767092 1201601275 /nfs/dbraw/zinc/60/12/75/1201601275.db2.gz JDQARKQIYWHTJD-UHFFFAOYSA-N 0 0 331.397 2.277 10 10 EECERN CCc1nc(S(=O)(=O)N2Cc3cccc(O)c3C2)cn1CC1CC1 ZINC000867690719 1201660065 /nfs/dbraw/zinc/66/00/65/1201660065.db2.gz LAEZDCHWZXHEGJ-UHFFFAOYSA-N 0 0 347.440 2.266 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H](c1ncccn1)C1CC1 ZINC000925198684 1206082799 /nfs/dbraw/zinc/08/27/99/1206082799.db2.gz LFOQPABEWALAJV-INIZCTEOSA-N 0 0 338.367 2.098 10 10 EECERN COCCn1nc(C)c(NC(=O)N2Cc3cccc(O)c3C2)c1C ZINC000930671765 1206574488 /nfs/dbraw/zinc/57/44/88/1206574488.db2.gz ABDHWJJCKJJXNT-UHFFFAOYSA-N 0 0 330.388 2.400 10 10 EECERN COC(=O)[C@]12C[C@H]1CCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000933168281 1207736405 /nfs/dbraw/zinc/73/64/05/1207736405.db2.gz ZMJWNENEMCMBHN-APWZRJJASA-N 0 0 330.428 2.051 10 10 EECERN COC(=O)C(=O)[C@@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000778289973 1208071424 /nfs/dbraw/zinc/07/14/24/1208071424.db2.gz MYMKQAWWRXGJII-CYBMUJFWSA-N 0 0 329.352 2.382 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-n3ccnc3)ccn2)c1 ZINC000778914320 1208400067 /nfs/dbraw/zinc/40/00/67/1208400067.db2.gz HUPSZYWXFCTKGA-GFCCVEGCSA-N 0 0 338.367 2.473 10 10 EECERN C[C@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000077777549 1209963828 /nfs/dbraw/zinc/96/38/28/1209963828.db2.gz SJUULBJCENDAPT-KGLIPLIRSA-N 0 0 337.489 2.056 10 10 EECERN C[C@@H]1COCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000195347172 1211393789 /nfs/dbraw/zinc/39/37/89/1211393789.db2.gz KSGHESZGXWOSNE-CRAIPNDOSA-N 0 0 332.444 2.154 10 10 EECERN COc1ccc(CNc2ccc(C(=O)NC3CCCC3)nn2)c(O)c1 ZINC000795283575 1212427050 /nfs/dbraw/zinc/42/70/50/1212427050.db2.gz CGFCXKQHIKWMRM-UHFFFAOYSA-N 0 0 342.399 2.475 10 10 EECERN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(S(C)(=O)=O)CC1 ZINC000796492637 1219483407 /nfs/dbraw/zinc/48/34/07/1219483407.db2.gz OBPKYBQABRYDIG-QMMMGPOBSA-N 0 0 348.808 2.009 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCSC[C@H]1CCO ZINC000901131947 1235262818 /nfs/dbraw/zinc/26/28/18/1235262818.db2.gz DPVDGIZXQYUGFK-SNVBAGLBSA-N 0 0 339.438 2.253 10 10 EECERN C[C@@H](NC(=O)NCC(C)(C)[C@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000826947977 1248153874 /nfs/dbraw/zinc/15/38/74/1248153874.db2.gz ZVRLLEWOLGVVMF-KUHUBIRLSA-N 0 0 349.475 2.290 10 10 EECERN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2C)C1 ZINC000827537895 1248414027 /nfs/dbraw/zinc/41/40/27/1248414027.db2.gz PQJMLHWOSMVGML-BBVFFXRHSA-N 0 0 335.407 2.497 10 10 EECERN COc1cc(N(C)C[C@@H](OC)[C@@H]2CCOC2)cc(OC)c1OC ZINC000851784891 1291832031 /nfs/dbraw/zinc/83/20/31/1291832031.db2.gz WMAIRGBPIOPXFZ-MLGOLLRUSA-N 0 0 325.405 2.200 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4OCC[C@@H]4C3)C2)cc1 ZINC000852449016 1292116490 /nfs/dbraw/zinc/11/64/90/1292116490.db2.gz PNVMDRXFWFWIIE-VKJFTORMSA-N 0 0 345.443 2.094 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)C[C@H](C)O)C2)cc1 ZINC000852454532 1292119017 /nfs/dbraw/zinc/11/90/17/1292119017.db2.gz PJZITEPPTXRKEV-GJZGRUSLSA-N 0 0 349.475 2.370 10 10 EECERN CCO[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852454604 1292119057 /nfs/dbraw/zinc/11/90/57/1292119057.db2.gz POJVBXDBURJBHH-QAPCUYQASA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCCO[C@@H]2CC2(F)F)c1 ZINC000852529525 1292127871 /nfs/dbraw/zinc/12/78/71/1292127871.db2.gz HUSZVHZYXSJORS-TVQRCGJNSA-N 0 0 330.331 2.185 10 10 EECERN COC(=O)C=Cc1ccc(N2CCCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000852968501 1292244736 /nfs/dbraw/zinc/24/47/36/1292244736.db2.gz VPRIRCZEWRIOOI-FNORWQNLSA-N 0 0 342.355 2.457 10 10 EECERN CC(C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000853245173 1292339287 /nfs/dbraw/zinc/33/92/87/1292339287.db2.gz VAVAOGSZAFVBEH-MRXNPFEDSA-N 0 0 346.475 2.199 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@H]3CCO)C2)cc1 ZINC000854298347 1292709852 /nfs/dbraw/zinc/70/98/52/1292709852.db2.gz AXGSMANVEZQCFP-RDJZCZTQSA-N 0 0 347.459 2.220 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc(C)nc3C)C2)cc1 ZINC000855224088 1293116897 /nfs/dbraw/zinc/11/68/97/1293116897.db2.gz CWCFUIKNOYHWBK-CQSZACIVSA-N 0 0 326.400 2.111 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)Oc3cccnc3)C2)cc1 ZINC000855232641 1293121964 /nfs/dbraw/zinc/12/19/64/1293121964.db2.gz WCUUCLBHLOGXML-CABCVRRESA-N 0 0 341.411 2.253 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)C[C@H]3C)C2)cc1 ZINC000855233765 1293123368 /nfs/dbraw/zinc/12/33/68/1293123368.db2.gz MKSHTDNDCBFTCR-GLJUWKHASA-N 0 0 330.428 2.395 10 10 EECERN Cc1cc(CC(=O)NCCOC(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000855644703 1293285768 /nfs/dbraw/zinc/28/57/68/1293285768.db2.gz IVHUFBXAKJMCDF-UHFFFAOYSA-N 0 0 343.427 2.451 10 10 EECERN CCOc1ccc(CNC(c2ccnn2C)c2ccnn2C)c(O)c1 ZINC000858321740 1294082419 /nfs/dbraw/zinc/08/24/19/1294082419.db2.gz MKRHYJGLXOWKQV-UHFFFAOYSA-N 0 0 341.415 2.137 10 10 EECERN CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000858509705 1294138719 /nfs/dbraw/zinc/13/87/19/1294138719.db2.gz RVZSLTMQLIZWRS-FZMZJTMJSA-N 0 0 333.384 2.481 10 10 EECERN CCn1ncc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000858543835 1294150243 /nfs/dbraw/zinc/15/02/43/1294150243.db2.gz ONAZVTGLOJRGNF-CQSZACIVSA-N 0 0 344.463 2.103 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)c1 ZINC000862754484 1295951782 /nfs/dbraw/zinc/95/17/82/1295951782.db2.gz ZGGMLWWOIAUZLC-QZTJIDSGSA-N 0 0 327.380 2.474 10 10 EECERN Cc1cc(Br)c(O)c(CN2CCOC[C@]23CCOC3)c1 ZINC000799737872 1305402370 /nfs/dbraw/zinc/40/23/70/1305402370.db2.gz PDHDTKKEIBLFFZ-OAHLLOKOSA-N 0 0 342.233 2.454 10 10 EECERN CC[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1ccccc1F ZINC001118267123 1306329228 /nfs/dbraw/zinc/32/92/28/1306329228.db2.gz VPNUEFYSQSQEDN-KRWDZBQOSA-N 0 0 343.402 2.334 10 10 EECERN COc1cc(COCC(=O)NCc2ccc(N(C)C)c(F)c2)ccn1 ZINC001118869186 1308953700 /nfs/dbraw/zinc/95/37/00/1308953700.db2.gz DQCJWCNYKJUUQJ-UHFFFAOYSA-N 0 0 347.390 2.128 10 10 EECERN C[C@@H](CC(=O)NCc1cccc(O)c1O)NC(=O)C1CCCCC1 ZINC001123887302 1310750854 /nfs/dbraw/zinc/75/08/54/1310750854.db2.gz AINPTQFQSNQIAY-LBPRGKRZSA-N 0 0 334.416 2.189 10 10 EECERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001125090314 1310984881 /nfs/dbraw/zinc/98/48/81/1310984881.db2.gz PEKXQRMUJZMBCT-JKSUJKDBSA-N 0 0 349.342 2.210 10 10 EECERN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC001160759369 1320259873 /nfs/dbraw/zinc/25/98/73/1320259873.db2.gz OTIFTVLLRYIFOC-LLVKDONJSA-N 0 0 348.378 2.429 10 10 EECERN CN(C)c1ccc(CN(C(=O)NCCc2cn(C)cn2)C2CC2)cc1 ZINC000838744023 1315186420 /nfs/dbraw/zinc/18/64/20/1315186420.db2.gz ZNYJUQHDDGEHBO-UHFFFAOYSA-N 0 0 341.459 2.403 10 10 EECERN C[NH+]1CCC2(CC1)CN(Cc1c([O-])ccc(Cl)c1F)CCO2 ZINC000843431395 1315914068 /nfs/dbraw/zinc/91/40/68/1315914068.db2.gz FKGNNDXLOSXAMR-UHFFFAOYSA-N 0 0 328.815 2.481 10 10 EECERN Cn1cc(C(=O)NCCc2ccc(O)c(O)c2)c(-c2ccco2)n1 ZINC001150488934 1316278298 /nfs/dbraw/zinc/27/82/98/1316278298.db2.gz YOODEUATKYKNKH-UHFFFAOYSA-N 0 0 327.340 2.064 10 10 EECERN Cn1ncc(Cl)c1C(=O)NCc1cccc(Br)c1O ZINC001156792760 1318213964 /nfs/dbraw/zinc/21/39/64/1318213964.db2.gz PKUMIAMBHABRDM-UHFFFAOYSA-N 0 0 344.596 2.472 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC001256887026 1318888284 /nfs/dbraw/zinc/88/82/84/1318888284.db2.gz XAIJNRRQHARVSE-ZWKOTPCHSA-N 0 0 337.423 2.041 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)cc1 ZINC001261499044 1322115424 /nfs/dbraw/zinc/11/54/24/1322115424.db2.gz ZJSPEQYDRQFSAG-UHFFFAOYSA-N 0 0 340.427 2.190 10 10 EECERN CC(C)(CNC(=O)C(=O)NCCCSc1nccs1)C1CC1 ZINC001262238160 1322260151 /nfs/dbraw/zinc/26/01/51/1322260151.db2.gz SHMPPARJTTXMGG-UHFFFAOYSA-N 0 0 341.502 2.294 10 10 EECERN CCCCC(=O)N1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001283872386 1326295767 /nfs/dbraw/zinc/29/57/67/1326295767.db2.gz GWHGAAMOLIGXOS-AWEZNQCLSA-N 0 0 345.403 2.370 10 10 EECERN C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@H]1C[C@@H]1C ZINC001284439761 1326556087 /nfs/dbraw/zinc/55/60/87/1326556087.db2.gz QOBBZXMIMBCQCC-WDMOLILDSA-N 0 0 345.403 2.130 10 10 EECERN CC(C)(C)C(=O)NCC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001284991574 1326815699 /nfs/dbraw/zinc/81/56/99/1326815699.db2.gz GLHAGDBWDDPALC-UHFFFAOYSA-N 0 0 345.403 2.083 10 10 EECERN CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001287890425 1327558688 /nfs/dbraw/zinc/55/86/88/1327558688.db2.gz YFQFAJLTPOAZLO-SMDDNHRTSA-N 0 0 345.403 2.368 10 10 EECERN O=C(NCc1cccc(N2CCOC2=O)c1)c1c(F)ccc(O)c1O ZINC001306389699 1331469511 /nfs/dbraw/zinc/46/95/11/1331469511.db2.gz ZZLQRFJXIINOID-UHFFFAOYSA-N 0 0 346.314 2.124 10 10 EECERN CCN(CC)S(=O)(=O)c1ccc(N2Cc3cccc(O)c3C2)nc1 ZINC001329740210 1334706180 /nfs/dbraw/zinc/70/61/80/1334706180.db2.gz IWRLXDHWQVLMOS-UHFFFAOYSA-N 0 0 347.440 2.338 10 10 EECERN CSC1(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CCCCC1 ZINC001333045965 1335953942 /nfs/dbraw/zinc/95/39/42/1335953942.db2.gz QUBOJTLYKJUDKB-UHFFFAOYSA-N 0 0 348.468 2.417 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@]1(C)CC1(F)F ZINC001333855666 1336152099 /nfs/dbraw/zinc/15/20/99/1336152099.db2.gz FGACWNWAKYUXRV-INIZCTEOSA-N 0 0 340.370 2.292 10 10 EECERN C[C@H](CN(C)C(=O)C(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001337458593 1336704453 /nfs/dbraw/zinc/70/44/53/1336704453.db2.gz LUZIBQABPSCKAH-LLVKDONJSA-N 0 0 347.419 2.472 10 10 EECERN CCOC(=O)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC001339067749 1336953170 /nfs/dbraw/zinc/95/31/70/1336953170.db2.gz DRFPUMGZDPMPNQ-CQSZACIVSA-N 0 0 335.381 2.384 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC001347390276 1337508147 /nfs/dbraw/zinc/50/81/47/1337508147.db2.gz QURVMOZXFBJZBF-GGPHIMKMSA-N 0 0 342.439 2.488 10 10 EECERN COCn1nc(C)c(S(=O)(=O)Nc2ccc(O)cc2Cl)c1C ZINC000849307929 1339151831 /nfs/dbraw/zinc/15/18/31/1339151831.db2.gz AZGITAHBQKHVRA-UHFFFAOYSA-N 0 0 345.808 2.264 10 10 EECERN CCc1[nH]c(C(=O)NCc2ccc(O)cc2O)c(C)c1C(=O)OC ZINC001557084985 1342440568 /nfs/dbraw/zinc/44/05/68/1342440568.db2.gz WYAZLZRHDVMGSX-UHFFFAOYSA-N 0 0 332.356 2.013 10 10 EECERN CN(C)C(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001558533561 1342480423 /nfs/dbraw/zinc/48/04/23/1342480423.db2.gz HDKQHTIBOQIOKF-UHFFFAOYSA-N 0 0 329.356 2.121 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC/C=C\CNC(=O)CCCF)cc1 ZINC001583426671 1344899310 /nfs/dbraw/zinc/89/93/10/1344899310.db2.gz CFWSEUIFCISQJV-DVIFNLQASA-N 0 0 349.366 2.001 10 10 EECERN C[C@@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)COc2ccccc2O1 ZINC001585591820 1348807610 /nfs/dbraw/zinc/80/76/10/1348807610.db2.gz FJOZXMSIJJIADL-QRBZPYHOSA-N 0 0 341.363 2.457 10 10 EECERN COC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(O)c1O)C2 ZINC001593620973 1349871007 /nfs/dbraw/zinc/87/10/07/1349871007.db2.gz ICIXQAZNPKUEIS-UHFFFAOYSA-N 0 0 327.336 2.083 10 10 EECERN O=C(CCc1nc(-c2ccsc2)no1)NCc1cc(O)ccc1O ZINC001593869054 1349873316 /nfs/dbraw/zinc/87/33/16/1349873316.db2.gz RIKMPPHUPCPEGS-UHFFFAOYSA-N 0 0 345.380 2.458 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](OCC)C1CCOCC1 ZINC001623579537 1352400436 /nfs/dbraw/zinc/40/04/36/1352400436.db2.gz CVQUTBKGUUIUEG-QGZVFWFLSA-N 0 0 342.432 2.326 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001626838133 1352474977 /nfs/dbraw/zinc/47/49/77/1352474977.db2.gz OEHZJUUTDIKYAW-UHFFFAOYSA-N 0 0 327.296 2.417 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001633507395 1352611612 /nfs/dbraw/zinc/61/16/12/1352611612.db2.gz HXAWNBOYXINNLV-HNNXBMFYSA-N 0 0 330.315 2.046 10 10 EECERN COc1cccc(CNC(=O)c2cn(C)nc2-c2ccco2)c1O ZINC001636061852 1352657330 /nfs/dbraw/zinc/65/73/30/1352657330.db2.gz ZCJLCFKEQOGHGZ-UHFFFAOYSA-N 0 0 327.340 2.324 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1c1nc[nH]n1 ZINC001641970347 1352727501 /nfs/dbraw/zinc/72/75/01/1352727501.db2.gz IGLNATIKONYRLU-VIFPVBQESA-N 0 0 330.369 2.408 10 10 EECERN COc1ccc(C(=O)[N-]C(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC001644183672 1352759499 /nfs/dbraw/zinc/75/94/99/1352759499.db2.gz QAOWKFFKUCAKHF-LBPRGKRZSA-N 0 0 328.368 2.008 10 10 EECERN CN(C)c1ncc(NC(=O)NCCCSc2nccs2)cn1 ZINC000155197598 770593080 /nfs/dbraw/zinc/59/30/80/770593080.db2.gz POGQVWCIHBOAQP-UHFFFAOYSA-N 0 0 338.462 2.303 10 10 EECERN Cc1cc(C(=O)COC(=O)c2cn[nH]n2)c(C)n1-c1ccc(F)cc1 ZINC000805604735 783640642 /nfs/dbraw/zinc/64/06/42/783640642.db2.gz QCAOITGVLWORHM-UHFFFAOYSA-N 0 0 342.330 2.391 10 10 EECERN COc1ccc(O)c(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c1 ZINC000907061618 784360087 /nfs/dbraw/zinc/36/00/87/784360087.db2.gz VHNKYAMAIATUEQ-SNVBAGLBSA-N 0 0 342.606 2.138 10 10 EECERN CCC/C=C\[C@H](O)C(=O)NCc1cccc(Br)c1O ZINC000907759499 784844224 /nfs/dbraw/zinc/84/42/24/784844224.db2.gz ZJLHLYNXDWHFMF-LDJOOVGUSA-N 0 0 328.206 2.488 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC2(C1)CNC(=O)O2 ZINC000817681657 784920328 /nfs/dbraw/zinc/92/03/28/784920328.db2.gz DXIGSTCOGLAZBL-UHFFFAOYSA-N 0 0 339.395 2.337 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)Nc3nncs3)C2)cc1 ZINC000818092550 785180411 /nfs/dbraw/zinc/18/04/11/785180411.db2.gz SVPPIJKWIPEMNL-LLVKDONJSA-N 0 0 333.417 2.195 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1CC1(C(F)(F)F)CC1 ZINC000819170233 785444682 /nfs/dbraw/zinc/44/46/82/785444682.db2.gz ZOZZQBZTWUBEFN-UHFFFAOYSA-N 0 0 328.290 2.499 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)c3cncnc3)C2)cc1 ZINC000819589042 785597931 /nfs/dbraw/zinc/59/79/31/785597931.db2.gz PZZGGVHFPUKKHR-HUUCEWRRSA-N 0 0 340.427 2.231 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3cn(C)nc3Cl)C2)cc1 ZINC000819591308 785600019 /nfs/dbraw/zinc/60/00/19/785600019.db2.gz QUURZJJMGNHPHQ-GFCCVEGCSA-N 0 0 348.834 2.338 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ncc(C)cc1O ZINC000819696872 785645159 /nfs/dbraw/zinc/64/51/59/785645159.db2.gz GQRCVKYOHNGSED-UHFFFAOYSA-N 0 0 344.367 2.007 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)COc1ccsc1 ZINC000819697680 785646329 /nfs/dbraw/zinc/64/63/29/785646329.db2.gz BBNZQWLYAKILQC-UHFFFAOYSA-N 0 0 349.408 2.424 10 10 EECERN Cn1nccc1C1=CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000804198088 786383767 /nfs/dbraw/zinc/38/37/67/786383767.db2.gz IJFUTDDMDOEURK-HYXAFXHYSA-N 0 0 325.368 2.160 10 10 EECERN COc1ccc(N2CCN([C@@H]3CCN(C(C)(C)C)C3=O)CC2)cc1F ZINC000822679906 787336296 /nfs/dbraw/zinc/33/62/96/787336296.db2.gz CILMFZDMEUYLFS-MRXNPFEDSA-N 0 0 349.450 2.356 10 10 EECERN CC1(C)CC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000822938770 787471038 /nfs/dbraw/zinc/47/10/38/787471038.db2.gz XDFQZMOEFPPVEN-DOTOQJQBSA-N 0 0 343.471 2.441 10 10 EECERN CO[C@H]1COCC[C@@H]1CC(=O)NCCCSc1nccs1 ZINC000823297641 787686138 /nfs/dbraw/zinc/68/61/38/787686138.db2.gz FPRAFZIYDBBZLV-NEPJUHHUSA-N 0 0 330.475 2.183 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCO[C@H]3C3CC3)C2)cc1 ZINC000923187271 789086967 /nfs/dbraw/zinc/08/69/67/789086967.db2.gz WSSXAKBFOIFUIX-QGTPRVQTSA-N 0 0 345.443 2.141 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cn(C)nc2Cl)cc1 ZINC000844857520 789403136 /nfs/dbraw/zinc/40/31/36/789403136.db2.gz YYAIACLKYAHMTC-UHFFFAOYSA-N 0 0 336.823 2.291 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000845229485 789682385 /nfs/dbraw/zinc/68/23/85/789682385.db2.gz HACWAUPWXHURFK-SNVBAGLBSA-N 0 0 341.157 2.017 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCc1cccnc1-n1ccnc1 ZINC000046099252 789839838 /nfs/dbraw/zinc/83/98/38/789839838.db2.gz WUYUIPYEDVQOKH-UHFFFAOYSA-N 0 0 337.383 2.315 10 10 EECERN CN(C)C(=O)CN(Cc1cc2c(cc1O)CCC2)CC(F)(F)F ZINC000917446768 798228272 /nfs/dbraw/zinc/22/82/72/798228272.db2.gz GUYODJYWMFXKQP-UHFFFAOYSA-N 0 0 330.350 2.333 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001176755163 798570397 /nfs/dbraw/zinc/57/03/97/798570397.db2.gz NHOJMBFWXPCQKA-HNNXBMFYSA-N 0 0 348.305 2.185 10 10 EECERN CCN(CC)c1ccc(CN[C@H](C(=O)OC)c2ccn(C)n2)cc1F ZINC000787438660 807120649 /nfs/dbraw/zinc/12/06/49/807120649.db2.gz SRLKHPWRSGAORA-KRWDZBQOSA-N 0 0 348.422 2.409 10 10 EECERN CC(=O)N1CC(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000788139616 807391271 /nfs/dbraw/zinc/39/12/71/807391271.db2.gz MCXLLJDOMXQODX-UHFFFAOYSA-N 0 0 339.439 2.231 10 10 EECERN CSc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1C ZINC000790536486 808759144 /nfs/dbraw/zinc/75/91/44/808759144.db2.gz DQFGDIDMVCXFEI-UHFFFAOYSA-N 0 0 330.457 2.454 10 10 EECERN CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000790619336 808848147 /nfs/dbraw/zinc/84/81/47/808848147.db2.gz QKVDFUUHGHFZRS-YPMHNXCESA-N 0 0 346.265 2.402 10 10 EECERN O=S(=O)(NCc1ccccc1O)c1cccnc1C(F)(F)F ZINC000805009939 811118238 /nfs/dbraw/zinc/11/82/38/811118238.db2.gz ZAPVCUVLIRUTBX-UHFFFAOYSA-N 0 0 332.303 2.285 10 10 EECERN COc1ccc(N2CCC(NC(=O)N(C)[C@H]3C[C@@H](OC)C3)CC2)cc1 ZINC000806683222 811961755 /nfs/dbraw/zinc/96/17/55/811961755.db2.gz CNHCSECDJOHQTE-MAEOIBBWSA-N 0 0 347.459 2.483 10 10 EECERN O=C(CCc1ccon1)NCc1cccc(Br)c1O ZINC001448957145 1093967219 /nfs/dbraw/zinc/96/72/19/1093967219.db2.gz DUCMTESZEPZFPG-UHFFFAOYSA-N 0 0 325.162 2.392 10 10 EECERN CC(C)N1C(=O)CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1(C)C ZINC001566144824 1125587603 /nfs/dbraw/zinc/58/76/03/1125587603.db2.gz BOFXGJDJXNQTBJ-UHFFFAOYSA-N 0 0 345.403 2.320 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(N2CCOC2=O)ccc1F ZINC001442033572 1096242201 /nfs/dbraw/zinc/24/22/01/1096242201.db2.gz PNFFJFOURHHUCG-UHFFFAOYSA-N 0 0 346.314 2.375 10 10 EECERN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2nccn2c1 ZINC001447563408 1102869995 /nfs/dbraw/zinc/86/99/95/1102869995.db2.gz ODACFBXCQZXJKI-LBPRGKRZSA-N 0 0 325.368 2.415 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1nc2cnccc2s1 ZINC001455637790 1108766953 /nfs/dbraw/zinc/76/69/53/1108766953.db2.gz WVXDFKGATVTQPP-RQOWECAXSA-N 0 0 327.365 2.432 10 10 EECERN CCCOc1ccc(C(=O)CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001466117706 1110430383 /nfs/dbraw/zinc/43/03/83/1110430383.db2.gz VUVMJPYFRKAIES-UHFFFAOYSA-N 0 0 343.379 2.428 10 10 EECERN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1O ZINC001472063179 1110540813 /nfs/dbraw/zinc/54/08/13/1110540813.db2.gz FBCGKONJGWFQTR-CQSZACIVSA-N 0 0 338.404 2.263 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC001521852710 1119280000 /nfs/dbraw/zinc/28/00/00/1119280000.db2.gz ZKHMFJSRGNVDMS-GHMZBOCLSA-N 0 0 333.306 2.462 10 10 EECERN COC(=O)CN(C(=O)/C(C)=C\c1cccnc1)c1cccc(C)n1 ZINC001538879246 1124038542 /nfs/dbraw/zinc/03/85/42/1124038542.db2.gz IAKBYWDGOVKBLW-RAXLEYEMSA-N 0 0 325.368 2.395 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)c1nnc2ccccc2n1 ZINC001539054705 1124043624 /nfs/dbraw/zinc/04/36/24/1124043624.db2.gz YGZGRYXMXGEYSR-UHFFFAOYSA-N 0 0 326.703 2.467 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc(Cc3nnc[nH]3)cc2)cc1 ZINC001539050727 1124043763 /nfs/dbraw/zinc/04/37/63/1124043763.db2.gz WNNOMRNYNZHECB-UHFFFAOYSA-N 0 0 335.411 2.392 10 10 EECERN CNC(=O)C1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1 ZINC001540567670 1124086879 /nfs/dbraw/zinc/08/68/79/1124086879.db2.gz VZUBJXIHHYEIOE-UHFFFAOYSA-N 0 0 329.444 2.162 10 10 EECERN CC(C)NC(=O)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001541697717 1124107998 /nfs/dbraw/zinc/10/79/98/1124107998.db2.gz PEQQQHVKMLRCMO-UHFFFAOYSA-N 0 0 345.447 2.268 10 10 EECERN CC/C=C(\F)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001542431824 1124113396 /nfs/dbraw/zinc/11/33/96/1124113396.db2.gz ITSGPEOAZMOCLV-INGKJJEOSA-N 0 0 335.423 2.197 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCOC[C@H]2CCCO2)cc1 ZINC001542928371 1124117862 /nfs/dbraw/zinc/11/78/62/1124117862.db2.gz FKNXSPYOHVIDLO-CQSZACIVSA-N 0 0 334.376 2.165 10 10 EECERN CCCN(CC(=O)NC)C(=O)/C=C\c1ccc2c(c1)CCCN2C ZINC000096256273 283095245 /nfs/dbraw/zinc/09/52/45/283095245.db2.gz GTVFGQOMCVBIRQ-NTMALXAHSA-N 0 0 329.444 2.067 10 10 EECERN Cc1cc(N(C)C)ccc1CNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000115521872 237184593 /nfs/dbraw/zinc/18/45/93/237184593.db2.gz HWJWRAFZWGPUJJ-QGZVFWFLSA-N 0 0 341.459 2.424 10 10 EECERN C[C@H]1OCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000191913747 237277849 /nfs/dbraw/zinc/27/78/49/237277849.db2.gz OZFIZMRWPCKXED-DNVCBOLYSA-N 0 0 346.471 2.327 10 10 EECERN COc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000004667578 201056973 /nfs/dbraw/zinc/05/69/73/201056973.db2.gz VFFWENDDWFNSFL-UHFFFAOYSA-N 0 0 328.320 2.496 10 10 EECERN [NH3+][C@@H](CO)c1cc(Br)c(F)c(Br)c1[O-] ZINC000072199912 303449522 /nfs/dbraw/zinc/44/95/22/303449522.db2.gz LQQNGUHHUGOCQA-YFKPBYRVSA-N 0 0 328.963 2.048 10 10 EECERN Cc1cccc2ncnc(NCc3ccc(N4CCNC(=O)C4)cc3)c12 ZINC000170652366 463689874 /nfs/dbraw/zinc/68/98/74/463689874.db2.gz ROLRQBFZTRAYNQ-UHFFFAOYSA-N 0 0 347.422 2.487 10 10 EECERN O=c1c(NCc2ccc(N3CCOCC3)cc2)nccn1C(F)F ZINC000288176396 464034280 /nfs/dbraw/zinc/03/42/80/464034280.db2.gz QTFLDFSXJOZCAS-UHFFFAOYSA-N 0 0 336.342 2.087 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000288851256 464059547 /nfs/dbraw/zinc/05/95/47/464059547.db2.gz AFLFZLMUZUNTLD-WMLDXEAASA-N 0 0 340.489 2.472 10 10 EECERN COc1cccc(CNC(=O)N[C@H]2COc3ccc(F)cc3C2)c1O ZINC000290929727 464137396 /nfs/dbraw/zinc/13/73/96/464137396.db2.gz IWUBAZNVDYRSBX-CQSZACIVSA-N 0 0 346.358 2.343 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cnn(CCC(F)(F)F)c1 ZINC000183645999 464890890 /nfs/dbraw/zinc/89/08/90/464890890.db2.gz MCGDJWKLXKLDBM-UHFFFAOYSA-N 0 0 343.305 2.219 10 10 EECERN COc1ccccc1N1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000268217660 464977571 /nfs/dbraw/zinc/97/75/71/464977571.db2.gz JGLJIXRVWNXYJD-HNNXBMFYSA-N 0 0 341.411 2.479 10 10 EECERN C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000372884413 466628462 /nfs/dbraw/zinc/62/84/62/466628462.db2.gz GEAAYRMHAIMQCJ-LLVKDONJSA-N 0 0 338.429 2.168 10 10 EECERN Cc1c(C)n(C)c2ccc(OC[C@H]3CCN(S(C)(=O)=O)C3)cc12 ZINC000664098881 471637440 /nfs/dbraw/zinc/63/74/40/471637440.db2.gz RBQDFHPZUJYSDM-AWEZNQCLSA-N 0 0 336.457 2.455 10 10 EECERN C[C@@H](NC(=O)N(C)Cc1cc[nH]n1)c1ccc(N2CCOCC2)cc1 ZINC000732675414 577187990 /nfs/dbraw/zinc/18/79/90/577187990.db2.gz UMBYQANTVBYNBX-CQSZACIVSA-N 0 0 343.431 2.149 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000734687064 577318628 /nfs/dbraw/zinc/31/86/28/577318628.db2.gz FQHHKJQDIPPGBJ-UHFFFAOYSA-N 0 0 346.475 2.071 10 10 EECERN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2ccccc2O)C1 ZINC000773585031 577352723 /nfs/dbraw/zinc/35/27/23/577352723.db2.gz ZEVILHUOQXBXDU-GXTWGEPZSA-N 0 0 335.404 2.058 10 10 EECERN C/C=C\C[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OCC ZINC000775117185 577430235 /nfs/dbraw/zinc/43/02/35/577430235.db2.gz ACVJIFFMFPXZKY-RNZFLTOJSA-N 0 0 338.360 2.297 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@H]2CCO)cc1 ZINC000765428845 577500895 /nfs/dbraw/zinc/50/08/95/577500895.db2.gz NTTNTZBXSRHZLX-SFHVURJKSA-N 0 0 328.412 2.318 10 10 EECERN C[C@H](NCc1nnnn1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000766845205 577525757 /nfs/dbraw/zinc/52/57/57/577525757.db2.gz XWAARKMMLLLOBA-AWEZNQCLSA-N 0 0 344.463 2.116 10 10 EECERN C[C@H]1CCCN1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000770243497 577592970 /nfs/dbraw/zinc/59/29/70/577592970.db2.gz VJDQYEWAADBQTL-AWEZNQCLSA-N 0 0 337.489 2.446 10 10 EECERN COc1cc(C)c(C(=O)NCCc2ccc(O)c(O)c2)cc1OC ZINC000762267887 577698444 /nfs/dbraw/zinc/69/84/44/577698444.db2.gz URRDOXBFMVQUFD-UHFFFAOYSA-N 0 0 331.368 2.396 10 10 EECERN Cn1nnc2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc21 ZINC000754226760 577802638 /nfs/dbraw/zinc/80/26/38/577802638.db2.gz SFTDXSUAMAROEU-UHFFFAOYSA-N 0 0 337.383 2.057 10 10 EECERN CCn1cnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000747255949 577941886 /nfs/dbraw/zinc/94/18/86/577941886.db2.gz YEDFUMHZOOQBAO-UHFFFAOYSA-N 0 0 348.472 2.372 10 10 EECERN COc1ccc(O)c(CNC(=O)CSCC(=O)OC(C)(C)C)c1 ZINC000741285591 578116270 /nfs/dbraw/zinc/11/62/70/578116270.db2.gz UXFWAPMZASLLSZ-UHFFFAOYSA-N 0 0 341.429 2.092 10 10 EECERN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@H]2CCC2(F)F)c1 ZINC000866842539 674593471 /nfs/dbraw/zinc/59/34/71/674593471.db2.gz XIVQUIJIMVJOOF-VHSXEESVSA-N 0 0 335.372 2.427 10 10 EECERN CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cccc(F)c1[O-] ZINC000310060059 679814310 /nfs/dbraw/zinc/81/43/10/679814310.db2.gz ZYPSKJWURRZQCV-CYBMUJFWSA-N 0 0 340.395 2.257 10 10 EECERN COC(=O)c1cncc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000178737719 681448718 /nfs/dbraw/zinc/44/87/18/681448718.db2.gz PZRSRZJYXIINBN-UHFFFAOYSA-N 0 0 346.362 2.395 10 10 EECERN CCN(CCC(=O)OC)C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000122527220 683311448 /nfs/dbraw/zinc/31/14/48/683311448.db2.gz YOIXCWDNLMEQFY-UHFFFAOYSA-N 0 0 329.356 2.276 10 10 EECERN COc1ccc(N2CCN(Cc3[nH]nc(C)c3C)CC2)c(OC)c1 ZINC000895454363 684609012 /nfs/dbraw/zinc/60/90/12/684609012.db2.gz KQEZFCFQYFGGQD-UHFFFAOYSA-N 0 0 330.432 2.366 10 10 EECERN O=C(C[C@@H]1CCC2(CCOCC2)CO1)NCCc1ccc(O)c(O)c1 ZINC000897067262 686092971 /nfs/dbraw/zinc/09/29/71/686092971.db2.gz GLAAPRDMXRSCMB-HNNXBMFYSA-N 0 0 349.427 2.122 10 10 EECERN C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCCCC1=O ZINC000897521633 690837343 /nfs/dbraw/zinc/83/73/43/690837343.db2.gz KWRIFFMRJPRQIL-JTQLQIEISA-N 0 0 348.424 2.443 10 10 EECERN C[S@](=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897639519 691724332 /nfs/dbraw/zinc/72/43/32/691724332.db2.gz AMWGQEVPJQESOE-QFIPXVFZSA-N 0 0 339.438 2.344 10 10 EECERN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCc3cc(C)ccc3O)[C@@H]2C1 ZINC000897740716 691776186 /nfs/dbraw/zinc/77/61/86/691776186.db2.gz FIHBTKBIYDURMK-GBOPCIDUSA-N 0 0 332.400 2.088 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@](O)(C(F)F)C1 ZINC000897894790 691814990 /nfs/dbraw/zinc/81/49/90/691814990.db2.gz ULAPWLJEOPRZEQ-AWEZNQCLSA-N 0 0 329.324 2.155 10 10 EECERN C/C(=C/C(=O)NCc1ccc(N2CCNC(=O)C2)c(F)c1)C(C)(C)C ZINC000095403561 692065795 /nfs/dbraw/zinc/06/57/95/692065795.db2.gz FBJYYOHGNGNKIM-LCYFTJDESA-N 0 0 347.434 2.371 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000898720392 693427604 /nfs/dbraw/zinc/42/76/04/693427604.db2.gz IVQYEPQXGDXXHY-KOLCDFICSA-N 0 0 346.408 2.053 10 10 EECERN Cc1onc(-c2cccnc2)c1C(=O)NCc1ccc(O)cc1O ZINC001142533610 1188237868 /nfs/dbraw/zinc/23/78/68/1188237868.db2.gz NGDKFQCFPZHMRL-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN CN1CCCc2cc(CNC(=O)Cc3cnn4c3CCCC4)ccc21 ZINC000865052732 1198064639 /nfs/dbraw/zinc/06/46/39/1198064639.db2.gz DUQXPOLEWHIAPX-UHFFFAOYSA-N 0 0 338.455 2.461 10 10 EECERN COC(=O)c1cc(OCc2ncnn2CC(C)C)ccc1N(C)C ZINC000865395338 1198195176 /nfs/dbraw/zinc/19/51/76/1198195176.db2.gz OWWDWMZWFHRDIN-UHFFFAOYSA-N 0 0 332.404 2.366 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(O[C@@H](C)C(F)(F)F)nc1C ZINC000869795799 1200285637 /nfs/dbraw/zinc/28/56/37/1200285637.db2.gz RACXEYSZKCBEDL-VIFPVBQESA-N 0 0 333.262 2.035 10 10 EECERN Cc1cc(C(=O)NC[C@@H](O)[C@@H](C)O)c(C)n1-c1cccc(Cl)c1 ZINC000871129325 1201064197 /nfs/dbraw/zinc/06/41/97/1201064197.db2.gz PTVPXLAQJCIHTO-MLGOLLRUSA-N 0 0 336.819 2.219 10 10 EECERN CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cccc(Cl)c1[O-] ZINC000866572850 1201551076 /nfs/dbraw/zinc/55/10/76/1201551076.db2.gz RHOHHVXRHITIBP-LBPRGKRZSA-N 0 0 334.869 2.401 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCOC(C)(C)C ZINC000866797037 1201608118 /nfs/dbraw/zinc/60/81/18/1201608118.db2.gz OJLMZPBHLLJANZ-UHFFFAOYSA-N 0 0 328.478 2.296 10 10 EECERN CC/C=C(/F)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000867680334 1201657160 /nfs/dbraw/zinc/65/71/60/1201657160.db2.gz IJRVPYLNUYGUQH-HAVNEIBRSA-N 0 0 333.407 2.235 10 10 EECERN C[C@H](NS(=O)(=O)c1cn(C)nc1C(C)(C)C)c1ccccc1O ZINC000867836053 1201690824 /nfs/dbraw/zinc/69/08/24/1201690824.db2.gz CHHLOGXFPILTII-NSHDSACASA-N 0 0 337.445 2.463 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H](C)O[C@@H]3C)C2)cc1 ZINC000868957086 1201912292 /nfs/dbraw/zinc/91/22/92/1201912292.db2.gz WJPKINPKZBZSCA-ATNYBXOESA-N 0 0 332.444 2.451 10 10 EECERN Cc1cc(=O)cc(C)n1CCCC(=O)NCc1c(O)cccc1F ZINC000928706794 1206413442 /nfs/dbraw/zinc/41/34/42/1206413442.db2.gz VETAFCHWKSDLGI-UHFFFAOYSA-N 0 0 332.375 2.406 10 10 EECERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928711220 1206413913 /nfs/dbraw/zinc/41/39/13/1206413913.db2.gz IGZALOGEHFJNRM-LBPRGKRZSA-N 0 0 336.407 2.432 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CC[C@H](C2CC2)O1 ZINC000929003808 1206436245 /nfs/dbraw/zinc/43/62/45/1206436245.db2.gz PUKMFYUTMFPYBC-GDBMZVCRSA-N 0 0 330.384 2.114 10 10 EECERN C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000159564804 1208480391 /nfs/dbraw/zinc/48/03/91/1208480391.db2.gz LEDOQIIBZQLRPX-RKDXNWHRSA-N 0 0 327.768 2.040 10 10 EECERN Cn1cc(/C=C2/SC(N3CCOCC3)=NC2=O)c(C2CCCC2)n1 ZINC000901442450 1235805718 /nfs/dbraw/zinc/80/57/18/1235805718.db2.gz JXWKBAKXOOUBJT-GXDHUFHOSA-N 0 0 346.456 2.380 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](OC(F)F)C2)cc1 ZINC000801991617 1236621431 /nfs/dbraw/zinc/62/14/31/1236621431.db2.gz VDMSVAKEDRLFJA-HNNXBMFYSA-N 0 0 341.402 2.025 10 10 EECERN COC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000802310787 1237245014 /nfs/dbraw/zinc/24/50/14/1237245014.db2.gz ZRSDSZMGIKIBPU-CBAPKCEASA-N 0 0 338.629 2.466 10 10 EECERN CN(C)c1ccc(CN2CCC(=O)N(C)CC2)c(C(F)(F)F)c1 ZINC000827359709 1247949520 /nfs/dbraw/zinc/94/95/20/1247949520.db2.gz ROZILYMPIIPLDK-UHFFFAOYSA-N 0 0 329.366 2.436 10 10 EECERN Cc1ccccc1C1=NO[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC001137443455 1248460868 /nfs/dbraw/zinc/46/08/68/1248460868.db2.gz QOUKRHUKXLPADS-QGZVFWFLSA-N 0 0 326.352 2.216 10 10 EECERN C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CO1 ZINC000827617751 1248497050 /nfs/dbraw/zinc/49/70/50/1248497050.db2.gz MDNATWZKYRRPGL-KWQFWETISA-N 0 0 329.194 2.131 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4[C@@H](C3)C4(F)F)C2)cc1 ZINC000852449000 1292116989 /nfs/dbraw/zinc/11/69/89/1292116989.db2.gz PGJYCGYTYWCWOX-TUKIKUTGSA-N 0 0 337.370 2.180 10 10 EECERN CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H](C)O1 ZINC000852455928 1292118382 /nfs/dbraw/zinc/11/83/82/1292118382.db2.gz WPOUQLKFBGCBOD-HLLBOEOZSA-N 0 0 347.459 2.483 10 10 EECERN O=C(NCCCSc1nccs1)N1CC[C@H](O)C(F)(F)C1 ZINC000853856307 1292491278 /nfs/dbraw/zinc/49/12/78/1292491278.db2.gz XXGGIFWRNRHDCR-VIFPVBQESA-N 0 0 337.417 2.037 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H]3CCO)C2)cc1 ZINC000854008946 1292580691 /nfs/dbraw/zinc/58/06/91/1292580691.db2.gz XAYPDBKVUKHSDN-RVKKMQEKSA-N 0 0 347.459 2.124 10 10 EECERN Cc1cc(CC(=O)N2CC[C@H](CC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000854484419 1292803545 /nfs/dbraw/zinc/80/35/45/1292803545.db2.gz PPQPUFVNHPXSMN-MRXNPFEDSA-N 0 0 339.439 2.361 10 10 EECERN COCc1ncsc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223004 1293116385 /nfs/dbraw/zinc/11/63/85/1293116385.db2.gz AQFQQYULEJNPCE-LBPRGKRZSA-N 0 0 347.440 2.307 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)Cc3cnn(C)c3)C2)cc1 ZINC000855227123 1293119817 /nfs/dbraw/zinc/11/98/17/1293119817.db2.gz VYFVDGMSCPBGGV-GOEBONIOSA-N 0 0 342.443 2.002 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc[nH]c3=S)C2)cc1 ZINC000855230845 1293120837 /nfs/dbraw/zinc/12/08/37/1293120837.db2.gz FHDGDIMSDOQGCF-GFCCVEGCSA-N 0 0 329.425 2.388 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC34CCOCC4)C2)cc1 ZINC000855231675 1293122254 /nfs/dbraw/zinc/12/22/54/1293122254.db2.gz NGCLKVYINDVOQD-PBHICJAKSA-N 0 0 330.428 2.207 10 10 EECERN COc1ccc(O)c(CN[C@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000857058303 1293709838 /nfs/dbraw/zinc/70/98/38/1293709838.db2.gz LCHOSYZHQAUJQK-INIZCTEOSA-N 0 0 333.409 2.160 10 10 EECERN CNc1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000858342677 1294089888 /nfs/dbraw/zinc/08/98/88/1294089888.db2.gz XJBFPKYPVUAKCC-UHFFFAOYSA-N 0 0 325.416 2.389 10 10 EECERN COc1cc(N2CCN(Cc3cnc(C)o3)CC2)cc(OC)c1OC ZINC000862326925 1295791786 /nfs/dbraw/zinc/79/17/86/1295791786.db2.gz VNDJXKYLPFNIFT-UHFFFAOYSA-N 0 0 347.415 2.331 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)c1 ZINC000862755107 1295951258 /nfs/dbraw/zinc/95/12/58/1295951258.db2.gz DAVUFPKRBFWGJC-ZDUSSCGKSA-N 0 0 326.400 2.048 10 10 EECERN COc1cccc(CNC(=O)Nc2ccc(N3CCC3=O)cc2)c1O ZINC000799242518 1305199408 /nfs/dbraw/zinc/19/94/08/1305199408.db2.gz XQGJXRCZCUQDAC-UHFFFAOYSA-N 0 0 341.367 2.459 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841709888 1315601702 /nfs/dbraw/zinc/60/17/02/1315601702.db2.gz OFYXLCCCVGDALB-CALCHBBNSA-N 0 0 328.460 2.323 10 10 EECERN C[C@]1(F)CNCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000841853066 1315623824 /nfs/dbraw/zinc/62/38/24/1315623824.db2.gz VVZSDSOADKAHPK-KRWDZBQOSA-N 0 0 348.447 2.090 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1[O-] ZINC000843118514 1315847401 /nfs/dbraw/zinc/84/74/01/1315847401.db2.gz ZTDXUTOTEXKUPY-OAHLLOKOSA-N 0 0 348.790 2.495 10 10 EECERN CCOC(=O)c1c(NC(=O)[C@@H](C)CC(N)=O)sc2c1CCCC2 ZINC001154470338 1317148334 /nfs/dbraw/zinc/14/83/34/1317148334.db2.gz GAOFXTSBSZXBHV-VIFPVBQESA-N 0 0 338.429 2.254 10 10 EECERN COC(=O)c1nccnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001162062095 1320735717 /nfs/dbraw/zinc/73/57/17/1320735717.db2.gz KZZBCONIXSPKDQ-UHFFFAOYSA-N 0 0 326.400 2.500 10 10 EECERN CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2ccc(O)cc2O)c1 ZINC001162278927 1320804038 /nfs/dbraw/zinc/80/40/38/1320804038.db2.gz NTCSPBRQVXEJNW-LBPRGKRZSA-N 0 0 329.352 2.384 10 10 EECERN COc1ccc(C[C@H]2CCN2C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001294512294 1329051339 /nfs/dbraw/zinc/05/13/39/1329051339.db2.gz NEWBUHMDCSBXJX-OAHLLOKOSA-N 0 0 327.380 2.493 10 10 EECERN C/C=C(/C)C(=O)N[C@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285066130 1326852064 /nfs/dbraw/zinc/85/20/64/1326852064.db2.gz IFAOVIFNLOWAIP-XVYPRMNMSA-N 0 0 345.403 2.440 10 10 EECERN CC1(C(=O)NC/C=C\CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001285568276 1327054887 /nfs/dbraw/zinc/05/48/87/1327054887.db2.gz PWSTWYKTCRVUCI-OVUKQJOBSA-N 0 0 343.387 2.051 10 10 EECERN Cn1cc(CNC(=O)Cc2ccc(O)c(O)c2)c(-c2ccccc2)n1 ZINC001296262430 1329877932 /nfs/dbraw/zinc/87/79/32/1329877932.db2.gz PQXVBAATZCWCNI-UHFFFAOYSA-N 0 0 337.379 2.357 10 10 EECERN O=C(NCc1cccc(C(=O)NC2CC2)c1)c1c(F)ccc(O)c1O ZINC001306387408 1331469354 /nfs/dbraw/zinc/46/93/54/1331469354.db2.gz BFDYTBFSSMFGHC-UHFFFAOYSA-N 0 0 344.342 2.059 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N(CCC2CC2)CC2CC2)cc1 ZINC001328220212 1334417565 /nfs/dbraw/zinc/41/75/65/1334417565.db2.gz JDNJLZLXHDYHSN-UHFFFAOYSA-N 0 0 343.471 2.408 10 10 EECERN C/C=C/C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001329511426 1334665538 /nfs/dbraw/zinc/66/55/38/1334665538.db2.gz RLROTRAJZWBFRL-BAABZTOOSA-N 0 0 328.412 2.439 10 10 EECERN COc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cn1 ZINC001331691054 1335059328 /nfs/dbraw/zinc/05/93/28/1335059328.db2.gz LGKJUGXNWNYYRR-UHFFFAOYSA-N 0 0 333.344 2.045 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC001331882226 1335664805 /nfs/dbraw/zinc/66/48/05/1335664805.db2.gz XNJLOPJJGIXMRS-MRXNPFEDSA-N 0 0 348.443 2.062 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1cncs1 ZINC001332864949 1335921315 /nfs/dbraw/zinc/92/13/15/1335921315.db2.gz BRPQHFKTQPSTGG-LBPRGKRZSA-N 0 0 346.456 2.011 10 10 EECERN Cc1cc(CCNC(=O)C(=O)N2CC[C@H]2C)c(C)n1-c1ccccc1 ZINC001335035986 1336328667 /nfs/dbraw/zinc/32/86/67/1336328667.db2.gz HDSLBOKPBUXIMO-CQSZACIVSA-N 0 0 339.439 2.374 10 10 EECERN COc1cccc(CO[C@H](C)C(=O)NCc2cccc(O)c2O)c1 ZINC001348046664 1337533784 /nfs/dbraw/zinc/53/37/84/1337533784.db2.gz IJDGWQJOPMSPDE-GFCCVEGCSA-N 0 0 331.368 2.328 10 10 EECERN O=C(Cn1cc(C(F)(F)F)ccc1=O)N1Cc2cccc(O)c2C1 ZINC001348789595 1337576866 /nfs/dbraw/zinc/57/68/66/1337576866.db2.gz UFZNCXBULAMYSU-UHFFFAOYSA-N 0 0 338.285 2.115 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1cn(C)nn1 ZINC001352626053 1338007791 /nfs/dbraw/zinc/00/77/91/1338007791.db2.gz HOLWEHZWZKOWPP-UHFFFAOYSA-N 0 0 327.432 2.007 10 10 EECERN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)C2=CC(=O)CS2)C1 ZINC001300763638 1338663464 /nfs/dbraw/zinc/66/34/64/1338663464.db2.gz XOQWXIMJJAMGOW-JGVFFNPUSA-N 0 0 337.319 2.267 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(CN2CCOC2=O)c1 ZINC001596197362 1349902838 /nfs/dbraw/zinc/90/28/38/1349902838.db2.gz DXQBNKFQBCYTGV-UHFFFAOYSA-N 0 0 342.351 2.231 10 10 EECERN Cc1c(Br)cncc1C(=O)NCc1c(O)cccc1O ZINC001597575141 1349927993 /nfs/dbraw/zinc/92/79/93/1349927993.db2.gz YPVZFURFHYNKLS-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN CCOC(=O)c1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)[nH]n1 ZINC001624436389 1352421513 /nfs/dbraw/zinc/42/15/13/1352421513.db2.gz XCHRRTNITDQZIR-UHFFFAOYSA-N 0 0 347.352 2.465 10 10 EECERN Cc1[nH]nc2ncc(C(=O)NCc3ccc4cccnc4c3O)cc12 ZINC001627068780 1352482082 /nfs/dbraw/zinc/48/20/82/1352482082.db2.gz DXSAOYSIBCERHH-UHFFFAOYSA-N 0 0 333.351 2.450 10 10 EECERN CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001633888428 1352619303 /nfs/dbraw/zinc/61/93/03/1352619303.db2.gz WDILVYIBWHWCEQ-CYBMUJFWSA-N 0 0 332.360 2.311 10 10 EECERN CCc1ncc(Cl)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001638347732 1352687683 /nfs/dbraw/zinc/68/76/83/1352687683.db2.gz KRDUTHNLMISIFW-VIFPVBQESA-N 0 0 335.791 2.465 10 10 EECERN O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1c(F)ccc(O)c1O ZINC001641627850 1352723477 /nfs/dbraw/zinc/72/34/77/1352723477.db2.gz VZTYMIXISSQBGH-SNVBAGLBSA-N 0 0 334.322 2.385 10 10 EECERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1c(O)cccc1F ZINC001643209816 1352742394 /nfs/dbraw/zinc/74/23/94/1352742394.db2.gz GOHOBLBYTJJGSF-UHFFFAOYSA-N 0 0 340.332 2.455 10 10 EECERN O=C(NCc1c(O)cccc1O)c1nc(N2CCCC2)ncc1Cl ZINC001652622635 1354097160 /nfs/dbraw/zinc/09/71/60/1354097160.db2.gz CCCJPROSHKMKCL-UHFFFAOYSA-N 0 0 348.790 2.071 10 10 EECERN C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C(=O)N1c1ccccc1 ZINC001654369867 1354147634 /nfs/dbraw/zinc/14/76/34/1354147634.db2.gz NDJMMSOUASEJAE-ZWNOBZJWSA-N 0 0 344.342 2.161 10 10 EECERN COc1ccc(-c2noc(CN[C@@H](C)c3ccccc3O)n2)nn1 ZINC001654532228 1354151679 /nfs/dbraw/zinc/15/16/79/1354151679.db2.gz LDHDGWMWELIHDG-JTQLQIEISA-N 0 0 327.344 2.092 10 10 EECERN CCN(CCNCc1ccon1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001668656571 1355980817 /nfs/dbraw/zinc/98/08/17/1355980817.db2.gz FDNSVMNHVJIMFI-UHFFFAOYSA-N 0 0 344.375 2.089 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(c2ccccn2)CC1 ZINC000588403364 759542597 /nfs/dbraw/zinc/54/25/97/759542597.db2.gz GOBYWEBUBQGEEC-ALCCZGGFSA-N 0 0 339.395 2.291 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000918746397 769365817 /nfs/dbraw/zinc/36/58/17/769365817.db2.gz YAGBELKFEDLFKA-DYVFJYSZSA-N 0 0 334.416 2.405 10 10 EECERN C[C@@H](NC(=O)c1nnn(C)c1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000907493820 784675724 /nfs/dbraw/zinc/67/57/24/784675724.db2.gz UNBKHPCZPMAXAT-SECBINFHSA-N 0 0 341.337 2.391 10 10 EECERN CO[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000819973702 785726432 /nfs/dbraw/zinc/72/64/32/785726432.db2.gz BBHZDVJBOHNZAB-FUHWJXTLSA-N 0 0 332.444 2.297 10 10 EECERN COC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001136383342 786487462 /nfs/dbraw/zinc/48/74/62/786487462.db2.gz HMYXYOLDJMUMQK-AWEZNQCLSA-N 0 0 347.342 2.200 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C(F)=C1CCC1)cc2=O ZINC000821380657 786701319 /nfs/dbraw/zinc/70/13/19/786701319.db2.gz SDVBWIPTZTZHSG-UHFFFAOYSA-N 0 0 349.318 2.062 10 10 EECERN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1CC12CC2 ZINC000823688829 787872754 /nfs/dbraw/zinc/87/27/54/787872754.db2.gz TZSZOLIVCUIGLL-CQSZACIVSA-N 0 0 337.370 2.153 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC000823947897 787996224 /nfs/dbraw/zinc/99/62/24/787996224.db2.gz GHSHMTADYWCKHM-WKULXVSPSA-N 0 0 330.428 2.013 10 10 EECERN CCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCOC1 ZINC000824685472 788273108 /nfs/dbraw/zinc/27/31/08/788273108.db2.gz FDQSLADDYQDQMW-NVXWUHKLSA-N 0 0 347.459 2.342 10 10 EECERN COC(CNC(=O)c1ccc(C)c(O)c1O)(OC)c1ccccc1 ZINC000913224709 788711373 /nfs/dbraw/zinc/71/13/73/788711373.db2.gz IGWQDEZMDARCBD-UHFFFAOYSA-N 0 0 331.368 2.282 10 10 EECERN CCO[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000923186022 789081765 /nfs/dbraw/zinc/08/17/65/789081765.db2.gz HNBONLAMWNHCQG-PBHICJAKSA-N 0 0 333.432 2.094 10 10 EECERN COC1(C[C@H]2NC(=O)N(Cc3ccc(N(C)C)c(F)c3)C2=O)CCC1 ZINC000844720422 789325291 /nfs/dbraw/zinc/32/52/91/789325291.db2.gz MWOUWPDDSDPXRY-CQSZACIVSA-N 0 0 349.406 2.271 10 10 EECERN COCc1nc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)co1 ZINC000844857217 789404710 /nfs/dbraw/zinc/40/47/10/789404710.db2.gz XWBRLPWEHXZHPM-UHFFFAOYSA-N 0 0 333.388 2.038 10 10 EECERN C[C@@H](CCNC(=O)NCc1c(O)ccc2c1CCCC2)[S@](C)=O ZINC000165679084 789540291 /nfs/dbraw/zinc/54/02/91/789540291.db2.gz NDMKUAHBSAZOJD-DAOPMYJZSA-N 0 0 338.473 2.227 10 10 EECERN COCCOCCN1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000846117910 790055769 /nfs/dbraw/zinc/05/57/69/790055769.db2.gz SKNCRWJBDIGNRN-UHFFFAOYSA-N 0 0 342.867 2.135 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCc2cccnc2N(C)C)c1 ZINC000171735237 791461381 /nfs/dbraw/zinc/46/13/81/791461381.db2.gz PBOOWGRASFEFIX-LBPRGKRZSA-N 0 0 344.415 2.422 10 10 EECERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000172549213 791712897 /nfs/dbraw/zinc/71/28/97/791712897.db2.gz BOXSHLOHIWGSMD-HZPDHXFCSA-N 0 0 344.459 2.130 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000172555776 791722326 /nfs/dbraw/zinc/72/23/26/791722326.db2.gz OMJYMLQPIAXUJY-JKSUJKDBSA-N 0 0 346.475 2.376 10 10 EECERN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001148396949 792384612 /nfs/dbraw/zinc/38/46/12/792384612.db2.gz DYOUKKMDTWXPFP-NXEZZACHSA-N 0 0 334.397 2.086 10 10 EECERN NC(=O)NC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000176437039 794601190 /nfs/dbraw/zinc/60/11/90/794601190.db2.gz YWHSNFVLDUQNQV-UHFFFAOYSA-N 0 0 349.749 2.317 10 10 EECERN C[C@H]1CN(c2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC000952994089 796139984 /nfs/dbraw/zinc/13/99/84/796139984.db2.gz UVTWHBCDRLUFRA-AWEZNQCLSA-N 0 0 326.396 2.378 10 10 EECERN COc1ccc(CNC(=O)c2cc(-c3cccnc3)on2)c(O)c1 ZINC000794377537 810803951 /nfs/dbraw/zinc/80/39/51/810803951.db2.gz PIMLXPWKLONGFO-UHFFFAOYSA-N 0 0 325.324 2.381 10 10 EECERN COc1ccc(CNC(=O)c2cnn(CC(F)(F)F)c2)c(O)c1 ZINC000794382283 810808824 /nfs/dbraw/zinc/80/88/24/810808824.db2.gz UJXVGARTGIOHEQ-UHFFFAOYSA-N 0 0 329.278 2.090 10 10 EECERN C[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277635 811812350 /nfs/dbraw/zinc/81/23/50/811812350.db2.gz GTYBBAAIJKMKBV-NEPJUHHUSA-N 0 0 341.502 2.389 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001456232735 1109117711 /nfs/dbraw/zinc/11/77/11/1109117711.db2.gz AXABRWYAUAHSFZ-UHFFFAOYSA-N 0 0 339.307 2.484 10 10 EECERN Cc1cc(CC(=O)Nc2cc(C(N)=O)[nH]n2)c(C)n1-c1ccccc1 ZINC001465938028 1110426610 /nfs/dbraw/zinc/42/66/10/1110426610.db2.gz MLGAYGGTGAYBLC-UHFFFAOYSA-N 0 0 337.383 2.097 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cc(Cl)ccc1-n1cncn1 ZINC001465955026 1110427105 /nfs/dbraw/zinc/42/71/05/1110427105.db2.gz VQLVLKVEIQTJOV-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN C[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccccc1O ZINC001471193830 1110518867 /nfs/dbraw/zinc/51/88/67/1110518867.db2.gz LLPAIMCSAIRDBN-SNVBAGLBSA-N 0 0 329.381 2.041 10 10 EECERN CC(=O)N[C@H](CC(=O)NCc1cccc(O)c1O)c1cccs1 ZINC001520502161 1119170548 /nfs/dbraw/zinc/17/05/48/1119170548.db2.gz VFYYUHSFLZYWOA-GFCCVEGCSA-N 0 0 334.397 2.043 10 10 EECERN COC(=O)c1ccc(CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001540758821 1124092484 /nfs/dbraw/zinc/09/24/84/1124092484.db2.gz IWIWKVRBYZZYSO-UHFFFAOYSA-N 0 0 329.352 2.086 10 10 EECERN Cc1nnc(N2CCCOCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001543294292 1124126977 /nfs/dbraw/zinc/12/69/77/1124126977.db2.gz VTGXBPRPCQYZML-UHFFFAOYSA-N 0 0 333.411 2.067 10 10 EECERN O=C(c1cccc(O)c1O)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000193174200 237371968 /nfs/dbraw/zinc/37/19/68/237371968.db2.gz XGPVRNSVFQIFNT-CQSZACIVSA-N 0 0 346.770 2.065 10 10 EECERN Cc1noc([C@@H](C)N2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000121242760 463103011 /nfs/dbraw/zinc/10/30/11/463103011.db2.gz KHZFXZYVTMTXRQ-CQSZACIVSA-N 0 0 329.448 2.323 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NCCCN1CCCC1=O ZINC000264358930 464295776 /nfs/dbraw/zinc/29/57/76/464295776.db2.gz AWXQLZGGLTZMRQ-UHFFFAOYSA-N 0 0 333.432 2.326 10 10 EECERN Cn1nnc2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cc21 ZINC000183331624 464850537 /nfs/dbraw/zinc/85/05/37/464850537.db2.gz DKWQHZWHGMOUAU-UHFFFAOYSA-N 0 0 336.395 2.483 10 10 EECERN CN1CCCN(C(=O)c2ccnc3c2CC(=O)N3)c2cc(F)ccc21 ZINC000669071205 471370335 /nfs/dbraw/zinc/37/03/35/471370335.db2.gz TWKBPDZNDKSLJZ-UHFFFAOYSA-N 0 0 340.358 2.202 10 10 EECERN CC[C@@H]1CCN1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000291686656 529329173 /nfs/dbraw/zinc/32/91/73/529329173.db2.gz FQVJRBXVIBHOHS-MRXNPFEDSA-N 0 0 346.475 2.011 10 10 EECERN O=C(CNC(=O)c1cc2c(s1)CCCC2)NCc1ccccc1O ZINC000726798547 576299400 /nfs/dbraw/zinc/29/94/00/576299400.db2.gz CEKPMEHYJBKNSU-UHFFFAOYSA-N 0 0 344.436 2.379 10 10 EECERN O=C(NCc1ccc(CN2CCOCC2)cc1)C1=CC(=O)CS1 ZINC000732257856 577164163 /nfs/dbraw/zinc/16/41/63/577164163.db2.gz GGHDHPJLQAHVJO-UHFFFAOYSA-N 0 0 332.425 2.216 10 10 EECERN COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000775353619 577435759 /nfs/dbraw/zinc/43/57/59/577435759.db2.gz WVGGLMZETFPFSH-NWDGAFQWSA-N 0 0 337.376 2.257 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCSC[C@@H]1CCO ZINC000775420916 577437057 /nfs/dbraw/zinc/43/70/57/577437057.db2.gz IJSPJSBXIKPQAH-KRWDZBQOSA-N 0 0 349.500 2.296 10 10 EECERN C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)CN(C2CCC2)C1=O ZINC000761159471 577678100 /nfs/dbraw/zinc/67/81/00/577678100.db2.gz LGCUTWWOLASTJS-AWEZNQCLSA-N 0 0 343.427 2.401 10 10 EECERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1ccc2c(c1)CCO2 ZINC000763477207 577721720 /nfs/dbraw/zinc/72/17/20/577721720.db2.gz FEVLTTFYBQQZBO-QGZVFWFLSA-N 0 0 326.396 2.281 10 10 EECERN COC(=O)/C(=C/c1ccc(N2CCOCC2)cc1)c1ncccn1 ZINC000752891371 577777683 /nfs/dbraw/zinc/77/76/83/577777683.db2.gz UCWJJTWCLPMSGP-DTQAZKPQSA-N 0 0 325.368 2.027 10 10 EECERN Cc1cc(C(=O)CN2CCNC(=O)[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000749842237 577982713 /nfs/dbraw/zinc/98/27/13/577982713.db2.gz MDQCBAPBVDRQIK-CQSZACIVSA-N 0 0 343.402 2.236 10 10 EECERN COC(=O)c1c(CN2CCO[C@@H](CF)C2)c2cc(F)ccc2n1C ZINC000894987441 683457232 /nfs/dbraw/zinc/45/72/32/683457232.db2.gz QWGDCGXZCVBQPH-LBPRGKRZSA-N 0 0 338.354 2.274 10 10 EECERN CCOC(=O)c1nnc([C@@H](C)[NH2+]CC=Cc2ccc(N(C)C)cc2)[n-]1 ZINC000895237428 684342779 /nfs/dbraw/zinc/34/27/79/684342779.db2.gz HCZUVKGIGDFKQG-FMFIFOJESA-N 0 0 343.431 2.411 10 10 EECERN COc1cccc(CNC(=O)C[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000896117125 684841231 /nfs/dbraw/zinc/84/12/31/684841231.db2.gz ODWBBZZZRYUNAX-OAHLLOKOSA-N 0 0 349.427 2.383 10 10 EECERN CNC(=O)[C@H](CC(C)C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897222045 686274136 /nfs/dbraw/zinc/27/41/36/686274136.db2.gz KYORDOFCULXSDY-JTQLQIEISA-N 0 0 336.413 2.203 10 10 EECERN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)O1 ZINC000864931769 1198004591 /nfs/dbraw/zinc/00/45/91/1198004591.db2.gz OQJATCHGCMZUMT-NFAWXSAZSA-N 0 0 336.407 2.092 10 10 EECERN COC(=O)c1cc(OCC(=O)N2CCC[C@H](C)C2)ccc1N(C)C ZINC000865395835 1198196121 /nfs/dbraw/zinc/19/61/21/1198196121.db2.gz CWYCBPXBFPXDNH-ZDUSSCGKSA-N 0 0 334.416 2.177 10 10 EECERN O=C(NCCCSc1nccs1)N1CC2(C1)CCOCC2 ZINC000813680665 1199142162 /nfs/dbraw/zinc/14/21/62/1199142162.db2.gz FZSRRAZDVCUQJT-UHFFFAOYSA-N 0 0 327.475 2.447 10 10 EECERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3Cc4cccc(O)c4C3)[C@@H]2C1 ZINC000875587884 1199308478 /nfs/dbraw/zinc/30/84/78/1199308478.db2.gz KVYMNWOMMZOJSR-LXZKKBNFSA-N 0 0 343.427 2.064 10 10 EECERN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)C2 ZINC000876132717 1199514420 /nfs/dbraw/zinc/51/44/20/1199514420.db2.gz NAYBVCFGMFWDKH-DBYGNECLSA-N 0 0 348.399 2.103 10 10 EECERN COc1cc(Cl)cc(CN2CCO[C@H](C(=O)C3CC3)C2)c1O ZINC000811502493 1200114700 /nfs/dbraw/zinc/11/47/00/1200114700.db2.gz WACCTZVTPZQKJO-AWEZNQCLSA-N 0 0 325.792 2.234 10 10 EECERN COc1ccc(CNC(=O)[C@@H]2CCCN2CC(F)(F)F)c(O)c1 ZINC000812561309 1200783393 /nfs/dbraw/zinc/78/33/93/1200783393.db2.gz JXBVSILHOJCMKF-LBPRGKRZSA-N 0 0 332.322 2.044 10 10 EECERN CCS(=O)(=O)c1ccc(CC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871202217 1201097998 /nfs/dbraw/zinc/09/79/98/1201097998.db2.gz AMNZVWCGVHRIOA-UHFFFAOYSA-N 0 0 345.420 2.271 10 10 EECERN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nn1C1CCOCC1 ZINC000871206724 1201099546 /nfs/dbraw/zinc/09/95/46/1201099546.db2.gz CKTWWSZPGCFKMA-UHFFFAOYSA-N 0 0 327.384 2.405 10 10 EECERN CCO[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000866762947 1201600414 /nfs/dbraw/zinc/60/04/14/1201600414.db2.gz AMKZBFXCUBWSSS-YVEFUNNKSA-N 0 0 337.416 2.410 10 10 EECERN CN(Cc1ccccc1O)S(=O)(=O)c1cn(C)nc1C(C)(C)C ZINC000866833677 1201614592 /nfs/dbraw/zinc/61/45/92/1201614592.db2.gz CRYUZCMQRGLVNZ-UHFFFAOYSA-N 0 0 337.445 2.244 10 10 EECERN Cc1ccc(O)c(CNS(=O)(=O)c2cn(C)nc2C(C)(C)C)c1 ZINC000867559344 1201633862 /nfs/dbraw/zinc/63/38/62/1201633862.db2.gz JLJIGIRJWXRBRN-UHFFFAOYSA-N 0 0 337.445 2.210 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ncc4ccccn43)C2)cc1 ZINC000869229158 1201969856 /nfs/dbraw/zinc/96/98/56/1201969856.db2.gz SEVBDDRQYNTPPV-CQSZACIVSA-N 0 0 336.395 2.352 10 10 EECERN Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000927858089 1206310145 /nfs/dbraw/zinc/31/01/45/1206310145.db2.gz KPTKTRPQGALPOC-LBPRGKRZSA-N 0 0 344.440 2.145 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000928712660 1206414062 /nfs/dbraw/zinc/41/40/62/1206414062.db2.gz VIOPVRKUJFGOIS-CQSZACIVSA-N 0 0 346.358 2.435 10 10 EECERN O=C(C[C@H](O)C(Cl)(Cl)Cl)NCc1c(O)cccc1F ZINC000928710702 1206414073 /nfs/dbraw/zinc/41/40/73/1206414073.db2.gz WAJRAJUIAPXTBH-VIFPVBQESA-N 0 0 330.570 2.269 10 10 EECERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928711180 1206414075 /nfs/dbraw/zinc/41/40/75/1206414075.db2.gz GLGRADWXQHSGCV-OLZOCXBDSA-N 0 0 336.407 2.432 10 10 EECERN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C)[C@@H](F)C3)CC2)cc1 ZINC000778231736 1207924735 /nfs/dbraw/zinc/92/47/35/1207924735.db2.gz CXEJUBHDCNODNQ-QAPCUYQASA-N 0 0 349.450 2.024 10 10 EECERN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000779499303 1210395837 /nfs/dbraw/zinc/39/58/37/1210395837.db2.gz NVEBVCDAFYBQNX-UHFFFAOYSA-N 0 0 342.355 2.266 10 10 EECERN COCCOc1cccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000779500938 1210401015 /nfs/dbraw/zinc/40/10/15/1210401015.db2.gz POIIVJQXXUHCTO-VURMDHGXSA-N 0 0 343.379 2.453 10 10 EECERN COc1cccc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1O ZINC000093667228 1214919749 /nfs/dbraw/zinc/91/97/49/1214919749.db2.gz BNHGPSVGSVCDLZ-INIZCTEOSA-N 0 0 348.443 2.004 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](O)COCC(C)C ZINC000304681001 1216091372 /nfs/dbraw/zinc/09/13/72/1216091372.db2.gz ZELZOUJGZKQCEO-AWEZNQCLSA-N 0 0 345.399 2.014 10 10 EECERN O=C(c1cn[nH]c(=O)c1)N(Cc1ccco1)Cc1ccccc1O ZINC001137343513 1250237933 /nfs/dbraw/zinc/23/79/33/1250237933.db2.gz SOGJWZQWBMQSAC-UHFFFAOYSA-N 0 0 325.324 2.323 10 10 EECERN COC(=O)CN(CCO[C@H]1CC1(F)F)Cc1cc(Cl)ccc1O ZINC000851840427 1291876125 /nfs/dbraw/zinc/87/61/25/1291876125.db2.gz GQOGFIWHIGUUTC-ZDUSSCGKSA-N 0 0 349.761 2.445 10 10 EECERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000852138284 1292008471 /nfs/dbraw/zinc/00/84/71/1292008471.db2.gz MGYRGRTXWDQLLC-WOVMCDHWSA-N 0 0 343.427 2.156 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[C@@H]3OC)C2)cc1 ZINC000852239133 1292057718 /nfs/dbraw/zinc/05/77/18/1292057718.db2.gz KXTAHMGUFHXTGP-MPGHIAIKSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cccnc3F)C2)cc1 ZINC000852292101 1292078649 /nfs/dbraw/zinc/07/86/49/1292078649.db2.gz BLGFHJJKTBXVBC-AWEZNQCLSA-N 0 0 344.390 2.307 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](OC)CC3)C2)cc1 ZINC000854297371 1292709367 /nfs/dbraw/zinc/70/93/67/1292709367.db2.gz QXZRWVHULVSHAY-DOTOQJQBSA-N 0 0 347.459 2.484 10 10 EECERN CO[C@](C)(CO)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000855046185 1293052522 /nfs/dbraw/zinc/05/25/22/1293052522.db2.gz WIXRPZDPNFNMLT-IBGZPJMESA-N 0 0 330.428 2.150 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C3(C)COC(C)(C)OC3)C2)cc1 ZINC000855233307 1293122158 /nfs/dbraw/zinc/12/21/58/1293122158.db2.gz FVIJWDZLFHYTIO-CQSZACIVSA-N 0 0 348.443 2.179 10 10 EECERN C[C@@H](NC(=O)N[C@H]1CCN(C2CCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000858368896 1294097206 /nfs/dbraw/zinc/09/72/06/1294097206.db2.gz PFSIBKWQBXPKJD-DYVFJYSZSA-N 0 0 344.459 2.266 10 10 EECERN CO[C@H]1C[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000859008602 1294290876 /nfs/dbraw/zinc/29/08/76/1294290876.db2.gz OYAVSGFRZQFQAD-JGZJWPJOSA-N 0 0 343.221 2.379 10 10 EECERN COc1ccc(O)c(CNS(=O)(=O)c2ccc(F)cc2C)c1 ZINC000119849638 1296411044 /nfs/dbraw/zinc/41/10/44/1296411044.db2.gz UVHBUVOVYMPLKC-UHFFFAOYSA-N 0 0 325.361 2.327 10 10 EECERN Cc1nc2c(nccc2C(=O)NCc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000797846204 1304858870 /nfs/dbraw/zinc/85/88/70/1304858870.db2.gz QBDWHXJDTXHZIK-UHFFFAOYSA-N 0 0 327.363 2.401 10 10 EECERN COC(=O)c1n[nH]c2c1CN(Cc1c(O)cc(C)cc1Cl)CC2 ZINC000840950701 1315443948 /nfs/dbraw/zinc/44/39/48/1315443948.db2.gz MWUJLTIGXMWMPQ-UHFFFAOYSA-N 0 0 335.791 2.422 10 10 EECERN O=C(CCCn1ccccc1=O)NCc1ccc2cccnc2c1O ZINC001142728276 1315717745 /nfs/dbraw/zinc/71/77/45/1315717745.db2.gz QAVBLGGISOQLMU-UHFFFAOYSA-N 0 0 337.379 2.199 10 10 EECERN C[C@@H]1C[C@@H]1C(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001293930457 1328842231 /nfs/dbraw/zinc/84/22/31/1328842231.db2.gz SBUWGDONKLEROL-RISCZKNCSA-N 0 0 345.403 2.083 10 10 EECERN Nc1ccc(CCNC(=O)C(=O)N2CC3CC2(c2ccccc2)C3)cc1 ZINC001261653774 1322148310 /nfs/dbraw/zinc/14/83/10/1322148310.db2.gz WRUQXMOUOGIJIH-UHFFFAOYSA-N 0 0 349.434 2.075 10 10 EECERN C[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)c2ncnn21 ZINC001262201076 1322254150 /nfs/dbraw/zinc/25/41/50/1322254150.db2.gz NHGPVDDXJMGIBJ-DYVFJYSZSA-N 0 0 327.432 2.035 10 10 EECERN CCn1cc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)nn1 ZINC001263617636 1322495195 /nfs/dbraw/zinc/49/51/95/1322495195.db2.gz SNSZMXNPQJGQEB-UHFFFAOYSA-N 0 0 325.372 2.458 10 10 EECERN CC[C@H](CNC(=O)C1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285026689 1326835823 /nfs/dbraw/zinc/83/58/23/1326835823.db2.gz ZVTQDUZQCCIVQW-CYBMUJFWSA-N 0 0 345.403 2.274 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)C1CCC1 ZINC001285722796 1327123856 /nfs/dbraw/zinc/12/38/56/1327123856.db2.gz HZPMZVQOHBXJBS-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN CC(C)C(=O)N[C@@H](C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001286181866 1327327425 /nfs/dbraw/zinc/32/74/25/1327327425.db2.gz KRGCBSNJFPILFL-NSHDSACASA-N 0 0 345.403 2.082 10 10 EECERN Cc1cc(CC(=O)Nc2cnn(C)c(=O)c2)c(C)n1-c1ccccc1 ZINC001289184813 1327999174 /nfs/dbraw/zinc/99/91/74/1327999174.db2.gz FCNCUDSEPRVWMN-UHFFFAOYSA-N 0 0 336.395 2.369 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1coc(-c2cccnc2)n1 ZINC001294912105 1329763135 /nfs/dbraw/zinc/76/31/35/1329763135.db2.gz ARRKJOZOIUPHPV-UHFFFAOYSA-N 0 0 325.324 2.120 10 10 EECERN CC(C)(O)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001295589928 1329824255 /nfs/dbraw/zinc/82/42/55/1329824255.db2.gz GGDZBLVXNMLKIT-UHFFFAOYSA-N 0 0 329.396 2.440 10 10 EECERN CC/C=C(/C)C(=O)NC[C@@H](CC)NC(=O)c1cc(OC)nc(OC)c1 ZINC001297370131 1329965886 /nfs/dbraw/zinc/96/58/86/1329965886.db2.gz LIDHCOGBMLGRBF-ICDLMJIXSA-N 0 0 349.431 2.080 10 10 EECERN CC(C)C(=O)N[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001297984686 1330025603 /nfs/dbraw/zinc/02/56/03/1330025603.db2.gz BWXTUPXPISMKQF-CQSZACIVSA-N 0 0 347.419 2.376 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001324791482 1333760613 /nfs/dbraw/zinc/76/06/13/1333760613.db2.gz UJVCUKFFSRIISR-RJIDQJRZSA-N 0 0 332.356 2.132 10 10 EECERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329422098 1334646699 /nfs/dbraw/zinc/64/66/99/1334646699.db2.gz JCYQESQQYCMCDT-DVOMOZLQSA-N 0 0 328.412 2.414 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCC12CCC2 ZINC001332560805 1335850009 /nfs/dbraw/zinc/85/00/09/1335850009.db2.gz NFRGFWHDVVKVOZ-UHFFFAOYSA-N 0 0 341.455 2.448 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC1CCC=CCC1 ZINC001332855945 1335919505 /nfs/dbraw/zinc/91/95/05/1335919505.db2.gz USPGQGZAILRZAO-UHFFFAOYSA-N 0 0 339.439 2.294 10 10 EECERN O=C(NCCC1CC=CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001333339649 1336013586 /nfs/dbraw/zinc/01/35/86/1336013586.db2.gz CWMOUQANQZOZPK-UHFFFAOYSA-N 0 0 339.439 2.152 10 10 EECERN COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(N2CCCC2)cc1 ZINC001334327196 1336239723 /nfs/dbraw/zinc/23/97/23/1336239723.db2.gz PFDUHGUMNVVUSP-ROUUACIJSA-N 0 0 332.444 2.487 10 10 EECERN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccnn1C ZINC001351782899 1337848146 /nfs/dbraw/zinc/84/81/46/1337848146.db2.gz JPSKXRYGQADKAD-AWEZNQCLSA-N 0 0 331.439 2.162 10 10 EECERN COc1ccc(CNC(=O)c2cc(-c3cccnc3)nn2C)c(O)c1 ZINC001617761885 1352344673 /nfs/dbraw/zinc/34/46/73/1352344673.db2.gz CSBICWLGVOFPJR-UHFFFAOYSA-N 0 0 338.367 2.126 10 10 EECERN COC[C@@H]1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001555358322 1342409338 /nfs/dbraw/zinc/40/93/38/1342409338.db2.gz IYRXBDSNSNYZIF-MRXNPFEDSA-N 0 0 343.475 2.482 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2oc(=O)[nH]c21 ZINC001556158135 1342423179 /nfs/dbraw/zinc/42/31/79/1342423179.db2.gz SQEWJJFWGGCYHV-VIFPVBQESA-N 0 0 328.324 2.306 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC(C)C)NC(C)=O ZINC001556516093 1342429979 /nfs/dbraw/zinc/42/99/79/1342429979.db2.gz ZVUNANNDUOZPGS-CYBMUJFWSA-N 0 0 327.421 2.045 10 10 EECERN C[C@H](C(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001575766828 1343875219 /nfs/dbraw/zinc/87/52/19/1343875219.db2.gz HOULKRFXNIXKKC-NSHDSACASA-N 0 0 345.403 2.131 10 10 EECERN COc1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)cc1O ZINC001594506230 1349876114 /nfs/dbraw/zinc/87/61/14/1349876114.db2.gz LJVPLVAEAVIAGH-DAXSKMNVSA-N 0 0 329.352 2.184 10 10 EECERN CC(=O)Nc1cccnc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001598029678 1349934598 /nfs/dbraw/zinc/93/45/98/1349934598.db2.gz UZNUJTFGTDUKQT-UHFFFAOYSA-N 0 0 330.363 2.175 10 10 EECERN Cc1nonc1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001622310290 1352381281 /nfs/dbraw/zinc/38/12/81/1352381281.db2.gz ZLPYJNMNGLHKNB-UHFFFAOYSA-N 0 0 327.340 2.448 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](O)CCc1ccccc1 ZINC001627029337 1352481003 /nfs/dbraw/zinc/48/10/03/1352481003.db2.gz YWWWPUIKHNRMMS-HNNXBMFYSA-N 0 0 334.412 2.488 10 10 EECERN C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CCc2ccccc21 ZINC001627389961 1352494138 /nfs/dbraw/zinc/49/41/38/1352494138.db2.gz QNUGAXJQLPGAIN-ZDUSSCGKSA-N 0 0 326.396 2.208 10 10 EECERN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)nnn1Cc1ccncc1 ZINC001632250497 1352595241 /nfs/dbraw/zinc/59/52/41/1352595241.db2.gz VHFDRZSSMXGBDN-LBPRGKRZSA-N 0 0 337.383 2.226 10 10 EECERN Cc1cc(C(F)(F)F)nc(C(=O)NCc2cccc(O)c2O)n1 ZINC001643812326 1352751998 /nfs/dbraw/zinc/75/19/98/1352751998.db2.gz FBZRUPYBDGOXLW-UHFFFAOYSA-N 0 0 327.262 2.145 10 10 EECERN Cc1cnc2c(c1)N(C(=O)c1cn(C)nc1-c1cccnc1)CCN2 ZINC001648346529 1353425926 /nfs/dbraw/zinc/42/59/26/1353425926.db2.gz LXHBVGAXZZGVGA-UHFFFAOYSA-N 0 0 334.383 2.258 10 10 EECERN COc1ccc2c(ccn2CC(=O)NCc2cccc(O)c2O)c1 ZINC001651172853 1354042047 /nfs/dbraw/zinc/04/20/47/1354042047.db2.gz IUEZNUGUJPJMLE-UHFFFAOYSA-N 0 0 326.352 2.378 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001653753307 1354132386 /nfs/dbraw/zinc/13/23/86/1354132386.db2.gz TYLDGUNWAAIQIX-ZVYZJRAXSA-N 0 0 348.399 2.283 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2nc(C)c(C)[nH]c2=O)cc1 ZINC000179547410 774053068 /nfs/dbraw/zinc/05/30/68/774053068.db2.gz GDFBMGWGWVHIKP-UHFFFAOYSA-N 0 0 328.416 2.163 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc(Br)cnc1C1CC1 ZINC000924211451 776498098 /nfs/dbraw/zinc/49/80/98/776498098.db2.gz MQFYCSMZNAOTKO-UHFFFAOYSA-N 0 0 326.146 2.036 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCO1 ZINC000906740505 784117283 /nfs/dbraw/zinc/11/72/83/784117283.db2.gz XDBBGSWCJYBRBC-KXBFYZLASA-N 0 0 346.471 2.327 10 10 EECERN C[C@H](O)[C@H](NCc1ccc(N(C)C)cc1)C(=O)OCc1ccccc1 ZINC000816626751 784139444 /nfs/dbraw/zinc/13/94/44/784139444.db2.gz STYUWVBLIBYUFK-KXBFYZLASA-N 0 0 342.439 2.335 10 10 EECERN O=C(NC1(c2noc(C(F)F)n2)CCC1)c1cccc(O)c1O ZINC000816926272 784384036 /nfs/dbraw/zinc/38/40/36/784384036.db2.gz PZNPVKPQMKMSJB-UHFFFAOYSA-N 0 0 325.271 2.228 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2ccc(-n3ccnc3)nc2)cc1 ZINC001136179973 785387825 /nfs/dbraw/zinc/38/78/25/785387825.db2.gz FWMDJSIFVOFVOA-UHFFFAOYSA-N 0 0 349.354 2.360 10 10 EECERN CO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCOC1 ZINC000821032704 786566571 /nfs/dbraw/zinc/56/65/71/786566571.db2.gz FLBXVEVNUPKJKT-CRAIPNDOSA-N 0 0 332.444 2.295 10 10 EECERN Cc1cc(CC(=O)N[C@H](C)Cn2cncn2)c(C)n1-c1ccccc1 ZINC000822416977 787190617 /nfs/dbraw/zinc/19/06/17/787190617.db2.gz DAUDGEKCDUXDIA-CQSZACIVSA-N 0 0 337.427 2.433 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C(F)(F)F ZINC000822720335 787374142 /nfs/dbraw/zinc/37/41/42/787374142.db2.gz AZNKGWFOZDIORZ-ZIAGYGMSSA-N 0 0 328.334 2.338 10 10 EECERN O=C(c1cccc(O)c1O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC001136645324 787458770 /nfs/dbraw/zinc/45/87/70/787458770.db2.gz DGCWRIBFBUNWGV-AWEZNQCLSA-N 0 0 328.368 2.314 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N(C)Cc3cc[nH]n3)C2)cc1 ZINC000823725482 787911425 /nfs/dbraw/zinc/91/14/25/787911425.db2.gz CHZIXSWMZFFABI-CQSZACIVSA-N 0 0 343.431 2.086 10 10 EECERN CN(C)c1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1F ZINC000825202316 788496864 /nfs/dbraw/zinc/49/68/64/788496864.db2.gz QSJGUNMZZOUPFE-JKSUJKDBSA-N 0 0 326.437 2.043 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@@H](C2CC2)C2CCOCC2)c1 ZINC000844976952 789498379 /nfs/dbraw/zinc/49/83/79/789498379.db2.gz ZCKWVLQMBGVGCG-KRWDZBQOSA-N 0 0 334.416 2.405 10 10 EECERN COc1ccc(O)c(CNC(=O)Cc2c(C)nn(CC3CC3)c2C)c1 ZINC000845834172 789963741 /nfs/dbraw/zinc/96/37/41/789963741.db2.gz MWAMPWAMGHHSSB-UHFFFAOYSA-N 0 0 343.427 2.483 10 10 EECERN Cc1ccc(C(=O)NCc2cnc(C(F)(F)F)nc2)c(O)c1O ZINC001147160612 791720491 /nfs/dbraw/zinc/72/04/91/791720491.db2.gz PPQHNTVYBMZPDZ-UHFFFAOYSA-N 0 0 327.262 2.145 10 10 EECERN [O-]c1c(F)cc(Br)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000715743932 795494411 /nfs/dbraw/zinc/49/44/11/795494411.db2.gz DBAXYJKWUZXVCY-VIFPVBQESA-N 0 0 328.128 2.400 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001178916956 799699783 /nfs/dbraw/zinc/69/97/83/799699783.db2.gz FNFWQXPIOCXRMG-UHFFFAOYSA-N 0 0 339.351 2.418 10 10 EECERN CC(C)c1n[nH]cc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000788649427 807603390 /nfs/dbraw/zinc/60/33/90/807603390.db2.gz CAHZZDGEBHPJGN-UHFFFAOYSA-N 0 0 328.416 2.300 10 10 EECERN COc1nn(C)cc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000789330448 807951062 /nfs/dbraw/zinc/95/10/62/807951062.db2.gz MMVYQDLNWPSJSU-UHFFFAOYSA-N 0 0 329.404 2.351 10 10 EECERN COc1ccc(CNC(=O)N[C@H](C)c2ccncc2OC)c(O)c1 ZINC000793067963 810123880 /nfs/dbraw/zinc/12/38/80/810123880.db2.gz PPXCVPOBXWJTDZ-LLVKDONJSA-N 0 0 331.372 2.365 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)C(C)=O)ccc21 ZINC000808513607 812684814 /nfs/dbraw/zinc/68/48/14/812684814.db2.gz GZFCCRIYLRIQTM-UHFFFAOYSA-N 0 0 331.368 2.219 10 10 EECERN CS(C)(=O)=Nc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC001566359542 1125596728 /nfs/dbraw/zinc/59/67/28/1125596728.db2.gz GJUIOQWBBWWWGL-UHFFFAOYSA-N 0 0 334.397 2.387 10 10 EECERN COc1cccc(CNC(=O)Cc2cn3cc(F)ccc3n2)c1O ZINC001566374516 1125598040 /nfs/dbraw/zinc/59/80/40/1125598040.db2.gz LVJNVEPJKHTEON-UHFFFAOYSA-N 0 0 329.331 2.047 10 10 EECERN CCOC(=O)[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001441131352 1094459700 /nfs/dbraw/zinc/45/97/00/1094459700.db2.gz OQRHVELGRGDXBA-IAGOWNOFSA-N 0 0 330.428 2.443 10 10 EECERN COc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(O)cc2O)cc1 ZINC001451773936 1097920122 /nfs/dbraw/zinc/92/01/22/1097920122.db2.gz ZVZNOURXSLDMDA-UHFFFAOYSA-N 0 0 339.351 2.427 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001447564245 1102871739 /nfs/dbraw/zinc/87/17/39/1102871739.db2.gz PXMWBQOACJYOII-ZETCQYMHSA-N 0 0 329.278 2.201 10 10 EECERN COc1ccc(N2CC[C@@H](CNc3nc(N)nc(Cl)c3N)C2)cc1 ZINC001458444882 1109874400 /nfs/dbraw/zinc/87/44/00/1109874400.db2.gz ZNVXOUFQHLUENE-JTQLQIEISA-N 0 0 348.838 2.241 10 10 EECERN COc1ccc(CNC(=O)c2cc3cc[nH]c(=O)c3s2)c(O)c1 ZINC001467471538 1110456931 /nfs/dbraw/zinc/45/69/31/1110456931.db2.gz IKOUGTKYXPGWMZ-UHFFFAOYSA-N 0 0 330.365 2.234 10 10 EECERN CCC[C@@H](O)[C@@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001468859345 1110481230 /nfs/dbraw/zinc/48/12/30/1110481230.db2.gz GULLNTZKYJIHPL-UKRRQHHQSA-N 0 0 336.457 2.407 10 10 EECERN CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccc(O)cc2O)CC1 ZINC001469164052 1110486311 /nfs/dbraw/zinc/48/63/11/1110486311.db2.gz VNZTZTCYSPJHCB-UHFFFAOYSA-N 0 0 336.388 2.161 10 10 EECERN CCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001501330907 1113302304 /nfs/dbraw/zinc/30/23/04/1113302304.db2.gz ZAZAALOUFUIYDN-JSGCOSHPSA-N 0 0 345.403 2.274 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncoc1-c1ccon1 ZINC001523542062 1119809357 /nfs/dbraw/zinc/80/93/57/1119809357.db2.gz LTXLMSJAJKKCOY-UHFFFAOYSA-N 0 0 340.339 2.435 10 10 EECERN COc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ncn1 ZINC001523558665 1119810231 /nfs/dbraw/zinc/81/02/31/1119810231.db2.gz FRCQXJXISTUCEJ-UHFFFAOYSA-N 0 0 326.400 2.358 10 10 EECERN CC(C)[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001527034504 1120642169 /nfs/dbraw/zinc/64/21/69/1120642169.db2.gz QSDBASGDDIRJTK-NWDGAFQWSA-N 0 0 347.419 2.376 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001528188791 1120961902 /nfs/dbraw/zinc/96/19/02/1120961902.db2.gz LBRBZAQPVMOZGK-JOCQHMNTSA-N 0 0 347.415 2.473 10 10 EECERN COC(=O)c1ccc2c(n1)CCCN2C(=O)/C=C\c1cncc(F)c1 ZINC001539009632 1124041830 /nfs/dbraw/zinc/04/18/30/1124041830.db2.gz AAECWTIOTNGRIJ-DAXSKMNVSA-N 0 0 341.342 2.395 10 10 EECERN O=C(Nc1cccc(OCCn2cncn2)c1)C1=CC(=O)CS1 ZINC001541075872 1124098863 /nfs/dbraw/zinc/09/88/63/1124098863.db2.gz VRRIQBGGKOLEIA-UHFFFAOYSA-N 0 0 330.369 2.377 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC(C3OCCO3)CC2)cc1 ZINC001544675056 1124163431 /nfs/dbraw/zinc/16/34/31/1124163431.db2.gz WHUQDDBJNKHXKD-UHFFFAOYSA-N 0 0 332.360 2.074 10 10 EECERN COc1cccc([C@@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001545585066 1124197632 /nfs/dbraw/zinc/19/76/32/1124197632.db2.gz NBKBDQGUKGCTQR-HNNXBMFYSA-N 0 0 342.355 2.321 10 10 EECERN COc1cc(Br)cc([C@@H]2NC(=O)[C@@H]3CCCCN23)c1O ZINC000071967751 202365213 /nfs/dbraw/zinc/36/52/13/202365213.db2.gz KUDDFZMZRHUJMS-GXFFZTMASA-N 0 0 341.205 2.146 10 10 EECERN COc1ccc(N2CCN(C(=O)c3nnn(C(C)C)c3C)CC2)cc1 ZINC000292017452 238181731 /nfs/dbraw/zinc/18/17/31/238181731.db2.gz OCGLNBHWRRAFOZ-UHFFFAOYSA-N 0 0 343.431 2.138 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)Nc1ccccc1F ZINC000221940352 241484243 /nfs/dbraw/zinc/48/42/43/241484243.db2.gz OALXKGGDFIEMDR-VURMDHGXSA-N 0 0 331.299 2.432 10 10 EECERN CC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](O)C(F)F ZINC000297104577 465244900 /nfs/dbraw/zinc/24/49/00/465244900.db2.gz GECWQTAPPPMNBP-DGCLKSJQSA-N 0 0 333.354 2.096 10 10 EECERN C[C@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000071796089 463425518 /nfs/dbraw/zinc/42/55/18/463425518.db2.gz VVJCHPWLNLPPQZ-YJBOKZPZSA-N 0 0 347.459 2.405 10 10 EECERN CN(CCCC(=O)NCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC000269110954 463877780 /nfs/dbraw/zinc/87/77/80/463877780.db2.gz RFIKXCCEMZZJLK-UHFFFAOYSA-N 0 0 338.404 2.361 10 10 EECERN COc1ccc(O)c(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180747561 464384714 /nfs/dbraw/zinc/38/47/14/464384714.db2.gz PJPJMWCFXGUBKM-YOEHRIQHSA-N 0 0 333.384 2.318 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1F ZINC000174443776 464408697 /nfs/dbraw/zinc/40/86/97/464408697.db2.gz AREGQOBIUWPFAV-CQSZACIVSA-N 0 0 346.410 2.030 10 10 EECERN COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000293728060 464419404 /nfs/dbraw/zinc/41/94/04/464419404.db2.gz WDXVFKRZJHXRJT-JTQLQIEISA-N 0 0 340.786 2.027 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000182524889 464674943 /nfs/dbraw/zinc/67/49/43/464674943.db2.gz GRSVAYKNWMWPSF-HNNXBMFYSA-N 0 0 340.379 2.019 10 10 EECERN Cc1ccc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c(O)c1O ZINC000182617584 464695006 /nfs/dbraw/zinc/69/50/06/464695006.db2.gz YUUALWGOYCSKKH-LBPRGKRZSA-N 0 0 338.367 2.478 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275456306 464774136 /nfs/dbraw/zinc/77/41/36/464774136.db2.gz MFRNZXRATSDRPY-ZKKXHLJNSA-N 0 0 334.372 2.378 10 10 EECERN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(N(C)C)cc1 ZINC000191550864 464820885 /nfs/dbraw/zinc/82/08/85/464820885.db2.gz MDWVNRHUCJSCTE-UHFFFAOYSA-N 0 0 345.468 2.223 10 10 EECERN COC[C@H]1CCCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000364142951 466684341 /nfs/dbraw/zinc/68/43/41/466684341.db2.gz AHXJTWCHXAXVHK-NSHDSACASA-N 0 0 335.360 2.179 10 10 EECERN Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c(O)c1O ZINC000376269298 466902434 /nfs/dbraw/zinc/90/24/34/466902434.db2.gz HOAAQOZZQJGNQH-LLVKDONJSA-N 0 0 330.388 2.215 10 10 EECERN Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c(O)c1O ZINC000373745084 466908319 /nfs/dbraw/zinc/90/83/19/466908319.db2.gz PEXZGJXHHKPTSZ-LXIYXOSZSA-N 0 0 335.400 2.205 10 10 EECERN COCCOc1ncccc1NC(=O)N(C)Cc1ccccc1O ZINC000728121986 576474482 /nfs/dbraw/zinc/47/44/82/576474482.db2.gz SCHFNTMUUSPQGK-UHFFFAOYSA-N 0 0 331.372 2.476 10 10 EECERN COCCOc1ncccc1NC(=O)NCc1cccc(OC)c1O ZINC000729568800 576665587 /nfs/dbraw/zinc/66/55/87/576665587.db2.gz DBZMVTACGMFHCH-UHFFFAOYSA-N 0 0 347.371 2.143 10 10 EECERN C/C=C/C[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OCC ZINC000775117184 577430255 /nfs/dbraw/zinc/43/02/55/577430255.db2.gz ACVJIFFMFPXZKY-FVOPLDGLSA-N 0 0 338.360 2.297 10 10 EECERN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000769468111 577578601 /nfs/dbraw/zinc/57/86/01/577578601.db2.gz AGNDCCURBDYFJO-SNVBAGLBSA-N 0 0 348.262 2.021 10 10 EECERN CCN(Cc1ccccc1)C(=O)COC(=O)c1cccc(O)c1O ZINC000758559641 577627183 /nfs/dbraw/zinc/62/71/83/577627183.db2.gz FGBONXXYGFJNJD-UHFFFAOYSA-N 0 0 329.352 2.303 10 10 EECERN C[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756511413 577845430 /nfs/dbraw/zinc/84/54/30/577845430.db2.gz XDIPRSQRKXSYMK-CPCISQLKSA-N 0 0 331.185 2.223 10 10 EECERN CC(=O)CSCC(=O)NCc1cc(Br)ccc1O ZINC000804736506 675610933 /nfs/dbraw/zinc/61/09/33/675610933.db2.gz WJIBCRGNGYYTAN-UHFFFAOYSA-N 0 0 332.219 2.093 10 10 EECERN COc1ccc(O)c([C@H](C)NS(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000161191836 678282286 /nfs/dbraw/zinc/28/22/86/678282286.db2.gz OKWRQGGODRHNRJ-NEPJUHHUSA-N 0 0 328.434 2.028 10 10 EECERN CNC(=O)[C@@H]1CCCN1Cc1cc(C)cc(Br)c1O ZINC000781903032 679286679 /nfs/dbraw/zinc/28/66/79/679286679.db2.gz WJMILXGWOLQRKW-LBPRGKRZSA-N 0 0 327.222 2.174 10 10 EECERN COC(=O)[C@@H]1CN(Cc2cccc(OC)c2O)c2ccc(F)cc2O1 ZINC000895139812 684092801 /nfs/dbraw/zinc/09/28/01/684092801.db2.gz PKJAAQVGPVQQQJ-INIZCTEOSA-N 0 0 347.342 2.481 10 10 EECERN CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@H]1C[C@@H]1C ZINC001746166811 1187577067 /nfs/dbraw/zinc/57/70/67/1187577067.db2.gz LXEOSUBQULRUQC-SUHUHFCYSA-N 0 0 345.403 2.130 10 10 EECERN C[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000133337542 1190871542 /nfs/dbraw/zinc/87/15/42/1190871542.db2.gz FJZSOOZCDNVJPA-LURJTMIESA-N 0 0 339.027 2.388 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)co1 ZINC001137464847 1248640191 /nfs/dbraw/zinc/64/01/91/1248640191.db2.gz SNZSHDMKKGNNMV-UHFFFAOYSA-N 0 0 326.146 2.426 10 10 EECERN Cc1nccnc1[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000871914120 1197970811 /nfs/dbraw/zinc/97/08/11/1197970811.db2.gz KFRIMOSNTVIFFI-GFCCVEGCSA-N 0 0 326.356 2.016 10 10 EECERN COc1ccc(N2CC[C@H](NC(=S)NCc3cc(C)on3)C2)cc1 ZINC000865240933 1198136590 /nfs/dbraw/zinc/13/65/90/1198136590.db2.gz QSBLSOZLECWCBT-ZDUSSCGKSA-N 0 0 346.456 2.235 10 10 EECERN CO[C@H]1CN2C(=O)N(CCCSc3nccs3)C(=O)[C@]2(C)C1 ZINC000865303510 1198160409 /nfs/dbraw/zinc/16/04/09/1198160409.db2.gz HHAGMLOWTWGTHC-YGRLFVJLSA-N 0 0 341.458 2.067 10 10 EECERN COC(=O)c1cc(OCc2cn(CC3CC3)nn2)ccc1N(C)C ZINC000865395130 1198195260 /nfs/dbraw/zinc/19/52/60/1198195260.db2.gz KLERSTIHFXWJFU-UHFFFAOYSA-N 0 0 330.388 2.120 10 10 EECERN C[C@@](O)(C(=O)NCc1cc(Br)ccc1O)C1CCC1 ZINC000813609520 1199113457 /nfs/dbraw/zinc/11/34/57/1199113457.db2.gz MCGRKSLXZSDIOO-AWEZNQCLSA-N 0 0 328.206 2.322 10 10 EECERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCC1(F)F ZINC000870920467 1200955868 /nfs/dbraw/zinc/95/58/68/1200955868.db2.gz WQRKRLCAMXVLJH-NSHDSACASA-N 0 0 343.326 2.067 10 10 EECERN COc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)n(C)n1 ZINC000881250300 1201665401 /nfs/dbraw/zinc/66/54/01/1201665401.db2.gz ZVHRLRTYNLRULA-UHFFFAOYSA-N 0 0 330.388 2.335 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1O ZINC000868410456 1201807812 /nfs/dbraw/zinc/80/78/12/1201807812.db2.gz MIZINCUBMMVQSY-UAGQMJEPSA-N 0 0 347.459 2.396 10 10 EECERN COc1ccc([C@@]2(C(=O)NCc3c(O)cccc3F)C[C@@H](O)C2)cc1 ZINC000928713071 1206414349 /nfs/dbraw/zinc/41/43/49/1206414349.db2.gz ZUYXKZRYXHGGIT-HJGJAMNPSA-N 0 0 345.370 2.249 10 10 EECERN C[C@H](NS(=O)(=O)c1cnn(CC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000778081405 1207581903 /nfs/dbraw/zinc/58/19/03/1207581903.db2.gz JKAMENNITRCXEO-ZDUSSCGKSA-N 0 0 348.472 2.399 10 10 EECERN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Cc1ccccc1 ZINC000779533378 1210422203 /nfs/dbraw/zinc/42/22/03/1210422203.db2.gz FPKSYMWWEHDQHO-AORWBKJGSA-N 0 0 325.364 2.428 10 10 EECERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000194893050 1211284040 /nfs/dbraw/zinc/28/40/40/1211284040.db2.gz XYULTTMGKYTRQF-UHFFFAOYSA-N 0 0 332.335 2.433 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)Nc1ccccc1F ZINC000095430684 1215393884 /nfs/dbraw/zinc/39/38/84/1215393884.db2.gz OALXKGGDFIEMDR-SOFGYWHQSA-N 0 0 331.299 2.432 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000305255623 1216160553 /nfs/dbraw/zinc/16/05/53/1216160553.db2.gz WLIHVYRNNQWGRI-OCCSQVGLSA-N 0 0 327.384 2.483 10 10 EECERN CN(C)c1ccc(/C=C\CN2CCN(c3nccn3C)CC2)cc1 ZINC000827884989 1248928002 /nfs/dbraw/zinc/92/80/02/1248928002.db2.gz NCXMGGVGAFJZNI-PLNGDYQASA-N 0 0 325.460 2.322 10 10 EECERN CCOc1ccc(N(CC)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801521282 1235770595 /nfs/dbraw/zinc/77/05/95/1235770595.db2.gz FGCNCERODCMVFL-CQSZACIVSA-N 0 0 326.462 2.193 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](C(F)F)C2)cc1F ZINC000802060069 1236790129 /nfs/dbraw/zinc/79/01/29/1236790129.db2.gz DNCIINHEJHIRAK-CYBMUJFWSA-N 0 0 331.338 2.067 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)c1 ZINC000903356768 1240300850 /nfs/dbraw/zinc/30/08/50/1240300850.db2.gz GQNFSMSKMIIGSJ-ACJLOTCBSA-N 0 0 337.416 2.414 10 10 EECERN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826846499 1248089454 /nfs/dbraw/zinc/08/94/54/1248089454.db2.gz VQFOAESVKNTPDU-NSHDSACASA-N 0 0 337.221 2.268 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCCS1 ZINC001152401090 1284986713 /nfs/dbraw/zinc/98/67/13/1284986713.db2.gz KBWSECKTZGDHIS-CYBMUJFWSA-N 0 0 343.832 2.443 10 10 EECERN CCc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)on1 ZINC000852139178 1292008400 /nfs/dbraw/zinc/00/84/00/1292008400.db2.gz LZCALXQINAESBG-AWEZNQCLSA-N 0 0 344.415 2.324 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)(C)OC[C@@H]3C)C2)cc1 ZINC000852452443 1292117994 /nfs/dbraw/zinc/11/79/94/1292117994.db2.gz XSVPHQLNMKCIMJ-LSDHHAIUSA-N 0 0 347.459 2.483 10 10 EECERN Cc1cc(CC(=O)O[C@@H]2CCN(C)C2=O)c(C)n1-c1ccccc1 ZINC000853127568 1292291223 /nfs/dbraw/zinc/29/12/23/1292291223.db2.gz GECQHZNBTDTCLE-QGZVFWFLSA-N 0 0 326.396 2.411 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C(=O)c3ccc(F)cc3)C2)cc1 ZINC000853818835 1292469757 /nfs/dbraw/zinc/46/97/57/1292469757.db2.gz ZQMLNGZSHSHAOW-OAHLLOKOSA-N 0 0 342.370 2.412 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(C)=O)c[nH]3)C2)cc1 ZINC000853817445 1292469856 /nfs/dbraw/zinc/46/98/56/1292469856.db2.gz FLQOZPKBKPIMBE-CQSZACIVSA-N 0 0 327.384 2.235 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCc3ccncc3)C2)cc1 ZINC000853863774 1292496364 /nfs/dbraw/zinc/49/63/64/1292496364.db2.gz YHMBGXCTXZVESA-MRXNPFEDSA-N 0 0 340.427 2.211 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NC[C@H](OC)[C@@H]1CCOC1 ZINC000854276305 1292700586 /nfs/dbraw/zinc/70/05/86/1292700586.db2.gz LVKYYSRJVZNJFW-WBVHZDCISA-N 0 0 336.432 2.365 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](CO)CC3)C2)cc1 ZINC000854296702 1292707917 /nfs/dbraw/zinc/70/79/17/1292707917.db2.gz GGGCOQSERDEBQQ-HOTGVXAUSA-N 0 0 347.459 2.078 10 10 EECERN CCc1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c(C)nn1 ZINC000855224123 1293116772 /nfs/dbraw/zinc/11/67/72/1293116772.db2.gz DLLLCMQYNBYGAS-HNNXBMFYSA-N 0 0 340.427 2.365 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3snnc3C3CC3)C2)cc1 ZINC000855225241 1293117643 /nfs/dbraw/zinc/11/76/43/1293117643.db2.gz JDFHQBPXRBDERH-GFCCVEGCSA-N 0 0 344.440 2.433 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(O)cccc3O)C2)cc1 ZINC000857302426 1293787305 /nfs/dbraw/zinc/78/73/05/1293787305.db2.gz QSSZKBAPQGHAOI-LBPRGKRZSA-N 0 0 328.368 2.115 10 10 EECERN CCOC(=O)C[C@H](O)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863164531 1296135215 /nfs/dbraw/zinc/13/52/15/1296135215.db2.gz MRASRYLORXQFFG-KRWDZBQOSA-N 0 0 344.411 2.024 10 10 EECERN Cc1nnc(NNC(=S)Nc2ccc(OC(F)F)cc2)n1C ZINC000863206677 1296149713 /nfs/dbraw/zinc/14/97/13/1296149713.db2.gz VDPSQDJFEUUSFD-UHFFFAOYSA-N 0 0 328.348 2.038 10 10 EECERN CN(C)c1ccc(CN2C(=O)N[C@H](C[C@H]3CCCOC3)C2=O)cc1F ZINC000863503191 1296312566 /nfs/dbraw/zinc/31/25/66/1296312566.db2.gz YIDAEUDYAFZXEI-UKRRQHHQSA-N 0 0 349.406 2.129 10 10 EECERN CC(C)(C)c1nnc2ccc(C(=O)NCc3cccc(O)c3O)cn21 ZINC001123978209 1310788035 /nfs/dbraw/zinc/78/80/35/1310788035.db2.gz RHOUOHVCMYVBCP-UHFFFAOYSA-N 0 0 340.383 2.368 10 10 EECERN COC(=O)[C@H]1CN(C(=O)/C=C\c2ccc(C)nc2)c2ccccc2O1 ZINC001124735578 1310943421 /nfs/dbraw/zinc/94/34/21/1310943421.db2.gz WHLKPEUMRDSELZ-DOOKAGJSSA-N 0 0 338.363 2.370 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)[C@H]1CCOC1 ZINC001137913885 1314516812 /nfs/dbraw/zinc/51/68/12/1314516812.db2.gz JQSIWHLSWDQVHF-UONOGXRCSA-N 0 0 334.441 2.283 10 10 EECERN C=CC(=O)NCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001141722614 1315258443 /nfs/dbraw/zinc/25/84/43/1315258443.db2.gz DITSKUAXCVLUKC-UHFFFAOYSA-N 0 0 335.367 2.027 10 10 EECERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841347235 1315536139 /nfs/dbraw/zinc/53/61/39/1315536139.db2.gz OZZMRKZZJSWLAQ-KSSFIOAISA-N 0 0 331.460 2.119 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cc(F)ccc1N1CCOCC1 ZINC001153884696 1316907928 /nfs/dbraw/zinc/90/79/28/1316907928.db2.gz FWTQFEKXQDFFTC-UHFFFAOYSA-N 0 0 346.358 2.004 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC001153884782 1316908532 /nfs/dbraw/zinc/90/85/32/1316908532.db2.gz HYCKDZDDMWNWCL-GOEBONIOSA-N 0 0 327.336 2.018 10 10 EECERN COC(=O)c1cccc2c1CCN(C(=O)c1cccc(O)c1O)C2 ZINC001160831051 1320283321 /nfs/dbraw/zinc/28/33/21/1320283321.db2.gz ISNFOBYCKHYDHH-UHFFFAOYSA-N 0 0 327.336 2.083 10 10 EECERN Cc1cc(C(=O)Cn2cnc(C)cc2=O)c(C)n1-c1ccc(F)cn1 ZINC001165933762 1321620789 /nfs/dbraw/zinc/62/07/89/1321620789.db2.gz VAEISIMCWMGWLX-UHFFFAOYSA-N 0 0 340.358 2.376 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCN2CC(F)F)cc1 ZINC001166854671 1321801932 /nfs/dbraw/zinc/80/19/32/1321801932.db2.gz OSEVHUSQSNQCLU-LBPRGKRZSA-N 0 0 339.346 2.308 10 10 EECERN COC(=O)/C=C\[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001263985051 1322577716 /nfs/dbraw/zinc/57/77/16/1322577716.db2.gz IEEJTECDLCXDIY-LAUAKBEESA-N 0 0 327.384 2.337 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2cccc(-n3cncn3)n2)cc1 ZINC001290291542 1328171918 /nfs/dbraw/zinc/17/19/18/1328171918.db2.gz YKZAPUBFRKSXMP-UHFFFAOYSA-N 0 0 336.399 2.001 10 10 EECERN CCC(=O)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001297495122 1329976772 /nfs/dbraw/zinc/97/67/72/1329976772.db2.gz BKAQEVBUPUQMNJ-UHFFFAOYSA-N 0 0 345.403 2.418 10 10 EECERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1Cc1cnn(C)c1 ZINC001298364284 1330064297 /nfs/dbraw/zinc/06/42/97/1330064297.db2.gz XOCKUUQSWIUKLJ-UHFFFAOYSA-N 0 0 338.415 2.279 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC001303695562 1331364041 /nfs/dbraw/zinc/36/40/41/1331364041.db2.gz GIJMEYZYZCVZSF-HNNXBMFYSA-N 0 0 344.346 2.322 10 10 EECERN Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)n1 ZINC001322916707 1333352524 /nfs/dbraw/zinc/35/25/24/1333352524.db2.gz VXVUVPNPHBXVLP-UHFFFAOYSA-N 0 0 340.427 2.279 10 10 EECERN COc1ccc(N2CC[C@H](Nc3ncnc4nc(N)ccc43)C2)cc1 ZINC001327714239 1334338457 /nfs/dbraw/zinc/33/84/57/1334338457.db2.gz LONPXRRABNFAFJ-LBPRGKRZSA-N 0 0 336.399 2.306 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)C(C)(F)F ZINC001329409380 1334644093 /nfs/dbraw/zinc/64/40/93/1334644093.db2.gz IIPFCACLLUNGME-UHFFFAOYSA-N 0 0 328.359 2.148 10 10 EECERN CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc1 ZINC001333175560 1335976671 /nfs/dbraw/zinc/97/66/71/1335976671.db2.gz IFZXWPOPKMXXNV-VGOKWCNXSA-N 0 0 342.443 2.032 10 10 EECERN COC(=O)[C@]1(C(=O)NCc2cccc(O)c2O)C[C@@H]1c1ccccc1 ZINC001350315756 1337695011 /nfs/dbraw/zinc/69/50/11/1337695011.db2.gz RFQKEPRTDCQXJD-AUUYWEPGSA-N 0 0 341.363 2.061 10 10 EECERN COC(=O)[C@@H]1CN(C(=O)/C(C)=C\c2cccnc2)c2ccccc2O1 ZINC001352206617 1337904461 /nfs/dbraw/zinc/90/44/61/1337904461.db2.gz JAMMYYKVRZETMZ-QFSNBGPKSA-N 0 0 338.363 2.452 10 10 EECERN NC(=O)c1ccc(OCCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001557386660 1342448000 /nfs/dbraw/zinc/44/80/00/1342448000.db2.gz KIJOUJIORVNCRT-UHFFFAOYSA-N 0 0 348.786 2.230 10 10 EECERN C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1O ZINC001557965775 1342461127 /nfs/dbraw/zinc/46/11/27/1342461127.db2.gz MWDUUTXPSAOVHN-LLVKDONJSA-N 0 0 334.397 2.255 10 10 EECERN CC(C)NC(=O)NC1(C(=O)NCc2cccc(O)c2O)CCCCC1 ZINC001558161376 1342467127 /nfs/dbraw/zinc/46/71/27/1342467127.db2.gz MHTBQYCBOSPBRS-UHFFFAOYSA-N 0 0 349.431 2.125 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cn(-c2ccccc2Cl)nn1 ZINC001558533592 1342480342 /nfs/dbraw/zinc/48/03/42/1342480342.db2.gz ICNZENOLBMBDJK-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC001566370176 1342571126 /nfs/dbraw/zinc/57/11/26/1342571126.db2.gz PHDFHEPKIBKSTL-UHFFFAOYSA-N 0 0 342.326 2.260 10 10 EECERN CNC(=O)Nc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC001567467124 1342764910 /nfs/dbraw/zinc/76/49/10/1342764910.db2.gz BIVOZWIQKLUEHN-LLVKDONJSA-N 0 0 343.383 2.210 10 10 EECERN Cn1nc(C(=O)NCc2ccccc2O)cc1NC(=O)OC(C)(C)C ZINC001622773120 1352389110 /nfs/dbraw/zinc/38/91/10/1352389110.db2.gz WQMMRDPLFZKMLA-UHFFFAOYSA-N 0 0 346.387 2.403 10 10 EECERN COc1cnc(C(=O)NCc2ccc3cccnc3c2O)c(F)c1 ZINC001630532771 1352570064 /nfs/dbraw/zinc/57/00/64/1352570064.db2.gz PYNOBDYCTQIRTF-UHFFFAOYSA-N 0 0 327.315 2.413 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC001633322795 1352608854 /nfs/dbraw/zinc/60/88/54/1352608854.db2.gz FETMUELQYLRFMZ-WDBKCZKBSA-N 0 0 325.455 2.136 10 10 EECERN COc1ccc(N(Cc2nnn(C)n2)Cc2ccccc2)cc1OC ZINC001655148741 1354166361 /nfs/dbraw/zinc/16/63/61/1354166361.db2.gz QUCVEGXZBLPHGI-UHFFFAOYSA-N 0 0 339.399 2.434 10 10 EECERN CCOCc1nc([C@@H](C)NC(=O)NCc2c(O)cccc2F)no1 ZINC001681647862 1358049087 /nfs/dbraw/zinc/04/90/87/1358049087.db2.gz XDBBQMKKOPBCKJ-SECBINFHSA-N 0 0 338.339 2.011 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)c1 ZINC000918745480 769365292 /nfs/dbraw/zinc/36/52/92/769365292.db2.gz MGBSVQCEWBWKOQ-ZANVPECISA-N 0 0 348.321 2.167 10 10 EECERN CCCOc1ccnc(CC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC001135824966 784537245 /nfs/dbraw/zinc/53/72/45/784537245.db2.gz AEKFJPHTKQIVID-UHFFFAOYSA-N 0 0 328.416 2.190 10 10 EECERN CCC/C=C/[C@H](O)C(=O)NCc1cc(Br)ccc1O ZINC000908169879 785133657 /nfs/dbraw/zinc/13/36/57/785133657.db2.gz CFLQIIWHJQALPO-IHVVCDCBSA-N 0 0 328.206 2.488 10 10 EECERN Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccc(O)c(O)c2)c1C ZINC001136121537 785195414 /nfs/dbraw/zinc/19/54/14/785195414.db2.gz UGDSZVTZITVNJH-UHFFFAOYSA-N 0 0 342.395 2.354 10 10 EECERN Cc1c(CC(=O)NCCc2ccc(N)cc2)nnn1-c1ccc(C)cc1 ZINC000818544566 785288454 /nfs/dbraw/zinc/28/84/54/785288454.db2.gz BLEAWGFUUMQGPB-UHFFFAOYSA-N 0 0 349.438 2.368 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]2C(F)(F)F)cc1 ZINC000821270298 786647600 /nfs/dbraw/zinc/64/76/00/786647600.db2.gz KMUHDUFQLUKNMZ-CQSZACIVSA-N 0 0 329.366 2.348 10 10 EECERN CCc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)[nH]c(C)c1C(N)=O ZINC000163877617 789038102 /nfs/dbraw/zinc/03/81/02/789038102.db2.gz JTAPKMHDLBOGMO-UHFFFAOYSA-N 0 0 346.406 2.120 10 10 EECERN C[C@H](NC(=O)c1coc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000844486477 789150368 /nfs/dbraw/zinc/15/03/68/789150368.db2.gz XJUBKZSZFUPMMG-NSHDSACASA-N 0 0 336.413 2.240 10 10 EECERN COCCOCCN1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000846116492 790055063 /nfs/dbraw/zinc/05/50/63/790055063.db2.gz IHAQYGOOQGYHRG-UHFFFAOYSA-N 0 0 342.867 2.135 10 10 EECERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H]1C1CCC1)cc2=O ZINC000846247268 790118332 /nfs/dbraw/zinc/11/83/32/790118332.db2.gz SNXKAORASOYJGP-CQSZACIVSA-N 0 0 330.388 2.288 10 10 EECERN CC(C)(C)OC(=O)COCC(=O)NCc1cc(Cl)ccc1O ZINC000846477164 790194399 /nfs/dbraw/zinc/19/43/99/790194399.db2.gz QFVWXXPFMZBWKV-UHFFFAOYSA-N 0 0 329.780 2.020 10 10 EECERN Cn1nc(C(F)(F)F)cc1CNC(=O)NCc1ccccc1O ZINC000915525375 796299780 /nfs/dbraw/zinc/29/97/80/796299780.db2.gz NVPZHHFBZWEURC-UHFFFAOYSA-N 0 0 328.294 2.144 10 10 EECERN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccnn1C ZINC000817553704 800919890 /nfs/dbraw/zinc/91/98/90/800919890.db2.gz JFPAIXLWZIWIOL-ZBFHGGJFSA-N 0 0 343.427 2.437 10 10 EECERN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1(C)CCCC1 ZINC000787855560 807288027 /nfs/dbraw/zinc/28/80/27/807288027.db2.gz CJBXSAHOHNKPQF-UHFFFAOYSA-N 0 0 326.418 2.168 10 10 EECERN CSCCCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788930876 807748632 /nfs/dbraw/zinc/74/86/32/807748632.db2.gz WMTWXNSHQRBGDJ-UHFFFAOYSA-N 0 0 349.500 2.162 10 10 EECERN COc1ncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1Cl ZINC000792860589 810034528 /nfs/dbraw/zinc/03/45/28/810034528.db2.gz VZXAIXWJLJHJRJ-UHFFFAOYSA-N 0 0 337.715 2.195 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(F)(F)CC1 ZINC000792842346 810042401 /nfs/dbraw/zinc/04/24/01/810042401.db2.gz QPTFWNJUVRDOFT-UHFFFAOYSA-N 0 0 339.386 2.464 10 10 EECERN O=C(NCc1cocn1)NCc1cc(Br)ccc1O ZINC000805090338 811148090 /nfs/dbraw/zinc/14/80/90/811148090.db2.gz MKEJQVOYRZYILF-UHFFFAOYSA-N 0 0 326.150 2.142 10 10 EECERN COc1ncc(/C=C\C(=O)N2CCOc3c(F)ccc(F)c32)cn1 ZINC001130765978 812010496 /nfs/dbraw/zinc/01/04/96/812010496.db2.gz ONZNWILRGNVTCJ-DJWKRKHSSA-N 0 0 333.294 2.202 10 10 EECERN CC(=O)C(=O)COC(=O)CSc1nccn1-c1cc(C)cc(C)c1 ZINC000808497181 812665786 /nfs/dbraw/zinc/66/57/86/812665786.db2.gz SMPOXQGBJXTNCK-UHFFFAOYSA-N 0 0 346.408 2.283 10 10 EECERN CC(=O)C(=O)COC(=O)C1(c2cccc(Br)c2)CC1 ZINC000808499968 812697172 /nfs/dbraw/zinc/69/71/72/812697172.db2.gz CCKIMXVXVWZTJP-UHFFFAOYSA-N 0 0 325.158 2.182 10 10 EECERN CCc1c(C)nn(-c2cccc(C(=O)OCC(=O)C(C)=O)c2)c1C ZINC000808532869 812704330 /nfs/dbraw/zinc/70/43/30/812704330.db2.gz ODMINCXWIQFPFY-UHFFFAOYSA-N 0 0 328.368 2.366 10 10 EECERN COc1cc(OC)nc(C(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC001445898851 1091826045 /nfs/dbraw/zinc/82/60/45/1091826045.db2.gz FLBQGGDJQHKXIE-UHFFFAOYSA-N 0 0 343.383 2.008 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cn(-c2cccc(Cl)c2)nn1 ZINC001451773483 1097919880 /nfs/dbraw/zinc/91/98/80/1097919880.db2.gz YASNKZMLQAAIGN-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)C3=C[S@](=O)CCC3)C2)cc1 ZINC001452034489 1098138127 /nfs/dbraw/zinc/13/81/27/1098138127.db2.gz UJZITSJDJIUGAM-JBEBIEQOSA-N 0 0 348.468 2.064 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001452518196 1105534914 /nfs/dbraw/zinc/53/49/14/1105534914.db2.gz CCOAHNSDZUZOJB-RWMBFGLXSA-N 0 0 347.419 2.077 10 10 EECERN COc1cn(-c2ccccc2)nc1C(=O)NCc1cc(O)ccc1O ZINC001455350355 1108466325 /nfs/dbraw/zinc/46/63/25/1108466325.db2.gz SDYVFAQIYLYMRN-UHFFFAOYSA-N 0 0 339.351 2.222 10 10 EECERN COc1ccc2c(c1)OC[C@H]2CC(=O)NCc1c(O)cccc1O ZINC001456237681 1109119133 /nfs/dbraw/zinc/11/91/33/1109119133.db2.gz VXYYLLLXGJJBEG-LLVKDONJSA-N 0 0 329.352 2.289 10 10 EECERN Cn1ccc(=O)c(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1 ZINC001457409037 1109590349 /nfs/dbraw/zinc/59/03/49/1109590349.db2.gz PEZPFFXRHNWDOX-UHFFFAOYSA-N 0 0 345.362 2.347 10 10 EECERN Cc1noc(-c2ccc(CNC(=O)Cc3ccc(O)c(O)c3)cc2)n1 ZINC001466703981 1110441521 /nfs/dbraw/zinc/44/15/21/1110441521.db2.gz QPZIYGOIYZJUEM-UHFFFAOYSA-N 0 0 339.351 2.315 10 10 EECERN COC(=O)Cc1ccccc1CNC(=O)c1ccc(C)c(O)c1O ZINC001467954623 1110466527 /nfs/dbraw/zinc/46/65/27/1110466527.db2.gz HXIFEMGTRAVPTF-UHFFFAOYSA-N 0 0 329.352 2.052 10 10 EECERN Cc1nccnc1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001468466880 1110474937 /nfs/dbraw/zinc/47/49/37/1110474937.db2.gz FAQBIXWGMLTTAP-UHFFFAOYSA-N 0 0 329.381 2.383 10 10 EECERN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)cn1 ZINC001472064250 1110540750 /nfs/dbraw/zinc/54/07/50/1110540750.db2.gz YNAUPVAZKADMOC-UHFFFAOYSA-N 0 0 344.367 2.378 10 10 EECERN CN(C)c1ccc(CNC(=O)c2sccc2-n2ccnn2)cc1F ZINC001527013444 1120639025 /nfs/dbraw/zinc/63/90/25/1120639025.db2.gz DXSBHDUIKYKPSC-UHFFFAOYSA-N 0 0 345.403 2.464 10 10 EECERN Cc1cc(CNC(=O)c2ccc(=O)n(C)n2)c(C)n1-c1ccccc1 ZINC001535136529 1123516793 /nfs/dbraw/zinc/51/67/93/1123516793.db2.gz QSTLZRAFCLWYEA-UHFFFAOYSA-N 0 0 336.395 2.118 10 10 EECERN COc1ccc(CNC(=O)c2cnc(-c3ccccn3)nc2)c(O)c1 ZINC001568098047 1124301336 /nfs/dbraw/zinc/30/13/36/1124301336.db2.gz TWKQMVCFQJGLBC-UHFFFAOYSA-N 0 0 336.351 2.183 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1ccnc2ccnn21 ZINC001568605696 1124628014 /nfs/dbraw/zinc/62/80/14/1124628014.db2.gz RSICGBZSFYGFAH-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnnc1 ZINC000132266842 237220078 /nfs/dbraw/zinc/22/00/78/237220078.db2.gz RBNCEABQUNIMBD-ZDUSSCGKSA-N 0 0 348.353 2.477 10 10 EECERN O=C(NCc1ccco1)C1=C2CCCN2c2ccccc2S1(=O)=O ZINC000065239775 462745848 /nfs/dbraw/zinc/74/58/48/462745848.db2.gz NFZIJPRDPFLYCB-UHFFFAOYSA-N 0 0 344.392 2.195 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCc2ccnn2C)cc1F ZINC000066927144 462949044 /nfs/dbraw/zinc/94/90/44/462949044.db2.gz MNESNNJKNZZMIT-UHFFFAOYSA-N 0 0 333.411 2.405 10 10 EECERN Cc1cc(NCc2ccc(N3CCNC(=O)C3)cc2)ccc1[N+](=O)[O-] ZINC000052049661 463059161 /nfs/dbraw/zinc/05/91/61/463059161.db2.gz IEUDEJWOPYMADZ-UHFFFAOYSA-N 0 0 340.383 2.452 10 10 EECERN O=C(CC1CCCCC1)NCc1ccc(N2CCNC(=O)C2)cc1 ZINC000058228654 463557142 /nfs/dbraw/zinc/55/71/42/463557142.db2.gz RNDTYSJNQNUKJO-UHFFFAOYSA-N 0 0 329.444 2.209 10 10 EECERN COC(=O)CCCCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058573806 463609832 /nfs/dbraw/zinc/60/98/32/463609832.db2.gz OVCNONMWUUFDAS-UHFFFAOYSA-N 0 0 325.384 2.034 10 10 EECERN C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Br)cc(F)c1[O-] ZINC000185973993 463915099 /nfs/dbraw/zinc/91/50/99/463915099.db2.gz GZQCSIRMGMRWJK-GXSJLCMTSA-N 0 0 347.228 2.275 10 10 EECERN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])C2=O)n(C)n1 ZINC000186327610 463977946 /nfs/dbraw/zinc/97/79/46/463977946.db2.gz HWBBFWHKCDAOMX-WFASDCNBSA-N 0 0 346.406 2.419 10 10 EECERN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(N)cc3)CC(=O)N2C)cc1 ZINC000237304354 464300365 /nfs/dbraw/zinc/30/03/65/464300365.db2.gz ZHXKFHCYBSQHIQ-SJLPKXTDSA-N 0 0 339.395 2.436 10 10 EECERN C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000189000566 464412078 /nfs/dbraw/zinc/41/20/78/464412078.db2.gz UNEFFAVCVZQSOC-ZFWWWQNUSA-N 0 0 336.407 2.094 10 10 EECERN COc1cc(Cl)cc(CN2CCN(c3cc(C)[nH]n3)CC2)c1O ZINC000189015302 464415642 /nfs/dbraw/zinc/41/56/42/464415642.db2.gz CCQUYGWSMKIJOV-UHFFFAOYSA-N 0 0 336.823 2.408 10 10 EECERN COc1cc(O)c(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1OC ZINC000285041103 464435064 /nfs/dbraw/zinc/43/50/64/464435064.db2.gz JCEDESFNNCYYML-UHFFFAOYSA-N 0 0 329.400 2.432 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000181205864 464457700 /nfs/dbraw/zinc/45/77/00/464457700.db2.gz JFJJYEAQCQOLLR-CSPWOOARSA-N 0 0 326.352 2.186 10 10 EECERN CC(C)c1nnc2n1CCN(Cc1cc3c(cc1O)OCO3)[C@@H]2C ZINC000190224392 464609725 /nfs/dbraw/zinc/60/97/25/464609725.db2.gz XSUUXJSKAICBJE-LLVKDONJSA-N 0 0 330.388 2.413 10 10 EECERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272659723 464683524 /nfs/dbraw/zinc/68/35/24/464683524.db2.gz OKEATCMQZLUQKH-IYNGYCSASA-N 0 0 333.384 2.301 10 10 EECERN COc1cc(Cl)cc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1O ZINC000184675143 465017027 /nfs/dbraw/zinc/01/70/27/465017027.db2.gz QDOJIJBMBWCDOL-OAHLLOKOSA-N 0 0 346.814 2.466 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000301749198 466023318 /nfs/dbraw/zinc/02/33/18/466023318.db2.gz ADHPHSOKYCLMGE-AGMJWKPSSA-N 0 0 334.372 2.378 10 10 EECERN Cc1n[nH]cc1-c1nnc(NC(=O)N(C)Cc2ccccc2O)s1 ZINC000364623798 466708730 /nfs/dbraw/zinc/70/87/30/466708730.db2.gz PSXASTKJQHJVMH-UHFFFAOYSA-N 0 0 344.400 2.606 10 10 EECERN CC(C)(C)C[C@H](O)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000291447649 527702483 /nfs/dbraw/zinc/70/24/83/527702483.db2.gz GSSJRWXRORIQNM-QGZVFWFLSA-N 0 0 334.460 2.327 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3COCCO3)ccc21 ZINC000729099826 576598972 /nfs/dbraw/zinc/59/89/72/576598972.db2.gz JZYOCBLGHLIIIS-MRXNPFEDSA-N 0 0 347.411 2.477 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@H]3C(C)C)CC2)cc1 ZINC000771964990 577242087 /nfs/dbraw/zinc/24/20/87/577242087.db2.gz BPPQXNYUTLECLC-OALUTQOASA-N 0 0 345.487 2.226 10 10 EECERN CCN(Cc1cn(C)nn1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773627041 577355387 /nfs/dbraw/zinc/35/53/87/577355387.db2.gz VQWHXOVVMDKGOI-CYBMUJFWSA-N 0 0 330.436 2.174 10 10 EECERN CN(C)c1ccc(CN(C(=O)NCc2ccn(C)n2)C2CC2)cc1 ZINC000766268798 577516254 /nfs/dbraw/zinc/51/62/54/577516254.db2.gz JVMUOWSLVNVMAR-UHFFFAOYSA-N 0 0 327.432 2.360 10 10 EECERN CC(C)(C)n1nnnc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000766815773 577525227 /nfs/dbraw/zinc/52/52/27/577525227.db2.gz YGYJHMWJVQHYAQ-OAHLLOKOSA-N 0 0 345.447 2.315 10 10 EECERN COC(=O)Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000762263412 577698327 /nfs/dbraw/zinc/69/83/27/577698327.db2.gz HIHYPIXCZZQWDE-UHFFFAOYSA-N 0 0 330.340 2.249 10 10 EECERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1cccc(OC)c1O ZINC000763480503 577721690 /nfs/dbraw/zinc/72/16/90/577721690.db2.gz NKBYCWHTJIOSLX-OAHLLOKOSA-N 0 0 330.384 2.060 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1cncnc1 ZINC000764356992 577734829 /nfs/dbraw/zinc/73/48/29/577734829.db2.gz TUCSYRKGHXWBCA-CQSZACIVSA-N 0 0 342.468 2.450 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)C1CCOCC1 ZINC000742246231 577870013 /nfs/dbraw/zinc/87/00/13/577870013.db2.gz WDZFLTNWHDLZKZ-GOSISDBHSA-N 0 0 334.460 2.277 10 10 EECERN O=C1N=C(N2CCOCC2)SC1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000742430759 577872903 /nfs/dbraw/zinc/87/29/03/577872903.db2.gz ARCUJTJSKZQRGD-UVTDQMKNSA-N 0 0 340.408 2.379 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H]([C@@H]4CCOC4)C3)cc2N1 ZINC000747844948 577951312 /nfs/dbraw/zinc/95/13/12/577951312.db2.gz NEWSSVDKBMJZSF-NWDGAFQWSA-N 0 0 347.371 2.179 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC(=O)CC1 ZINC000748025089 577953768 /nfs/dbraw/zinc/95/37/68/577953768.db2.gz XOAYYQGHHPRVNQ-UHFFFAOYSA-N 0 0 348.418 2.162 10 10 EECERN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccon3)cc2F)C[C@@H](C)O1 ZINC000740741084 578106587 /nfs/dbraw/zinc/10/65/87/578106587.db2.gz MFWBWSDLQUPUIB-CHWSQXEVSA-N 0 0 347.390 2.286 10 10 EECERN O=C(NCC[C@H](O)C(F)(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000736654109 578216633 /nfs/dbraw/zinc/21/66/33/578216633.db2.gz YVZHYOFZEAGQKD-AWEZNQCLSA-N 0 0 345.365 2.399 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@]2(CCO)CCOC2)cc1 ZINC000177599507 675923282 /nfs/dbraw/zinc/92/32/82/675923282.db2.gz ZUTSLXLKENSDPC-IBGZPJMESA-N 0 0 349.475 2.121 10 10 EECERN C[C@@](O)(CC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000804740622 675612308 /nfs/dbraw/zinc/61/23/08/675612308.db2.gz JWYKSBGTKARTTQ-CQSZACIVSA-N 0 0 328.206 2.322 10 10 EECERN Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c(O)c1O ZINC000177663268 681436199 /nfs/dbraw/zinc/43/61/99/681436199.db2.gz NSBXTAMJBUOKCY-GFCCVEGCSA-N 0 0 338.367 2.478 10 10 EECERN CN(CCN1CCCC1=O)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896332329 684941979 /nfs/dbraw/zinc/94/19/79/684941979.db2.gz KEVINYCECULXMM-UHFFFAOYSA-N 0 0 334.397 2.007 10 10 EECERN Cc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccn1C ZINC000195289864 685006983 /nfs/dbraw/zinc/00/69/83/685006983.db2.gz VMLFJOQILAAXGW-UHFFFAOYSA-N 0 0 345.418 2.364 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000896580606 685092900 /nfs/dbraw/zinc/09/29/00/685092900.db2.gz CJTLRPDEKVWPNQ-ZDUSSCGKSA-N 0 0 347.314 2.452 10 10 EECERN O=C(N[C@H]1CCn2ccnc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000897448329 690558560 /nfs/dbraw/zinc/55/85/60/690558560.db2.gz IXLLVBLBOHDRTR-JTQLQIEISA-N 0 0 329.381 2.254 10 10 EECERN CO[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCOC1 ZINC000898580456 693382402 /nfs/dbraw/zinc/38/24/02/693382402.db2.gz KOTMWMVPBMDIFL-ZANVPECISA-N 0 0 337.397 2.094 10 10 EECERN COc1ccc(CNC(=O)c2ccc3c(c2)nc(C)[nH]c3=O)c(O)c1 ZINC001626079984 1194327555 /nfs/dbraw/zinc/32/75/55/1194327555.db2.gz RLVMPIOAGUEPNT-UHFFFAOYSA-N 0 0 339.351 2.288 10 10 EECERN C[C@]12CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@H]1C2(F)F ZINC000813609826 1199114285 /nfs/dbraw/zinc/11/42/85/1199114285.db2.gz MMPOCVOONOGVDC-OCCSQVGLSA-N 0 0 339.298 2.407 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000875717213 1199359275 /nfs/dbraw/zinc/35/92/75/1199359275.db2.gz YAWTYWDXCYHSSX-ZTFGCOKTSA-N 0 0 347.459 2.219 10 10 EECERN C/C(=C/C(=O)N(C)c1ccc(N2CCOCC2)cc1)c1cnccn1 ZINC000875854806 1199410508 /nfs/dbraw/zinc/41/05/08/1199410508.db2.gz LKMUWONHIREYNK-SQFISAMPSA-N 0 0 338.411 2.380 10 10 EECERN COC[C@H]1CCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000814364598 1199446088 /nfs/dbraw/zinc/44/60/88/1199446088.db2.gz INXQSMJCRZZKAA-RHSMWYFYSA-N 0 0 333.432 2.015 10 10 EECERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871198033 1201096431 /nfs/dbraw/zinc/09/64/31/1201096431.db2.gz DYDVBKLWERGRSP-SFHVURJKSA-N 0 0 336.391 2.208 10 10 EECERN Cc1cccc([C@H](CC(=O)N2Cc3cccc(O)c3C2)NC(N)=O)c1 ZINC000871199615 1201096715 /nfs/dbraw/zinc/09/67/15/1201096715.db2.gz ZXZLVXRKZPTRGM-INIZCTEOSA-N 0 0 339.395 2.343 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC000866597134 1201557411 /nfs/dbraw/zinc/55/74/11/1201557411.db2.gz NWFQJTBUZPWVGD-UHFFFAOYSA-N 0 0 345.399 2.353 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]nc2[C@H]2CCCO2)c1 ZINC000866762979 1201600345 /nfs/dbraw/zinc/60/03/45/1201600345.db2.gz BJFFFDBYOYJSBU-ZUZCIYMTSA-N 0 0 331.372 2.466 10 10 EECERN C[C@H](NC(=O)NC[C@@H]1CCCN1CC(F)F)c1ccccc1O ZINC000868803716 1201882809 /nfs/dbraw/zinc/88/28/09/1201882809.db2.gz MWFIATCZNQWVKN-RYUDHWBXSA-N 0 0 327.375 2.482 10 10 EECERN Nc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000927826096 1206307178 /nfs/dbraw/zinc/30/71/78/1206307178.db2.gz KRBWFWPGZGTUOY-CYBMUJFWSA-N 0 0 345.296 2.100 10 10 EECERN CCNC(=O)C(C)(C)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000155298368 1208323570 /nfs/dbraw/zinc/32/35/70/1208323570.db2.gz AJDYECNDZCBELR-UHFFFAOYSA-N 0 0 342.399 2.143 10 10 EECERN C[C@@H]1CCN(c2cc(C(=O)NCc3ccc(O)c(O)c3)ccn2)C1 ZINC000778913817 1208400138 /nfs/dbraw/zinc/40/01/38/1208400138.db2.gz DITYVVGRHYDKPD-GFCCVEGCSA-N 0 0 327.384 2.269 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H]1COc2ccccc2O1 ZINC000779534081 1210423584 /nfs/dbraw/zinc/42/35/84/1210423584.db2.gz NKBHNPRGDVTZHS-IQCBXXCUSA-N 0 0 341.363 2.457 10 10 EECERN Fc1cc(CN2CCO[C@@H](C(F)F)C2)ccc1N1CCOCC1 ZINC000802652711 1237925609 /nfs/dbraw/zinc/92/56/09/1237925609.db2.gz FYDBKTSAQDIYHS-OAHLLOKOSA-N 0 0 330.350 2.128 10 10 EECERN C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903280183 1240165713 /nfs/dbraw/zinc/16/57/13/1240165713.db2.gz TVLJZIJNXKIXBA-ZUZCIYMTSA-N 0 0 349.258 2.043 10 10 EECERN C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903281397 1240168528 /nfs/dbraw/zinc/16/85/28/1240168528.db2.gz PHXNDPVHPSTRLP-ZUZCIYMTSA-N 0 0 349.258 2.043 10 10 EECERN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000827164891 1250319198 /nfs/dbraw/zinc/31/91/98/1250319198.db2.gz RUTRXYFAFSUBBG-BXKDBHETSA-N 0 0 333.837 2.110 10 10 EECERN COc1ccc([C@@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001137398530 1247964548 /nfs/dbraw/zinc/96/45/48/1247964548.db2.gz SWBGQNBEHUQNGX-HNNXBMFYSA-N 0 0 342.355 2.321 10 10 EECERN CCOCc1cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)ccc1OC ZINC000850367627 1277202575 /nfs/dbraw/zinc/20/25/75/1277202575.db2.gz AWXUQHWBZFVVMY-CZUORRHYSA-N 0 0 341.473 2.287 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(F)(F)F)ncn1 ZINC000867301643 1285498732 /nfs/dbraw/zinc/49/87/32/1285498732.db2.gz CXERHUMFZNMSTG-QMMMGPOBSA-N 0 0 341.289 2.268 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[C@@H]3OC)C2)cc1 ZINC000852239136 1292057101 /nfs/dbraw/zinc/05/71/01/1292057101.db2.gz KXTAHMGUFHXTGP-VKJFTORMSA-N 0 0 347.459 2.388 10 10 EECERN CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852452294 1292117875 /nfs/dbraw/zinc/11/78/75/1292117875.db2.gz UWYGQDKELUINMP-CRAIPNDOSA-N 0 0 347.459 2.484 10 10 EECERN C[C@@]12COC[C@H]1CN(C(=O)NCCCSc1nccs1)C2 ZINC000853854520 1292490638 /nfs/dbraw/zinc/49/06/38/1292490638.db2.gz BIYJMULYIGFZQT-BXUZGUMPSA-N 0 0 327.475 2.303 10 10 EECERN O=C(NCCCSc1nccs1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000853858174 1292493006 /nfs/dbraw/zinc/49/30/06/1292493006.db2.gz LOKMBUKKLQPTHV-NEPJUHHUSA-N 0 0 327.475 2.303 10 10 EECERN C[C@H](NC(=O)N1CC[C@@H](O)C(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000854004771 1292579676 /nfs/dbraw/zinc/57/96/76/1292579676.db2.gz VSCFOXIPHYVECE-SMDDNHRTSA-N 0 0 327.375 2.225 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCCOC(C)(C)C3)C2)cc1 ZINC000854300722 1292711615 /nfs/dbraw/zinc/71/16/15/1292711615.db2.gz YXTMJMYHXFLPOU-HNNXBMFYSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(O)ccc3OC)C2)cc1 ZINC000855224148 1293116311 /nfs/dbraw/zinc/11/63/11/1293116311.db2.gz DXPWTHBHYVYTLA-ZDUSSCGKSA-N 0 0 342.395 2.418 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnc(C4CC4)nc3)C2)cc1 ZINC000855227036 1293119984 /nfs/dbraw/zinc/11/99/84/1293119984.db2.gz SYFKTJZSWKUVMH-HNNXBMFYSA-N 0 0 338.411 2.371 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(C)nc3)C2)cc1 ZINC000855232754 1293122243 /nfs/dbraw/zinc/12/22/43/1293122243.db2.gz UJIVTYVBJPLVPY-MRXNPFEDSA-N 0 0 325.412 2.336 10 10 EECERN CCOc1cccnc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231097 1293122277 /nfs/dbraw/zinc/12/22/77/1293122277.db2.gz JSAUIDDHFXBMAN-AWEZNQCLSA-N 0 0 341.411 2.498 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 ZINC000855235077 1293123156 /nfs/dbraw/zinc/12/31/56/1293123156.db2.gz WKAMPGBPHIRHIK-LLVKDONJSA-N 0 0 331.328 2.205 10 10 EECERN Cc1cc(CC(=O)N(C[C@H](C)O)[C@@H](C)CO)c(C)n1-c1ccccc1 ZINC000857188043 1293750770 /nfs/dbraw/zinc/75/07/70/1293750770.db2.gz KEOBLOFCBWIFBB-HOTGVXAUSA-N 0 0 344.455 2.227 10 10 EECERN COCCC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000858660759 1294183814 /nfs/dbraw/zinc/18/38/14/1294183814.db2.gz FNSDCZWVHRYTTO-UHFFFAOYSA-N 0 0 335.360 2.179 10 10 EECERN C[C@H](NC(=O)COCc1cc[nH]c(=O)c1)c1ccc(N(C)C)cc1 ZINC000860950128 1295186993 /nfs/dbraw/zinc/18/69/93/1295186993.db2.gz JMNCYNQPSITQIV-ZDUSSCGKSA-N 0 0 329.400 2.247 10 10 EECERN Nc1ccc(CCNC(=O)NC[C@@H]2Cc3ccccc3CO2)cc1 ZINC000861642041 1295487234 /nfs/dbraw/zinc/48/72/34/1295487234.db2.gz YWLXXLIJLIWBOG-SFHVURJKSA-N 0 0 325.412 2.252 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cncc(OC)c3C)CC2)cc1 ZINC000864470673 1296554808 /nfs/dbraw/zinc/55/48/08/1296554808.db2.gz MUXBXTYYYHAUIO-UHFFFAOYSA-N 0 0 341.411 2.370 10 10 EECERN Cc1ccncc1N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000799058393 1305145151 /nfs/dbraw/zinc/14/51/51/1305145151.db2.gz PQDKVRHMSZBEEJ-HWKANZROSA-N 0 0 339.395 2.163 10 10 EECERN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C(=O)O1 ZINC001248370692 1310897338 /nfs/dbraw/zinc/89/73/38/1310897338.db2.gz GTVNGFOXNOOYOW-CZUORRHYSA-N 0 0 331.416 2.132 10 10 EECERN CCn1ncc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC001125089617 1310984809 /nfs/dbraw/zinc/98/48/09/1310984809.db2.gz FWPXETBLDYAJJV-UHFFFAOYSA-N 0 0 346.346 2.326 10 10 EECERN CC[C@H]1[C@H](CO)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000838485977 1315169681 /nfs/dbraw/zinc/16/96/81/1315169681.db2.gz KXKFRSNALHEFNI-WMZOPIPTSA-N 0 0 329.444 2.365 10 10 EECERN COc1ccc(N2CC[C@@H](COC(=O)c3ccc(=O)n(C)c3)C2)cc1 ZINC000842879377 1315790007 /nfs/dbraw/zinc/79/00/07/1315790007.db2.gz RRHGIZXHBUTCAJ-CQSZACIVSA-N 0 0 342.395 2.077 10 10 EECERN C[C@H](NC(=O)Cc1ccccc1S(C)(=O)=O)c1ccccc1O ZINC001151892069 1316603740 /nfs/dbraw/zinc/60/37/40/1316603740.db2.gz HOEDXCCJYNYRIT-LBPRGKRZSA-N 0 0 333.409 2.216 10 10 EECERN CCS(=O)(=O)c1cccc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001152574251 1316691387 /nfs/dbraw/zinc/69/13/87/1316691387.db2.gz RIWNWHXZCGGAEM-UHFFFAOYSA-N 0 0 331.393 2.342 10 10 EECERN Cc1cc(CC(=O)N[C@H](CO)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001152915667 1316743309 /nfs/dbraw/zinc/74/33/09/1316743309.db2.gz SUWICOZHEXTRQP-QFBILLFUSA-N 0 0 342.439 2.150 10 10 EECERN Cc1cc(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(C)n1-c1ccccc1C ZINC001155973688 1317811248 /nfs/dbraw/zinc/81/12/48/1317811248.db2.gz WPQKNVRMCURNTM-GJWQZFMSSA-N 0 0 328.412 2.017 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001299574965 1319528264 /nfs/dbraw/zinc/52/82/64/1319528264.db2.gz USRHHGCZWHTHMQ-AWEZNQCLSA-N 0 0 341.285 2.466 10 10 EECERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001284869051 1326752246 /nfs/dbraw/zinc/75/22/46/1326752246.db2.gz QKGAMESJDJRUNS-AWEZNQCLSA-N 0 0 345.403 2.370 10 10 EECERN CC(C)[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001290334931 1328177513 /nfs/dbraw/zinc/17/75/13/1328177513.db2.gz VEIJKGJWFLFGDE-KRWDZBQOSA-N 0 0 346.475 2.328 10 10 EECERN Cc1onc(CO)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001290375282 1328188763 /nfs/dbraw/zinc/18/87/63/1328188763.db2.gz YNXXUHKXURVHAF-UHFFFAOYSA-N 0 0 329.400 2.348 10 10 EECERN CCCOc1ccnc(CC(=O)N[C@H](C)c2cc(OC)ccc2O)n1 ZINC001294937464 1329765791 /nfs/dbraw/zinc/76/57/91/1329765791.db2.gz QOBPEHPDWGMTEA-GFCCVEGCSA-N 0 0 345.399 2.400 10 10 EECERN CN(Cc1ccccc1O)c1nnc(-c2cnccn2)n1CC1CC1 ZINC001298363273 1330064220 /nfs/dbraw/zinc/06/42/20/1330064220.db2.gz BHWNKMVVPCVCSV-UHFFFAOYSA-N 0 0 336.399 2.487 10 10 EECERN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(CF)CCC3)cc2)C1 ZINC001327133640 1334231025 /nfs/dbraw/zinc/23/10/25/1334231025.db2.gz IHZKDEMSUUZZDL-OAHLLOKOSA-N 0 0 347.434 2.144 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@@H](CC(=O)[O-])C2CCOCC2)cc1F ZINC001329311236 1334625060 /nfs/dbraw/zinc/62/50/60/1334625060.db2.gz RSBULUAUXGQOES-HNNXBMFYSA-N 0 0 342.386 2.390 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCSC(C)(C)C2)cc1 ZINC001333759303 1336124938 /nfs/dbraw/zinc/12/49/38/1336124938.db2.gz SZZZIRTYVPPBIN-AWEZNQCLSA-N 0 0 349.500 2.159 10 10 EECERN CCOc1ccc(N2CCN(C(=O)CCCCC(=O)OC)CC2)cc1 ZINC001338499268 1336869349 /nfs/dbraw/zinc/86/93/49/1336869349.db2.gz OISIKCNOLLALQX-UHFFFAOYSA-N 0 0 348.443 2.467 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cc(-c3cccnc3)nn2C)cc1 ZINC001348909339 1337586575 /nfs/dbraw/zinc/58/65/75/1337586575.db2.gz HMRFYTYUIMKYNB-UHFFFAOYSA-N 0 0 335.411 2.478 10 10 EECERN CN(CCc1ccccc1F)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001351827768 1337854337 /nfs/dbraw/zinc/85/43/37/1337854337.db2.gz NWPFTUGGRIDQFX-UHFFFAOYSA-N 0 0 342.370 2.075 10 10 EECERN C[C@H](NC(=O)NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000847355774 1337974510 /nfs/dbraw/zinc/97/45/10/1337974510.db2.gz GNXWHJKDZRLFSO-LRDDRELGSA-N 0 0 346.431 2.096 10 10 EECERN C[C@@H](NC(=O)NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000847355776 1337974585 /nfs/dbraw/zinc/97/45/85/1337974585.db2.gz GNXWHJKDZRLFSO-WBMJQRKESA-N 0 0 346.431 2.096 10 10 EECERN COc1ccc(N2CC[C@@H](N3C(=O)CN(C4CCCC4)C3=O)C2)cc1 ZINC000849358584 1339154269 /nfs/dbraw/zinc/15/42/69/1339154269.db2.gz ZGTBAVBDVSWUAM-MRXNPFEDSA-N 0 0 343.427 2.481 10 10 EECERN COC(=O)Nc1ccc(CCNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001610944028 1352292186 /nfs/dbraw/zinc/29/21/86/1352292186.db2.gz VKIOOXWVQBFKSL-UHFFFAOYSA-N 0 0 348.330 2.388 10 10 EECERN Oc1cccc(O)c1CNc1ncnc2c1nnn2Cc1ccccc1 ZINC001612970084 1352312858 /nfs/dbraw/zinc/31/28/58/1352312858.db2.gz RIERGFOTCNUBNW-UHFFFAOYSA-N 0 0 348.366 2.293 10 10 EECERN COc1ccc(/C=C\C(=O)NCc2cccc(O)c2O)cc1OC ZINC001558161040 1342467222 /nfs/dbraw/zinc/46/72/22/1342467222.db2.gz FNQHOHJJKJXZBQ-CLFYSBASSA-N 0 0 329.352 2.445 10 10 EECERN O=C(Nc1n[nH]c(-c2ccncc2)n1)c1ccc(C2=S=CC=C2)o1 ZINC001584090518 1348720476 /nfs/dbraw/zinc/72/04/76/1348720476.db2.gz PNACXJYTNDKTAG-UHFFFAOYSA-N 0 0 337.364 2.338 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(-c3ccn(C)n3)on2)c1 ZINC001595806436 1349895818 /nfs/dbraw/zinc/89/58/18/1349895818.db2.gz KNBLPUQBXOIDCL-JTQLQIEISA-N 0 0 342.355 2.280 10 10 EECERN COc1ccc(C(=O)NCc2c(O)cccc2O)c(OC)c1OC ZINC001597569822 1349928239 /nfs/dbraw/zinc/92/82/39/1349928239.db2.gz ULGMZIYFCHDWAZ-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN COc1cnc(C2(NC(=O)C3=CC(=O)CS3)CCCC2)[nH]c1=O ZINC001597945118 1349933861 /nfs/dbraw/zinc/93/38/61/1349933861.db2.gz WVKRNXQQWXTXNY-UHFFFAOYSA-N 0 0 335.385 2.157 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](NC(=O)OCC)C(C)C ZINC001623573844 1352400439 /nfs/dbraw/zinc/40/04/39/1352400439.db2.gz GIIWRXWIYZJNDO-CQSZACIVSA-N 0 0 343.420 2.265 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(N2CCOC2=O)cc1 ZINC001625448958 1352449050 /nfs/dbraw/zinc/44/90/50/1352449050.db2.gz FKMNQXXKHHZYIE-UHFFFAOYSA-N 0 0 328.324 2.236 10 10 EECERN CC(=O)N1CCc2c1cccc2NC(=O)Cc1ccc(O)c(O)c1 ZINC001625734367 1352456140 /nfs/dbraw/zinc/45/61/40/1352456140.db2.gz YRWZQKRVMNZNNT-UHFFFAOYSA-N 0 0 326.352 2.188 10 10 EECERN O=C(NCCCSc1nccs1)c1cc2n(n1)CCC[C@H]2O ZINC001632807394 1352602385 /nfs/dbraw/zinc/60/23/85/1352602385.db2.gz WNDJEWTUBOCQRU-GFCCVEGCSA-N 0 0 338.458 2.079 10 10 EECERN Cc1c(=O)n(C)c2ccccc2c1C(=O)NCc1cccc(O)c1O ZINC001637045836 1352671440 /nfs/dbraw/zinc/67/14/40/1352671440.db2.gz JNWBAOPMANHIKV-UHFFFAOYSA-N 0 0 338.363 2.188 10 10 EECERN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(O)c1O ZINC001640114695 1352706317 /nfs/dbraw/zinc/70/63/17/1352706317.db2.gz GPOSXJSHJCFIQQ-CQSZACIVSA-N 0 0 343.379 2.310 10 10 EECERN Cc1c(C(=O)NCc2cc(O)ccc2O)nnn1-c1ccc(C)cc1 ZINC001644752315 1352768079 /nfs/dbraw/zinc/76/80/79/1352768079.db2.gz AMTCTZFFWFBVOS-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN COC(CNC(=O)/C=C/c1ccc(O)c(O)c1)(OC)c1ccccc1 ZINC001647991154 1353412839 /nfs/dbraw/zinc/41/28/39/1353412839.db2.gz KOQFJVBPDHAYDX-PKNBQFBNSA-N 0 0 343.379 2.373 10 10 EECERN O=C(C[C@@H]1CCC2(CCOCC2)CO1)NCc1cc(O)ccc1O ZINC001651225590 1354045037 /nfs/dbraw/zinc/04/50/37/1354045037.db2.gz PSQYKMWSRMDFSF-HNNXBMFYSA-N 0 0 335.400 2.080 10 10 EECERN COC(=O)c1ccc(COc2ccc(N(C)C)c(C(=O)OC)c2)o1 ZINC001653033655 1354111242 /nfs/dbraw/zinc/11/12/42/1354111242.db2.gz MXHVUGHUTADJEE-UHFFFAOYSA-N 0 0 333.340 2.498 10 10 EECERN C[C@H](NC(=O)N1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC001681778367 1358069821 /nfs/dbraw/zinc/06/98/21/1358069821.db2.gz ASIVYSZXTCCLGM-GBJTYRQASA-N 0 0 346.475 2.463 10 10 EECERN COc1ccc(N2CCN(C(=O)/C=C\c3cncc(O)c3)CC2)cc1 ZINC000588408922 759632568 /nfs/dbraw/zinc/63/25/68/759632568.db2.gz USZNVULDIIPYEQ-UQCOIBPSSA-N 0 0 339.395 2.158 10 10 EECERN CC[C@@H](NC(=O)NCCCSc1nccs1)[C@H](O)C(F)F ZINC000838512982 781098223 /nfs/dbraw/zinc/09/82/23/781098223.db2.gz BYSMWQNTCHVMPO-BDAKNGLRSA-N 0 0 339.433 2.329 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(N2CCCC2=O)cc1 ZINC001135770009 784415612 /nfs/dbraw/zinc/41/56/12/784415612.db2.gz UTRPUDJUAKCBJG-UHFFFAOYSA-N 0 0 326.352 2.406 10 10 EECERN CCc1nc(C)c(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)n1 ZINC000907274457 784491095 /nfs/dbraw/zinc/49/10/95/784491095.db2.gz QWUZAWVABZXDIP-LLVKDONJSA-N 0 0 343.427 2.357 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)c3cncnc3)C2)cc1 ZINC000819589044 785598126 /nfs/dbraw/zinc/59/81/26/785598126.db2.gz PZZGGVHFPUKKHR-LSDHHAIUSA-N 0 0 340.427 2.231 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC1(O)CCOCC1 ZINC000910557585 786898416 /nfs/dbraw/zinc/89/84/16/786898416.db2.gz HNJHTDUMNKLHJJ-OAHLLOKOSA-N 0 0 334.460 2.040 10 10 EECERN CC[C@H](O)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000822884206 787432600 /nfs/dbraw/zinc/43/26/00/787432600.db2.gz ZTYXLFQULUQJDM-ROUUACIJSA-N 0 0 334.460 2.421 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000823732916 787890027 /nfs/dbraw/zinc/89/00/27/787890027.db2.gz JHGROGKJRMKWLC-QRTARXTBSA-N 0 0 347.484 2.421 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000913000315 788537817 /nfs/dbraw/zinc/53/78/17/788537817.db2.gz GSGYWNOPAFFNIB-TZMCWYRMSA-N 0 0 334.416 2.478 10 10 EECERN COc1ccc(N(C)C[C@@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000844353592 789037506 /nfs/dbraw/zinc/03/75/06/789037506.db2.gz RSOYFLQRZDQVEC-CQSZACIVSA-N 0 0 331.368 2.300 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000921545639 789157175 /nfs/dbraw/zinc/15/71/75/789157175.db2.gz UQINAMDYBYYTHP-ZBEGNZNMSA-N 0 0 340.420 2.385 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1coc(Br)c1 ZINC000156724610 789256409 /nfs/dbraw/zinc/25/64/09/789256409.db2.gz MJRVUFFFMULORB-UHFFFAOYSA-N 0 0 326.146 2.426 10 10 EECERN CN(C)c1ccc(CNC(=O)Cc2cn3c(n2)CCCC3)cc1F ZINC000845336845 789737272 /nfs/dbraw/zinc/73/72/72/789737272.db2.gz VXWFZYDNPQDTQJ-UHFFFAOYSA-N 0 0 330.407 2.283 10 10 EECERN CC(C)O[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000845638832 789898405 /nfs/dbraw/zinc/89/84/05/789898405.db2.gz PBXOZUQUVKHRAD-LLVKDONJSA-N 0 0 335.360 2.320 10 10 EECERN C[C@H]1CC[C@]2(CC[N@H+](Cc3cc(=O)n4ncc(C(=O)[O-])c4[nH]3)C2)C1 ZINC000846260367 790107781 /nfs/dbraw/zinc/10/77/81/790107781.db2.gz ZGGUGXRUZYVGNW-GTNSWQLSSA-N 0 0 330.388 2.145 10 10 EECERN COC(=O)N(C)CC[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715805073 795536938 /nfs/dbraw/zinc/53/69/38/795536938.db2.gz UPWLWGVGANHQGR-UHFFFAOYSA-N 0 0 349.200 2.424 10 10 EECERN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1Cc2cccc(O)c2C1 ZINC001175029270 797969444 /nfs/dbraw/zinc/96/94/44/797969444.db2.gz ACPGKHKTJXEORR-ZDUSSCGKSA-N 0 0 326.327 2.500 10 10 EECERN Cc1cc(-c2nc(C(=O)NCc3cc(O)ccc3O)co2)ccn1 ZINC001176755035 798570368 /nfs/dbraw/zinc/57/03/68/798570368.db2.gz KWEVCSMJHQEUEW-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN Cn1cc(C(=O)NCc2c(O)cccc2F)c(-c2cccnc2)n1 ZINC001178413523 799467698 /nfs/dbraw/zinc/46/76/98/799467698.db2.gz UFBAZPYPFQFOAL-UHFFFAOYSA-N 0 0 326.331 2.257 10 10 EECERN CCc1csc(-n2cc(C(=O)NCc3c(O)cccc3O)cn2)n1 ZINC001178910352 799695926 /nfs/dbraw/zinc/69/59/26/799695926.db2.gz CURQIXMUZDDVNC-UHFFFAOYSA-N 0 0 344.396 2.232 10 10 EECERN Cc1cc(C(=O)OCCC2CS(=O)(=O)C2)c(C)n1-c1ccccn1 ZINC000790644911 808862395 /nfs/dbraw/zinc/86/23/95/808862395.db2.gz BVXYDXQJRFGLMJ-UHFFFAOYSA-N 0 0 348.424 2.081 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccnc1F ZINC000792842985 810042303 /nfs/dbraw/zinc/04/23/03/810042303.db2.gz XGMLNZCZZHWYFA-UHFFFAOYSA-N 0 0 344.390 2.057 10 10 EECERN C[C@H]1CC[C@H](C)N(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277637 811813006 /nfs/dbraw/zinc/81/30/06/811813006.db2.gz GTYBBAAIJKMKBV-RYUDHWBXSA-N 0 0 341.502 2.389 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000808510190 812681507 /nfs/dbraw/zinc/68/15/07/812681507.db2.gz IEVLNESAFYDWHQ-NEPJUHHUSA-N 0 0 325.158 2.254 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000808512161 812682109 /nfs/dbraw/zinc/68/21/09/812682109.db2.gz HBGGLEIBHRGEJX-UHFFFAOYSA-N 0 0 330.340 2.349 10 10 EECERN COc1ccc(Nc2nc(C(=O)OCC(=O)C(C)=O)cs2)cc1 ZINC000808521995 812691273 /nfs/dbraw/zinc/69/12/73/812691273.db2.gz KXTATHKZXCCIKF-UHFFFAOYSA-N 0 0 334.353 2.210 10 10 EECERN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001450893382 1095429361 /nfs/dbraw/zinc/42/93/61/1095429361.db2.gz IXZUWYWSIHQOKN-SFHVURJKSA-N 0 0 335.400 2.221 10 10 EECERN O=C(Cc1cccc(N2CCCC2=O)c1)NCc1cc(O)ccc1O ZINC001455356327 1108474737 /nfs/dbraw/zinc/47/47/37/1108474737.db2.gz YATVKHZJOPCXLH-UHFFFAOYSA-N 0 0 340.379 2.084 10 10 EECERN O=S1(=O)N=C(Cl)c2ccc(NCc3cc(O)ccc3O)cc21 ZINC001458572243 1109896056 /nfs/dbraw/zinc/89/60/56/1109896056.db2.gz PNTUZPCUGKWNNB-UHFFFAOYSA-N 0 0 338.772 2.398 10 10 EECERN CCC[C@@H](O)CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001546152005 1110411550 /nfs/dbraw/zinc/41/15/50/1110411550.db2.gz OOBOFKJDRULWPL-CYBMUJFWSA-N 0 0 343.807 2.098 10 10 EECERN O=C(CCc1cn[nH]n1)N(Cc1ccco1)Cc1ccccc1O ZINC001465841315 1110424812 /nfs/dbraw/zinc/42/48/12/1110424812.db2.gz SFJORWNTMRSPAF-UHFFFAOYSA-N 0 0 326.356 2.265 10 10 EECERN NC(=O)c1cc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)ncn1 ZINC001472662268 1110561727 /nfs/dbraw/zinc/56/17/27/1110561727.db2.gz KGPCQPGNZULECI-UHFFFAOYSA-N 0 0 337.358 2.490 10 10 EECERN COc1ccc(C[NH2+]C2(CNC(=O)c3c[nH]nc3C)CC2)cc1C ZINC001499306411 1112227668 /nfs/dbraw/zinc/22/76/68/1112227668.db2.gz VWOBUFKQYVMWCK-UHFFFAOYSA-N 0 0 328.416 2.087 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)c1coc2c1C(=O)NCCC2 ZINC001520358849 1119149742 /nfs/dbraw/zinc/14/97/42/1119149742.db2.gz HZGABTFQDZVKPE-UHFFFAOYSA-N 0 0 346.730 2.398 10 10 EECERN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cccc(O)c1O ZINC001520509738 1119171218 /nfs/dbraw/zinc/17/12/18/1119171218.db2.gz UYYOWIHPPSXTQJ-NSHDSACASA-N 0 0 338.404 2.360 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001521852720 1119279790 /nfs/dbraw/zinc/27/97/90/1119279790.db2.gz ZKHMFJSRGNVDMS-QWRGUYRKSA-N 0 0 333.306 2.462 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1CCCNC(=O)C(C)C ZINC001543150802 1124121773 /nfs/dbraw/zinc/12/17/73/1124121773.db2.gz KZSPMKRTQILVMS-UHFFFAOYSA-N 0 0 345.447 2.091 10 10 EECERN CC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](O)C(F)F ZINC000297062261 529514440 /nfs/dbraw/zinc/51/44/40/529514440.db2.gz DDDAQIDHIZBWIC-DZGCQCFKSA-N 0 0 341.402 2.273 10 10 EECERN COCc1nc([C@H]2COCCN2Cc2cc(C)c(C)cc2O)no1 ZINC000374801965 238275612 /nfs/dbraw/zinc/27/56/12/238275612.db2.gz PFCJPHQDYHTVSB-CQSZACIVSA-N 0 0 333.388 2.112 10 10 EECERN CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NN1CCOCC1 ZINC000102545600 204040406 /nfs/dbraw/zinc/04/04/06/204040406.db2.gz IFGBTAIUMHRFMU-GHRIWEEISA-N 0 0 346.406 2.439 10 10 EECERN COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000125736385 463573470 /nfs/dbraw/zinc/57/34/70/463573470.db2.gz AITJNZOHOINEMJ-MSOLQXFVSA-N 0 0 332.444 2.439 10 10 EECERN Cc1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(O)c1O ZINC000187662086 464148641 /nfs/dbraw/zinc/14/86/41/464148641.db2.gz SYTFFDOWWJCDKB-JSGCOSHPSA-N 0 0 333.409 2.316 10 10 EECERN Oc1ccc(F)cc1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000180098957 464241466 /nfs/dbraw/zinc/24/14/66/464241466.db2.gz OJCACXUUCJVJKA-IBGZPJMESA-N 0 0 330.403 2.383 10 10 EECERN COc1c(CN(C)c2cc(OC)c(OC)c(OC)c2)c(C)nn1C ZINC000180758781 464387294 /nfs/dbraw/zinc/38/72/94/464387294.db2.gz KUXROXUALOZBMZ-UHFFFAOYSA-N 0 0 335.404 2.399 10 10 EECERN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(OC)c3O)[C@H]2C1 ZINC000293669076 464417162 /nfs/dbraw/zinc/41/71/62/464417162.db2.gz OQXMTKYKELFORC-LSDHHAIUSA-N 0 0 340.851 2.349 10 10 EECERN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000294606173 464550075 /nfs/dbraw/zinc/55/00/75/464550075.db2.gz NYLQOLIJKSUIAD-ZWKOTPCHSA-N 0 0 332.444 2.345 10 10 EECERN C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000294638749 464561462 /nfs/dbraw/zinc/56/14/62/464561462.db2.gz KDZJXFHNNYWWAN-DGCLKSJQSA-N 0 0 328.815 2.480 10 10 EECERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000175730503 464610899 /nfs/dbraw/zinc/61/08/99/464610899.db2.gz ZLNCURAZQUXJSQ-CQSZACIVSA-N 0 0 346.410 2.126 10 10 EECERN COc1ccc2c(c1)CCCCN2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000374916657 466760205 /nfs/dbraw/zinc/76/02/05/466760205.db2.gz QHXVRSFARCUBHT-AWEZNQCLSA-N 0 0 338.473 2.119 10 10 EECERN COC(=O)[C@@H](CNC(=O)C1=CC(=O)CS1)Cc1cccc(F)c1 ZINC000732289121 577166676 /nfs/dbraw/zinc/16/66/76/577166676.db2.gz LGVLRGPVRGZXHS-LLVKDONJSA-N 0 0 337.372 2.355 10 10 EECERN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000772319284 577264193 /nfs/dbraw/zinc/26/41/93/577264193.db2.gz OATOHKRRPOGOLG-SZMVWBNQSA-N 0 0 343.471 2.297 10 10 EECERN C[C@H](NC(=O)N1CCSC[C@H]1CCO)c1ccc(N(C)C)cc1 ZINC000776248974 577455582 /nfs/dbraw/zinc/45/55/82/577455582.db2.gz LZAVZNPMJIUXDX-XJKSGUPXSA-N 0 0 337.489 2.323 10 10 EECERN CNC(=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000776286062 577456954 /nfs/dbraw/zinc/45/69/54/577456954.db2.gz ZVWUSQZVEOQLEV-UHFFFAOYSA-N 0 0 342.395 2.265 10 10 EECERN COc1ccc2c(c1)CCCCN2C[C@H](O)COC[C@H]1CCCO1 ZINC000766273079 577516311 /nfs/dbraw/zinc/51/63/11/577516311.db2.gz TYFJXAFDALFLFH-FUHWJXTLSA-N 0 0 335.444 2.394 10 10 EECERN C[C@@H]1COCC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000768302158 577553501 /nfs/dbraw/zinc/55/35/01/577553501.db2.gz JWORODAQVYNDPH-KOLCDFICSA-N 0 0 328.206 2.444 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc(CO)n(C)c1=S ZINC000769833539 577585570 /nfs/dbraw/zinc/58/55/70/577585570.db2.gz DLEYWWFXKZALLW-UHFFFAOYSA-N 0 0 349.504 2.377 10 10 EECERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(O)cc1F ZINC000758168791 577617357 /nfs/dbraw/zinc/61/73/57/577617357.db2.gz GVTWEPPANUMFKU-UHFFFAOYSA-N 0 0 343.332 2.329 10 10 EECERN C[C@H](NC(=O)COC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000758574057 577627546 /nfs/dbraw/zinc/62/75/46/577627546.db2.gz ZJAHSJABZGWQSE-JTQLQIEISA-N 0 0 333.315 2.271 10 10 EECERN COc1cc(N2CCN(C(=O)C3=CCC3)CC2)cc(OC)c1OC ZINC000759240024 577639673 /nfs/dbraw/zinc/63/96/73/577639673.db2.gz UUEHCSAYCZXIJC-UHFFFAOYSA-N 0 0 332.400 2.081 10 10 EECERN COCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000763336351 577719477 /nfs/dbraw/zinc/71/94/77/577719477.db2.gz HHOCPQLAORSTMX-UHFFFAOYSA-N 0 0 334.445 2.410 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000756596339 577847366 /nfs/dbraw/zinc/84/73/66/577847366.db2.gz ZFPWMNFWRDQVRV-ZDUSSCGKSA-N 0 0 341.407 2.359 10 10 EECERN C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756609735 577847508 /nfs/dbraw/zinc/84/75/08/577847508.db2.gz FYPGXBWJVKJBLK-CHWSQXEVSA-N 0 0 345.403 2.354 10 10 EECERN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@@H]2CCC2(F)F)c1 ZINC000866842537 674593619 /nfs/dbraw/zinc/59/36/19/674593619.db2.gz XIVQUIJIMVJOOF-UWVGGRQHSA-N 0 0 335.372 2.427 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3nncs3)CC2)cc1F ZINC000177641627 676001556 /nfs/dbraw/zinc/00/15/56/676001556.db2.gz YGWSJQQOHRIKBS-UHFFFAOYSA-N 0 0 337.380 2.040 10 10 EECERN C[C@@H]([NH2+]Cc1cnn(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000806168196 675511184 /nfs/dbraw/zinc/51/11/84/675511184.db2.gz GVWLXPRREZKLJD-SSDOTTSWSA-N 0 0 329.173 2.273 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cnn2cccnc12 ZINC000804734824 675610701 /nfs/dbraw/zinc/61/07/01/675610701.db2.gz DNISIFNNYSUHGH-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc2nonc21 ZINC000162917474 682052950 /nfs/dbraw/zinc/05/29/50/682052950.db2.gz IYYOAIKKXOUBHR-CYBMUJFWSA-N 0 0 347.396 2.189 10 10 EECERN CN(C)c1cc(C(=O)NCCc2ccc(O)c(O)c2)cc(Cl)n1 ZINC000122282503 682886265 /nfs/dbraw/zinc/88/62/65/682886265.db2.gz HVGPSDPZSKBSCW-UHFFFAOYSA-N 0 0 335.791 2.185 10 10 EECERN COC(=O)[C@H](Cc1cncs1)NCc1cc(C)cc(OC)c1O ZINC000895474258 684614140 /nfs/dbraw/zinc/61/41/40/684614140.db2.gz PCCFCVIBSRZSBO-ZDUSSCGKSA-N 0 0 336.413 2.040 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194748799 684964390 /nfs/dbraw/zinc/96/43/90/684964390.db2.gz DMCVMZHTGIQHAF-SFHVURJKSA-N 0 0 327.428 2.155 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@]12CCOC2=O ZINC000897453255 690557232 /nfs/dbraw/zinc/55/72/32/690557232.db2.gz HGVZRLVHLSKGEK-INIZCTEOSA-N 0 0 333.365 2.234 10 10 EECERN CC(C)OC[C@@H](CO)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897571611 691626898 /nfs/dbraw/zinc/62/68/98/691626898.db2.gz UWOVVVVTEAATMM-LLVKDONJSA-N 0 0 339.413 2.170 10 10 EECERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CC(C)(C)OC1=O ZINC000897832907 691796923 /nfs/dbraw/zinc/79/69/23/691796923.db2.gz PSKGNAYIDQDXDD-VIFPVBQESA-N 0 0 335.381 2.479 10 10 EECERN O=C(NC[C@H]1CN(C2CC2)C(=O)O1)c1cc2cc(O)c(O)cc2s1 ZINC000898440691 693320392 /nfs/dbraw/zinc/32/03/92/693320392.db2.gz XKGGGDCZTQQJOC-JTQLQIEISA-N 0 0 348.380 2.026 10 10 EECERN COc1ccc(N2CCN(C(=O)c3ccc4cccnn43)CC2)cc1 ZINC001266268104 1176064955 /nfs/dbraw/zinc/06/49/55/1176064955.db2.gz AAHSFXFDLOECMZ-UHFFFAOYSA-N 0 0 336.395 2.305 10 10 EECERN CC(C)(C)C(=O)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001299187089 1187258911 /nfs/dbraw/zinc/25/89/11/1187258911.db2.gz BCEOHDPYGGISSS-UHFFFAOYSA-N 0 0 345.403 2.274 10 10 EECERN COC[C@@]1(C)CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CCO1 ZINC000863830203 1197891504 /nfs/dbraw/zinc/89/15/04/1197891504.db2.gz TYPVXFXDAALSIT-LJQANCHMSA-N 0 0 343.427 2.367 10 10 EECERN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H](C)O1 ZINC000864931768 1198004819 /nfs/dbraw/zinc/00/48/19/1198004819.db2.gz OQJATCHGCMZUMT-IPYPFGDCSA-N 0 0 336.407 2.092 10 10 EECERN NC(=O)c1csc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000814361085 1199455520 /nfs/dbraw/zinc/45/55/20/1199455520.db2.gz MEMQNSJNWFZSKG-UHFFFAOYSA-N 0 0 334.470 2.407 10 10 EECERN CCOC(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2C)on1 ZINC000825874271 1199614328 /nfs/dbraw/zinc/61/43/28/1199614328.db2.gz XNPIXRZSZRXJPJ-UHFFFAOYSA-N 0 0 331.372 2.156 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NO[C@@H]1CCCCO1 ZINC000805400734 1199962057 /nfs/dbraw/zinc/96/20/57/1199962057.db2.gz CRMOKDJNJNSAFK-GFCCVEGCSA-N 0 0 345.193 2.412 10 10 EECERN CS(=O)(=O)C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871205771 1201099755 /nfs/dbraw/zinc/09/97/55/1201099755.db2.gz YCVROCQDTNHSSD-INIZCTEOSA-N 0 0 345.420 2.063 10 10 EECERN CON(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000871244550 1201120329 /nfs/dbraw/zinc/12/03/29/1201120329.db2.gz FAFLUYYEGVUIDE-DJYGCBNOSA-N 0 0 337.372 2.231 10 10 EECERN COc1ccc(O)c([C@@H](C)NCc2nnc(C3CCOCC3)[nH]2)c1 ZINC000866441723 1201518838 /nfs/dbraw/zinc/51/88/38/1201518838.db2.gz SEDMBHIYQAPPAW-LLVKDONJSA-N 0 0 332.404 2.264 10 10 EECERN CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cccc(Cl)c1[O-] ZINC000866572848 1201551132 /nfs/dbraw/zinc/55/11/32/1201551132.db2.gz RHOHHVXRHITIBP-GFCCVEGCSA-N 0 0 334.869 2.401 10 10 EECERN CO[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(=O)OC(C)(C)C ZINC000866771571 1201602364 /nfs/dbraw/zinc/60/23/64/1201602364.db2.gz VMFILIAOGQPFGP-MRXNPFEDSA-N 0 0 349.427 2.244 10 10 EECERN COc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC000867688256 1201659778 /nfs/dbraw/zinc/65/97/78/1201659778.db2.gz AETVNCINKGFVHW-UHFFFAOYSA-N 0 0 335.381 2.114 10 10 EECERN COCCc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000867688253 1201659782 /nfs/dbraw/zinc/65/97/82/1201659782.db2.gz ABYNLLSGUYWVNU-UHFFFAOYSA-N 0 0 333.409 2.286 10 10 EECERN CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690209 1201660188 /nfs/dbraw/zinc/66/01/88/1201660188.db2.gz CVNHIZHHIQDCBH-INIZCTEOSA-N 0 0 347.436 2.295 10 10 EECERN COC(=O)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000924673202 1206015250 /nfs/dbraw/zinc/01/52/50/1206015250.db2.gz WNYGOEBOQOIEKW-RCQQVGEISA-N 0 0 333.384 2.349 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@]2(OC)CCSC2)c1 ZINC000925364797 1206103156 /nfs/dbraw/zinc/10/31/56/1206103156.db2.gz WBUSOMAWYKOTQQ-BDJLRTHQSA-N 0 0 340.445 2.283 10 10 EECERN COc1nnc(CN2CCN(c3ccc(OC)c(F)c3)CC2)s1 ZINC000929820937 1206505663 /nfs/dbraw/zinc/50/56/63/1206505663.db2.gz IAKJQYXOBJGXTP-UHFFFAOYSA-N 0 0 338.408 2.017 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(C2CC2)C1=O ZINC000930206598 1206541134 /nfs/dbraw/zinc/54/11/34/1206541134.db2.gz ZVQBUDLVAGSWNR-SFHVURJKSA-N 0 0 341.455 2.304 10 10 EECERN CN(C)c1ncc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000155201315 1208320152 /nfs/dbraw/zinc/32/01/52/1208320152.db2.gz DMIMRXDWBMEUCB-UHFFFAOYSA-N 0 0 338.415 2.241 10 10 EECERN CCC1(CC)CN(Cc2cc3c(cc2O)OCO3)CC[S@@]1=O ZINC000187554436 1208443110 /nfs/dbraw/zinc/44/31/10/1208443110.db2.gz TWQYODOBFGKBJU-QFIPXVFZSA-N 0 0 325.430 2.244 10 10 EECERN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1S(C)(=O)=O ZINC000779541131 1210459884 /nfs/dbraw/zinc/45/98/84/1210459884.db2.gz FGBNEDKEDBGIEV-YVMONPNESA-N 0 0 347.392 2.462 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCOCC1CCC1 ZINC000827159816 1250280761 /nfs/dbraw/zinc/28/07/61/1250280761.db2.gz IMMMTISUHZLPEY-UHFFFAOYSA-N 0 0 340.489 2.297 10 10 EECERN C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850495434 1277248182 /nfs/dbraw/zinc/24/81/82/1277248182.db2.gz DIEVTVUPAKKRFY-CWMRNNLJSA-N 0 0 340.323 2.262 10 10 EECERN COC[C@@H](CCNC(=O)NCc1c(O)ccc2c1CCCC2)OC ZINC000852449506 1292116788 /nfs/dbraw/zinc/11/67/88/1292116788.db2.gz UUCSAYTUGLQJBH-CQSZACIVSA-N 0 0 336.432 2.122 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3cc(C)on3)C2)cc1 ZINC000852454930 1292118934 /nfs/dbraw/zinc/11/89/34/1292118934.db2.gz QTECPELKTXPCBR-CQSZACIVSA-N 0 0 344.415 2.412 10 10 EECERN CC(=O)C(=O)COC(=O)C1=Cc2ccccc2O[C@H]1C(F)(F)F ZINC000853928741 1292534168 /nfs/dbraw/zinc/53/41/68/1292534168.db2.gz MKDFLWFTGGVRNK-CYBMUJFWSA-N 0 0 328.242 2.095 10 10 EECERN Cc1cc(CC(=O)N2CCC(C(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000854170665 1292658116 /nfs/dbraw/zinc/65/81/16/1292658116.db2.gz WZICOZVSAPHPSN-UHFFFAOYSA-N 0 0 339.439 2.361 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCOCC4(CC4)C3)C2)cc1 ZINC000854299822 1292711381 /nfs/dbraw/zinc/71/13/81/1292711381.db2.gz RVKIXTMZCVAMHA-OAHLLOKOSA-N 0 0 345.443 2.096 10 10 EECERN CCC[C@@H](O)[C@@H](CO)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854943378 1292997610 /nfs/dbraw/zinc/99/76/10/1292997610.db2.gz IZBDNVHCUNWHDZ-RTBURBONSA-N 0 0 344.455 2.275 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(Cl)cnn3C)C2)cc1 ZINC000855226233 1293119016 /nfs/dbraw/zinc/11/90/16/1293119016.db2.gz OKMLBBNQMJWOGY-LLVKDONJSA-N 0 0 334.807 2.091 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(N(C)C)ccn3)C2)cc1 ZINC000855228983 1293120950 /nfs/dbraw/zinc/12/09/50/1293120950.db2.gz GVFJPNPHHTVEGT-AWEZNQCLSA-N 0 0 340.427 2.165 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)/C=C\C3CCOCC3)C2)cc1 ZINC000855231647 1293122335 /nfs/dbraw/zinc/12/23/35/1293122335.db2.gz NDXXAFQLDNVKEA-AKDFZNLCSA-N 0 0 330.428 2.373 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C4CC4)n(C)n3)C2)cc1 ZINC000855232661 1293122342 /nfs/dbraw/zinc/12/23/42/1293122342.db2.gz WLOMJYRZBCKOKX-AWEZNQCLSA-N 0 0 340.427 2.315 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ncc(C)s3)C2)cc1 ZINC000855234263 1293123358 /nfs/dbraw/zinc/12/33/58/1293123358.db2.gz WCEYMSRMEPNJKG-CYBMUJFWSA-N 0 0 331.441 2.398 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000856211467 1293446557 /nfs/dbraw/zinc/44/65/57/1293446557.db2.gz REJYWGRVZAVNKT-OAHLLOKOSA-N 0 0 339.439 2.463 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000856355714 1293494650 /nfs/dbraw/zinc/49/46/50/1293494650.db2.gz LKBLDORYBZKSNZ-FWEMWIAWSA-N 0 0 331.290 2.291 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)c1 ZINC000862755106 1295951938 /nfs/dbraw/zinc/95/19/38/1295951938.db2.gz DAVUFPKRBFWGJC-CYBMUJFWSA-N 0 0 326.400 2.048 10 10 EECERN C[C@H](NC(=O)Nc1nccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000797641865 1304794774 /nfs/dbraw/zinc/79/47/74/1304794774.db2.gz WCFGWENVVKRTOA-LBPRGKRZSA-N 0 0 328.420 2.491 10 10 EECERN O=C([O-])[C@@]1(C[NH2+]Cc2c(O)cccc2Br)CCCOC1 ZINC001118917832 1308959003 /nfs/dbraw/zinc/95/90/03/1308959003.db2.gz CXNPIJYJIODEBF-CQSZACIVSA-N 0 0 344.205 2.126 10 10 EECERN CSc1nc(C)c(CCC(=O)NCc2cccc(O)c2O)c(C)n1 ZINC001123888369 1310751012 /nfs/dbraw/zinc/75/10/12/1310751012.db2.gz HZBJIUXYMXRELZ-UHFFFAOYSA-N 0 0 347.440 2.476 10 10 EECERN CC(C)N(CC(=O)N1CCCCCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001140301374 1314858693 /nfs/dbraw/zinc/85/86/93/1314858693.db2.gz XOSYNJHCVMVNPL-UHFFFAOYSA-N 0 0 348.443 2.280 10 10 EECERN Cc1cc(C(=O)CN2CCO[C@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1 ZINC000839671213 1315229104 /nfs/dbraw/zinc/22/91/04/1315229104.db2.gz KKNQLMYFTOQVHG-UZLBHIALSA-N 0 0 342.439 2.358 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H](O)c1ccccn1 ZINC001141722408 1315258766 /nfs/dbraw/zinc/25/87/66/1315258766.db2.gz AGFMMLHIIRABPV-QGZVFWFLSA-N 0 0 345.362 2.463 10 10 EECERN COc1ccc(CNC(=O)NCc2c(C)nc3ccccn32)c(O)c1 ZINC001251513168 1317465530 /nfs/dbraw/zinc/46/55/30/1317465530.db2.gz FLESWIHDGLRAME-UHFFFAOYSA-N 0 0 340.383 2.356 10 10 EECERN CC[C@H](C)C(=O)NC[C@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285835406 1327173495 /nfs/dbraw/zinc/17/34/95/1327173495.db2.gz WVXOJJYXPOJLKB-SMDDNHRTSA-N 0 0 345.403 2.226 10 10 EECERN C/C=C(\C)C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295457925 1329812974 /nfs/dbraw/zinc/81/29/74/1329812974.db2.gz KSRILZCXBFQEHK-JAIATQHYSA-N 0 0 331.376 2.050 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001303223152 1331350765 /nfs/dbraw/zinc/35/07/65/1331350765.db2.gz CHFMKBSWAMXUFB-MRXNPFEDSA-N 0 0 348.305 2.185 10 10 EECERN O=C(CCc1nnc(C2CCCC2)o1)NCc1c(O)cccc1O ZINC001304053970 1331375370 /nfs/dbraw/zinc/37/53/70/1331375370.db2.gz YDIJKMHVCXKLAR-UHFFFAOYSA-N 0 0 331.372 2.387 10 10 EECERN C[C@@H]([NH2+]CCOCCCO)c1cc(Br)cc(F)c1[O-] ZINC001325887941 1333986134 /nfs/dbraw/zinc/98/61/34/1333986134.db2.gz OROHDIUFEWXIQC-SECBINFHSA-N 0 0 336.201 2.343 10 10 EECERN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H](C)C1O ZINC001328553855 1334478618 /nfs/dbraw/zinc/47/86/18/1334478618.db2.gz VWGPYYABUAUWIS-ZIAGYGMSSA-N 0 0 331.460 2.227 10 10 EECERN COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])cc1C ZINC001329016872 1334569141 /nfs/dbraw/zinc/56/91/41/1334569141.db2.gz USMYEGIFLVJBGP-VXGBXAGGSA-N 0 0 346.431 2.037 10 10 EECERN C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1c1ccccc1 ZINC001329476511 1334658611 /nfs/dbraw/zinc/65/86/11/1334658611.db2.gz BMTUTGIAEPVZON-SCLBCKFNSA-N 0 0 336.391 2.454 10 10 EECERN O=C([O-])[C@@H](C[C@H]1CCOC1)[NH2+]Cc1c(O)cccc1Br ZINC001329683501 1334696201 /nfs/dbraw/zinc/69/62/01/1334696201.db2.gz WVNFUTAYZMCOGO-BXKDBHETSA-N 0 0 344.205 2.124 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C(C)(C)C ZINC001337825795 1336741295 /nfs/dbraw/zinc/74/12/95/1336741295.db2.gz DBIMRGYYSSYATB-YXVBKTCISA-N 0 0 335.400 2.291 10 10 EECERN O=C(Nc1ccc[n+]([O-])c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001350210132 1337681605 /nfs/dbraw/zinc/68/16/05/1337681605.db2.gz MTFOIZNTDMNYNJ-INIZCTEOSA-N 0 0 343.383 2.239 10 10 EECERN COCC[C@@H](CO)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000847174491 1337890240 /nfs/dbraw/zinc/89/02/40/1337890240.db2.gz UKKZVAUINDHFHH-KRWDZBQOSA-N 0 0 330.428 2.150 10 10 EECERN Cn1ncc([N+](=O)[O-])c1NCc1cccc(Br)c1O ZINC001612343001 1352307608 /nfs/dbraw/zinc/30/76/08/1352307608.db2.gz MXKSCTCJBZWXMY-UHFFFAOYSA-N 0 0 327.138 2.409 10 10 EECERN Cn1c(CO)nc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc21 ZINC001557387860 1342447952 /nfs/dbraw/zinc/44/79/52/1342447952.db2.gz YMOGMKIMFCRGRZ-UHFFFAOYSA-N 0 0 345.786 2.355 10 10 EECERN C[C@@H](NC(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccccc1O ZINC001557966725 1342461449 /nfs/dbraw/zinc/46/14/49/1342461449.db2.gz OHRWBTQGQMYRSQ-SNVBAGLBSA-N 0 0 337.372 2.426 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1 ZINC001586624292 1348853265 /nfs/dbraw/zinc/85/32/65/1348853265.db2.gz SQEHCBADBATZIT-UHFFFAOYSA-N 0 0 349.354 2.360 10 10 EECERN Cc1cc(C(=O)NCc2cc(O)ccc2O)c(C)n1-c1cnn(C)c1 ZINC001593880987 1349873241 /nfs/dbraw/zinc/87/32/41/1349873241.db2.gz BDLZSWVCFRHJBF-UHFFFAOYSA-N 0 0 340.383 2.169 10 10 EECERN COc1cccc(CNC(=O)c2ccc(N(C)C)c(C=O)c2)c1O ZINC001595799897 1349895517 /nfs/dbraw/zinc/89/55/17/1349895517.db2.gz IPINCIQXJLPMHG-UHFFFAOYSA-N 0 0 328.368 2.209 10 10 EECERN Cc1[nH]c(C=O)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001597907963 1349933055 /nfs/dbraw/zinc/93/30/55/1349933055.db2.gz JYTBDHUHCAZEOD-ZDUSSCGKSA-N 0 0 341.411 2.463 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C(=O)OCC)CCC1 ZINC001623573856 1352400238 /nfs/dbraw/zinc/40/02/38/1352400238.db2.gz GQRBWQWMBDHSOA-UHFFFAOYSA-N 0 0 326.389 2.228 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001624953917 1352435867 /nfs/dbraw/zinc/43/58/67/1352435867.db2.gz BSUAMWOVGSBMRS-JTQLQIEISA-N 0 0 348.330 2.435 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2nncn2-c2ccccc2)cc1 ZINC001625432497 1352448888 /nfs/dbraw/zinc/44/88/88/1352448888.db2.gz AHZFMGUUJSFEPG-UHFFFAOYSA-N 0 0 349.354 2.360 10 10 EECERN CNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001638272747 1352686674 /nfs/dbraw/zinc/68/66/74/1352686674.db2.gz BRKQOCDVQVYUAM-ZDUSSCGKSA-N 0 0 347.375 2.200 10 10 EECERN Cc1cc(C)c(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(=O)[nH]1 ZINC001638347505 1352687739 /nfs/dbraw/zinc/68/77/39/1352687739.db2.gz HLKGSTBZCVQCRE-LBPRGKRZSA-N 0 0 330.384 2.105 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1ccc(-n2ccnn2)cc1 ZINC001638573043 1352689766 /nfs/dbraw/zinc/68/97/66/1352689766.db2.gz GXGSGZYVLXMQJY-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN COC(=O)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001643050032 1352739960 /nfs/dbraw/zinc/73/99/60/1352739960.db2.gz WONPXFMTIGSYHR-UHFFFAOYSA-N 0 0 333.315 2.134 10 10 EECERN O=C(CCn1sc2ccccc2c1=O)NCc1cc(O)ccc1O ZINC001651225595 1354044941 /nfs/dbraw/zinc/04/49/41/1354044941.db2.gz PXBWTYYFJHUYLL-UHFFFAOYSA-N 0 0 344.392 2.181 10 10 EECERN COc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n(C)n1 ZINC001652301996 1354086770 /nfs/dbraw/zinc/08/67/70/1354086770.db2.gz SLPOVHACFDFZIH-UHFFFAOYSA-N 0 0 325.372 2.484 10 10 EECERN CS(=O)(=O)c1cccc(CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC001682535019 1358163182 /nfs/dbraw/zinc/16/31/82/1358163182.db2.gz BSKMZSZKFYVSFY-UHFFFAOYSA-N 0 0 346.408 2.021 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1CCN(c2ncccc2F)C1 ZINC000921405725 773338906 /nfs/dbraw/zinc/33/89/06/773338906.db2.gz WZCGYTUCCJOJQJ-NSHDSACASA-N 0 0 348.353 2.144 10 10 EECERN COCCc1ccc(S(=O)(=O)NCc2c(O)cccc2F)cc1 ZINC000921452700 773383484 /nfs/dbraw/zinc/38/34/84/773383484.db2.gz WWFMHBSROPWUAP-UHFFFAOYSA-N 0 0 339.388 2.199 10 10 EECERN CN1CCCc2cc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)ccc21 ZINC000069678629 777398811 /nfs/dbraw/zinc/39/88/11/777398811.db2.gz NXDLNZFJQBWKTO-UHFFFAOYSA-N 0 0 348.406 2.236 10 10 EECERN Cc1c(CC(=O)NCc2cc(Br)ccc2O)cnn1C ZINC000816653627 784169632 /nfs/dbraw/zinc/16/96/32/784169632.db2.gz BIZHOUWMNTVRJB-UHFFFAOYSA-N 0 0 338.205 2.056 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc(CO)c1 ZINC001135800639 784465443 /nfs/dbraw/zinc/46/54/43/784465443.db2.gz KGTRORDIWWWAKL-UHFFFAOYSA-N 0 0 325.412 2.446 10 10 EECERN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818360647 785256697 /nfs/dbraw/zinc/25/66/97/785256697.db2.gz BFRLOSMYKKFICK-XVKPBYJWSA-N 0 0 331.199 2.497 10 10 EECERN CO[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000819973701 785725650 /nfs/dbraw/zinc/72/56/50/785725650.db2.gz BBHZDVJBOHNZAB-AEFFLSMTSA-N 0 0 332.444 2.297 10 10 EECERN O=C(NCCOC1CCOCC1)NCc1cc(Cl)ccc1O ZINC000927502730 785996755 /nfs/dbraw/zinc/99/67/55/785996755.db2.gz OYSITZNSPFXOCC-UHFFFAOYSA-N 0 0 328.796 2.040 10 10 EECERN Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)nn2c1OCCC2 ZINC000822863199 787442720 /nfs/dbraw/zinc/44/27/20/787442720.db2.gz MZFQIHCTVXMALC-UHFFFAOYSA-N 0 0 332.379 2.109 10 10 EECERN CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC000824890193 788354394 /nfs/dbraw/zinc/35/43/94/788354394.db2.gz YJMYFHRKJFBDIH-UHFFFAOYSA-N 0 0 333.819 2.489 10 10 EECERN COc1cc(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)nn1C ZINC000844630885 789266333 /nfs/dbraw/zinc/26/63/33/789266333.db2.gz CNHUDVMNJXNJJU-UHFFFAOYSA-N 0 0 347.419 2.037 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2nnn(C(C)C)c2C)cc1 ZINC000844856416 789403188 /nfs/dbraw/zinc/40/31/88/789403188.db2.gz KBLGBXDYSIXJCA-UHFFFAOYSA-N 0 0 345.447 2.384 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)NCC[C@]2(O)CCOC2)cc1 ZINC000845447192 789781353 /nfs/dbraw/zinc/78/13/53/789781353.db2.gz ASNFLZROSJSZCT-IBGZPJMESA-N 0 0 349.475 2.216 10 10 EECERN CCOC(=O)C1(C(=O)NCc2cc(Cl)ccc2O)CCOCC1 ZINC000846475273 790193606 /nfs/dbraw/zinc/19/36/06/790193606.db2.gz BLCFJFMCNQTIMV-UHFFFAOYSA-N 0 0 341.791 2.022 10 10 EECERN COc1cccc(CNC(=O)NCc2ccc(CO)c(F)c2)c1O ZINC000174519337 792129358 /nfs/dbraw/zinc/12/93/58/792129358.db2.gz UXTCPKMRWZPOMX-UHFFFAOYSA-N 0 0 334.347 2.032 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnc(N(C)C)nc1 ZINC000154550516 798390335 /nfs/dbraw/zinc/39/03/35/798390335.db2.gz KYDXTSPGKXCIMU-UHFFFAOYSA-N 0 0 328.420 2.239 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001176748559 798547327 /nfs/dbraw/zinc/54/73/27/798547327.db2.gz WRJFWJLFABPNOY-HOTGVXAUSA-N 0 0 346.427 2.143 10 10 EECERN COC(=O)c1cnc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000922832495 801996377 /nfs/dbraw/zinc/99/63/77/801996377.db2.gz QAFKDWKWSSQHIV-UHFFFAOYSA-N 0 0 328.340 2.246 10 10 EECERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000804370671 810820513 /nfs/dbraw/zinc/82/05/13/810820513.db2.gz SVBQPTDXFAHZDY-IXYVGOANSA-N 0 0 331.290 2.289 10 10 EECERN C[C@@H](NC(=O)C1CN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000807273973 812168219 /nfs/dbraw/zinc/16/82/19/812168219.db2.gz DICRSQMHULSMIA-LLVKDONJSA-N 0 0 329.366 2.424 10 10 EECERN CC(=O)C(=O)COC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000808511894 812682562 /nfs/dbraw/zinc/68/25/62/812682562.db2.gz CYVTXHMCLRZBMP-UHFFFAOYSA-N 0 0 342.307 2.117 10 10 EECERN O=C(COC(=O)c1cccc2ccc(=O)[nH]c21)c1ccc(O)c(O)c1 ZINC000808633490 812776200 /nfs/dbraw/zinc/77/62/00/812776200.db2.gz ATCHAHPSGDMMQF-UHFFFAOYSA-N 0 0 339.303 2.391 10 10 EECERN CCS(=O)(=O)Nc1cccc(C(=O)NCc2cc(C)ccc2O)c1 ZINC001453648353 1106361774 /nfs/dbraw/zinc/36/17/74/1106361774.db2.gz GMNHNGZPFBJPLU-UHFFFAOYSA-N 0 0 348.424 2.392 10 10 EECERN C[C@@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)c1ccccc1O ZINC001454804093 1107686470 /nfs/dbraw/zinc/68/64/70/1107686470.db2.gz HRFFYBCTBIOLHV-HNJNHCNJSA-N 0 0 339.395 2.184 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC[C@H](Cn3ccnn3)C2)cc1OC ZINC001458269379 1109851429 /nfs/dbraw/zinc/85/14/29/1109851429.db2.gz PGMAHQSQLDLBJB-LBPRGKRZSA-N 0 0 347.375 2.120 10 10 EECERN COc1cccc(CNC(=O)c2cc(=O)c3ccccc3n2C)c1O ZINC001465991723 1110427751 /nfs/dbraw/zinc/42/77/51/1110427751.db2.gz FDPKFGLHNRUWKQ-UHFFFAOYSA-N 0 0 338.363 2.183 10 10 EECERN CC1([C@H]2CCCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)OCCO1 ZINC001466321165 1110433330 /nfs/dbraw/zinc/43/33/30/1110433330.db2.gz KDCWDVQJNPJWKP-ZDUSSCGKSA-N 0 0 346.387 2.464 10 10 EECERN Cc1cncc(N(Cc2ncc[nH]2)C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001470107836 1110501397 /nfs/dbraw/zinc/50/13/97/1110501397.db2.gz MNGJQMLUAZHJNC-UHFFFAOYSA-N 0 0 338.367 2.300 10 10 EECERN Cc1cc(CNC(=O)c2cccn3nnnc23)c(C)n1-c1ccccc1 ZINC001471018053 1110516040 /nfs/dbraw/zinc/51/60/40/1110516040.db2.gz OZFJAKNKFOGTJI-UHFFFAOYSA-N 0 0 346.394 2.462 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NOC[C@@H]1CCOC1 ZINC001478443377 1110654605 /nfs/dbraw/zinc/65/46/05/1110654605.db2.gz VOHQKGONDZNZFN-MRXNPFEDSA-N 0 0 333.432 2.396 10 10 EECERN CCOCc1nc([C@@H](C)NC(=O)N2Cc3cccc(O)c3C2)no1 ZINC001478747524 1110657059 /nfs/dbraw/zinc/65/70/59/1110657059.db2.gz VQQINGWRWIESCJ-SNVBAGLBSA-N 0 0 332.360 2.098 10 10 EECERN CCC1(C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001522715644 1119474274 /nfs/dbraw/zinc/47/42/74/1119474274.db2.gz JFIZAUGMTVHLDA-UHFFFAOYSA-N 0 0 345.403 2.275 10 10 EECERN C/C=C(/C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001525391786 1120311488 /nfs/dbraw/zinc/31/14/88/1120311488.db2.gz HIIGBXKTLPOWDE-GPQZHDQBSA-N 0 0 343.387 2.192 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3nccnc3C)C2)cc1 ZINC001526966099 1120630434 /nfs/dbraw/zinc/63/04/34/1120630434.db2.gz YJCDFRLMGCXDQK-ZDUSSCGKSA-N 0 0 327.388 2.194 10 10 EECERN CN(CCNC(=O)C=C1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001528032640 1120934321 /nfs/dbraw/zinc/93/43/21/1120934321.db2.gz SGJSIZQBRZUKQV-UHFFFAOYSA-N 0 0 343.387 2.148 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nnn(C(C)(C)C)n1 ZINC001531693865 1122509556 /nfs/dbraw/zinc/50/95/56/1122509556.db2.gz MAUXWVIEIYIZSZ-UHFFFAOYSA-N 0 0 342.447 2.301 10 10 EECERN CC(C)C[C@@H](C(N)=O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001540567493 1124086728 /nfs/dbraw/zinc/08/67/28/1124086728.db2.gz OBGJZNCGGJGQHE-KRWDZBQOSA-N 0 0 331.460 2.393 10 10 EECERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)c2ccccc2N(C)C1=O ZINC001545088591 1124178839 /nfs/dbraw/zinc/17/88/39/1124178839.db2.gz NEPCDWTWJDBPJH-LBPRGKRZSA-N 0 0 340.379 2.286 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cnc([C@@H](C)O)s3)CC2)cc1 ZINC001545556671 1124195266 /nfs/dbraw/zinc/19/52/66/1124195266.db2.gz UNXXBBMPXOPLFA-GFCCVEGCSA-N 0 0 347.440 2.167 10 10 EECERN C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000361450378 238222596 /nfs/dbraw/zinc/22/25/96/238222596.db2.gz BFUJWUIANGTDAZ-GGZOMVNGSA-N 0 0 339.779 2.053 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@H](c4ccco4)C3)cc2N1 ZINC000131304488 462804182 /nfs/dbraw/zinc/80/41/82/462804182.db2.gz SIEQEYOCXHOHSV-OAHLLOKOSA-N 0 0 345.311 2.097 10 10 EECERN CCn1ccnc1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000298537684 465424821 /nfs/dbraw/zinc/42/48/21/465424821.db2.gz VXFUAFQRZSIFCN-UHFFFAOYSA-N 0 0 327.432 2.285 10 10 EECERN C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000287479638 463904513 /nfs/dbraw/zinc/90/45/13/463904513.db2.gz SENOQQKIIDUTNG-CQSZACIVSA-N 0 0 331.460 2.406 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000290973147 464139954 /nfs/dbraw/zinc/13/99/54/464139954.db2.gz PAIDCHKJBGWGBJ-AWEZNQCLSA-N 0 0 329.366 2.396 10 10 EECERN Oc1ccc(F)cc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000180098943 464241227 /nfs/dbraw/zinc/24/12/27/464241227.db2.gz OJCACXUUCJVJKA-LJQANCHMSA-N 0 0 330.403 2.383 10 10 EECERN COC(=O)CCCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000266462967 464774168 /nfs/dbraw/zinc/77/41/68/464774168.db2.gz ANFARQKRJMTSCL-UHFFFAOYSA-N 0 0 334.416 2.414 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2nnn(C)c2c1 ZINC000184330869 464966007 /nfs/dbraw/zinc/96/60/07/464966007.db2.gz VAZOGQWJDCDKAW-UHFFFAOYSA-N 0 0 337.383 2.074 10 10 EECERN O=C1COC[C@@H](C[C@H]2CN(Cc3ccccc3O)c3ccccc32)N1 ZINC000368142910 466583728 /nfs/dbraw/zinc/58/37/28/466583728.db2.gz NOSLYTINTKGWSD-JKSUJKDBSA-N 0 0 338.407 2.401 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@]1(C)Br ZINC000528994755 467790822 /nfs/dbraw/zinc/79/08/22/467790822.db2.gz CFRODOAOUXKMEW-PJCOJXEDSA-N 0 0 328.206 2.319 10 10 EECERN Cn1ccc([C@@H]2NC(=O)N(c3cc(Cl)c(N)c(Cl)c3)C2=O)n1 ZINC000772126114 577253052 /nfs/dbraw/zinc/25/30/52/577253052.db2.gz ROHVIEHBNUGQOK-NSHDSACASA-N 0 0 340.170 2.107 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000773744445 577362383 /nfs/dbraw/zinc/36/23/83/577362383.db2.gz RSTFXLCTKIIDEI-STQMWFEESA-N 0 0 345.395 2.105 10 10 EECERN COC(=O)c1cncc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000776479196 577460528 /nfs/dbraw/zinc/46/05/28/577460528.db2.gz JQXMUPLYBZQKHY-SNVBAGLBSA-N 0 0 345.355 2.465 10 10 EECERN CCOC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000777469760 577479381 /nfs/dbraw/zinc/47/93/81/577479381.db2.gz MIDJUBWTDZPXQQ-GJZGRUSLSA-N 0 0 335.448 2.308 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC(c3nc(C)no3)C2)c([N+](=O)[O-])c1 ZINC000764921915 577490975 /nfs/dbraw/zinc/49/09/75/577490975.db2.gz HAWIJWYPPGGXLG-XQRVVYSFSA-N 0 0 344.327 2.076 10 10 EECERN C[C@@H](CCNC(=O)NCc1ccc(N2CCCC2)cc1)[S@@](C)=O ZINC000765679286 577504993 /nfs/dbraw/zinc/50/49/93/577504993.db2.gz QRJPTZSUROJUKW-LFVRLGFBSA-N 0 0 337.489 2.243 10 10 EECERN COc1ccc(N2CCCN(CCCCS(C)(=O)=O)CC2)cc1 ZINC000759692471 577647956 /nfs/dbraw/zinc/64/79/56/577647956.db2.gz CLAHGOAFOOYISZ-UHFFFAOYSA-N 0 0 340.489 2.032 10 10 EECERN Cc1nc(N(C)C)nc(N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000762180328 577696660 /nfs/dbraw/zinc/69/66/60/577696660.db2.gz URYRKSVFFFTPGC-OAHLLOKOSA-N 0 0 343.431 2.137 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCOCC1CC1 ZINC000751310868 577750575 /nfs/dbraw/zinc/75/05/75/577750575.db2.gz ACAGVWKMCMCOTP-UHFFFAOYSA-N 0 0 332.444 2.298 10 10 EECERN Cc1nc2ccc(/C=C3/SC(=S)N(CC(N)=O)C3=O)cc2s1 ZINC000754830616 577814380 /nfs/dbraw/zinc/81/43/80/577814380.db2.gz CJMWWGYUFOZJMJ-VZUCSPMQSA-N 0 0 349.462 2.291 10 10 EECERN CCOCc1cc(C[NH2+]C2(c3nnn[n-]3)CCCC2)ccc1OC ZINC000735408721 578152607 /nfs/dbraw/zinc/15/26/07/578152607.db2.gz WIXIOITWFDKIIT-UHFFFAOYSA-N 0 0 331.420 2.304 10 10 EECERN CCCN1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 ZINC000120553510 675224638 /nfs/dbraw/zinc/22/46/38/675224638.db2.gz VAFPTZFJDCGBQM-UHFFFAOYSA-N 0 0 326.400 2.418 10 10 EECERN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000894889637 683332633 /nfs/dbraw/zinc/33/26/33/683332633.db2.gz TXAXZKGWWXFTLM-LBPRGKRZSA-N 0 0 340.139 2.496 10 10 EECERN COCCCN(CCOC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895811305 684733447 /nfs/dbraw/zinc/73/34/47/684733447.db2.gz VOVRIRAXPCGNIG-UHFFFAOYSA-N 0 0 339.413 2.438 10 10 EECERN CC1(C)CO[C@H](CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000898983889 693557673 /nfs/dbraw/zinc/55/76/73/693557673.db2.gz ZTGYUFMGZFJPIK-GOSISDBHSA-N 0 0 346.471 2.469 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC001625794956 1176104478 /nfs/dbraw/zinc/10/44/78/1176104478.db2.gz ZOGXOIXCZSMDGB-KBRIMQKVSA-N 0 0 348.443 2.068 10 10 EECERN CC/C=C(\F)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000864953986 1198015675 /nfs/dbraw/zinc/01/56/75/1198015675.db2.gz MAKPOFDFBXVKFM-PCLKESSZSA-N 0 0 333.407 2.268 10 10 EECERN CCOC(=O)c1c(C)onc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000811156520 1199908446 /nfs/dbraw/zinc/90/84/46/1199908446.db2.gz MLZZYDPBRIWHHL-FNORWQNLSA-N 0 0 347.323 2.328 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3nn(C)cc3C)C2)cc1 ZINC000826024063 1200282073 /nfs/dbraw/zinc/28/20/73/1200282073.db2.gz POCCLOCHKXICJN-CYBMUJFWSA-N 0 0 329.404 2.138 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000811951393 1200423043 /nfs/dbraw/zinc/42/30/43/1200423043.db2.gz DTBHSVOKOGAQGC-GHMZBOCLSA-N 0 0 330.388 2.042 10 10 EECERN O=C(c1ccnc(O[C@H]2CCOC2)c1)N1Cc2cccc(O)c2C1 ZINC000871204890 1201099195 /nfs/dbraw/zinc/09/91/95/1201099195.db2.gz RWAMEOXCKPYVMK-AWEZNQCLSA-N 0 0 326.352 2.111 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000866530665 1201542305 /nfs/dbraw/zinc/54/23/05/1201542305.db2.gz BCKJFXPHRPHKEA-UKRRQHHQSA-N 0 0 349.427 2.415 10 10 EECERN CCOC(=O)C1(CC(=O)N(C)Cc2ccccc2O)CCOCC1 ZINC000866597475 1201557628 /nfs/dbraw/zinc/55/76/28/1201557628.db2.gz TXNWHHLUCXSGTP-UHFFFAOYSA-N 0 0 335.400 2.101 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(CC(C)C)CCNC2=O)c1 ZINC000866764458 1201600440 /nfs/dbraw/zinc/60/04/40/1201600440.db2.gz MRAMZEVWDURNNH-KZULUSFZSA-N 0 0 334.416 2.130 10 10 EECERN CO[C@@H](C(=O)NCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000869147775 1201950160 /nfs/dbraw/zinc/95/01/60/1201950160.db2.gz WMYJOWGMHYYMGK-LBPRGKRZSA-N 0 0 329.780 2.019 10 10 EECERN CN1C(=O)C(=Cc2ccccc2OCC(F)(F)F)C(=O)N(C)C1=O ZINC000132410033 1202102648 /nfs/dbraw/zinc/10/26/48/1202102648.db2.gz AZFWIGZGMXIEFQ-UHFFFAOYSA-N 0 0 342.273 2.062 10 10 EECERN C[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925791615 1206154339 /nfs/dbraw/zinc/15/43/39/1206154339.db2.gz MCWUROMFIKRGJO-QWHCGFSZSA-N 0 0 335.404 2.110 10 10 EECERN Oc1ccccc1C[N@@H+](C[C@H]1CCC2(COC2)O1)C[C@@H]1CCCO1 ZINC000929973192 1206523735 /nfs/dbraw/zinc/52/37/35/1206523735.db2.gz XYRSXFJVHSVSJK-DLBZAZTESA-N 0 0 333.428 2.321 10 10 EECERN CC[C@@H](C)NC(=O)CN(CC(=O)N[C@H](C)CC)c1ccc(OC)cc1 ZINC000047549783 1208417006 /nfs/dbraw/zinc/41/70/06/1208417006.db2.gz DQZMNNYKVCIRGU-HUUCEWRRSA-N 0 0 349.475 2.331 10 10 EECERN CNC(=O)CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800570730 1234320263 /nfs/dbraw/zinc/32/02/63/1234320263.db2.gz CGPRUFSNUUKEDI-LBPRGKRZSA-N 0 0 337.851 2.329 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000800653165 1234405655 /nfs/dbraw/zinc/40/56/55/1234405655.db2.gz OTOOQSFFVWVOAI-ZDUSSCGKSA-N 0 0 331.441 2.458 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000801143102 1235129770 /nfs/dbraw/zinc/12/97/70/1235129770.db2.gz UJDITVDQJUEPDP-OKILXGFUSA-N 0 0 332.425 2.395 10 10 EECERN CN1CCc2cc(NCc3cc4c(cc3O)OCO4)ccc2C1=O ZINC000827045652 1249652045 /nfs/dbraw/zinc/65/20/45/1249652045.db2.gz VHPIWLGNMNVKSR-UHFFFAOYSA-N 0 0 326.352 2.361 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@H](c2ncccn2)C2CC2)cc1 ZINC000902935608 1239126317 /nfs/dbraw/zinc/12/63/17/1239126317.db2.gz YBMFBSVJJHCAJU-INIZCTEOSA-N 0 0 325.416 2.493 10 10 EECERN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000827164893 1250320644 /nfs/dbraw/zinc/32/06/44/1250320644.db2.gz RUTRXYFAFSUBBG-JOYOIKCWSA-N 0 0 333.837 2.110 10 10 EECERN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC2(CCC2)O1 ZINC000826790499 1248069287 /nfs/dbraw/zinc/06/92/87/1248069287.db2.gz AEYYLMNZTKEUNS-JTQLQIEISA-N 0 0 333.344 2.074 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H](OC)[C@@H]2CCOC2)cc1F ZINC000826940526 1248167975 /nfs/dbraw/zinc/16/79/75/1248167975.db2.gz DDROTKOJPWWIIR-PBHICJAKSA-N 0 0 338.423 2.340 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000850262456 1277132008 /nfs/dbraw/zinc/13/20/08/1277132008.db2.gz XRECTFVDSINXCN-ZSHCYNCHSA-N 0 0 330.428 2.300 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C3CCOCC3)C2)cc1 ZINC000852207185 1292040049 /nfs/dbraw/zinc/04/00/49/1292040049.db2.gz AYJRJXRYPQHBKS-GDBMZVCRSA-N 0 0 347.459 2.388 10 10 EECERN CCOC(C)(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852272637 1292073634 /nfs/dbraw/zinc/07/36/34/1292073634.db2.gz MXGKTOGQIQTUEP-AWEZNQCLSA-N 0 0 335.448 2.388 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)C[C@H]3CCCOC3)C2)cc1 ZINC000852455636 1292119072 /nfs/dbraw/zinc/11/90/72/1292119072.db2.gz VHBVJRLNZMBENB-HZPDHXFCSA-N 0 0 347.459 2.342 10 10 EECERN O=C(NCCCSc1nccs1)N1CC[C@@H](O)C(F)(F)C1 ZINC000853856306 1292491823 /nfs/dbraw/zinc/49/18/23/1292491823.db2.gz XXGGIFWRNRHDCR-SECBINFHSA-N 0 0 337.417 2.037 10 10 EECERN CC[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCO1 ZINC000854298231 1292710263 /nfs/dbraw/zinc/71/02/63/1292710263.db2.gz YOKWFQUIUYEOHA-WBVHZDCISA-N 0 0 347.459 2.484 10 10 EECERN CCCN(CC(C)(C)O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300582 1292711057 /nfs/dbraw/zinc/71/10/57/1292711057.db2.gz WGNQFQBNNSPRQC-HNNXBMFYSA-N 0 0 349.475 2.466 10 10 EECERN Cc1cc(CC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000854890355 1292981891 /nfs/dbraw/zinc/98/18/91/1292981891.db2.gz GFYSABHVVORYTQ-DOTOQJQBSA-N 0 0 339.439 2.407 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3cccc(O)c3)C2)cc1 ZINC000855228026 1293119613 /nfs/dbraw/zinc/11/96/13/1293119613.db2.gz UDGMYUGVGXUCMP-OAHLLOKOSA-N 0 0 326.396 2.338 10 10 EECERN COCc1nc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000855229101 1293120667 /nfs/dbraw/zinc/12/06/67/1293120667.db2.gz HODKRWFGGZQXAW-LBPRGKRZSA-N 0 0 347.440 2.307 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3ccncc3)C2)cc1 ZINC000855231352 1293122114 /nfs/dbraw/zinc/12/21/14/1293122114.db2.gz KFLASKRMZCCHOC-INIZCTEOSA-N 0 0 325.412 2.418 10 10 EECERN CO[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856215129 1293448252 /nfs/dbraw/zinc/44/82/52/1293448252.db2.gz JZUKAWGKYFXRQN-OALUTQOASA-N 0 0 346.471 2.469 10 10 EECERN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](CC(F)(F)F)O1 ZINC000857338733 1293796729 /nfs/dbraw/zinc/79/67/29/1293796729.db2.gz PTYPDBZYIAIOFP-YUMQZZPRSA-N 0 0 337.269 2.419 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCCn3nccc32)C1 ZINC000859071517 1294310195 /nfs/dbraw/zinc/31/01/95/1294310195.db2.gz JNOLLHGHXIHKFX-ZDUSSCGKSA-N 0 0 332.404 2.233 10 10 EECERN CCOc1cc(O)ccc1NS(=O)(=O)C[C@H](OCC)C1CC1 ZINC000863408348 1296267663 /nfs/dbraw/zinc/26/76/63/1296267663.db2.gz MMIKLBQSWAMSML-HNNXBMFYSA-N 0 0 329.418 2.348 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001119630814 1309144085 /nfs/dbraw/zinc/14/40/85/1309144085.db2.gz XTPCEPLKLPBNFG-KKUMJFAQSA-N 0 0 347.411 2.124 10 10 EECERN C[C@@H](O)CN(c1nnc(C2SC=CC2=O)n1CC1CC1)C1CC1 ZINC001123424081 1310562537 /nfs/dbraw/zinc/56/25/37/1310562537.db2.gz MDKCQQFGPRRAET-SNVBAGLBSA-N 0 0 334.445 2.472 10 10 EECERN O=S1(=O)CCN(Cc2c(O)ccc3ccncc32)[C@H]2CCC[C@@H]21 ZINC000840147064 1315308380 /nfs/dbraw/zinc/30/83/80/1315308380.db2.gz SMAZQMVGVGOBFA-RDJZCZTQSA-N 0 0 332.425 2.092 10 10 EECERN Cn1c(=O)oc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)c(F)cc21 ZINC001141951001 1315398090 /nfs/dbraw/zinc/39/80/90/1315398090.db2.gz WXBDZMAAOJZPBM-HYXAFXHYSA-N 0 0 344.298 2.334 10 10 EECERN COc1cc(C)c(NC(=O)C(=O)NCCc2ccc(N)cc2)cc1C ZINC000841176903 1315497273 /nfs/dbraw/zinc/49/72/73/1315497273.db2.gz XNWZZCOSDYJTGE-UHFFFAOYSA-N 0 0 341.411 2.192 10 10 EECERN COc1ccc(N2CC[C@@H](COC(=O)Cc3cncnc3)C2)cc1 ZINC000842872710 1315788928 /nfs/dbraw/zinc/78/89/28/1315788928.db2.gz CJQQSJCSSJBMKT-CQSZACIVSA-N 0 0 327.384 2.097 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2Cc3ccccc3OC2=O)cc1 ZINC000843520201 1315926982 /nfs/dbraw/zinc/92/69/82/1315926982.db2.gz VJUOOXZBJCQWHQ-UHFFFAOYSA-N 0 0 339.395 2.383 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@]1(C)CCOC1=O ZINC001251619933 1317476966 /nfs/dbraw/zinc/47/69/66/1317476966.db2.gz YDEZMIUYMOPSKI-GOSISDBHSA-N 0 0 331.416 2.134 10 10 EECERN Cc1ccc(-c2nn(C)cc2C(=O)NCc2ccc(O)cc2O)o1 ZINC001162277847 1320803471 /nfs/dbraw/zinc/80/34/71/1320803471.db2.gz CMLIZGPPTZNHEL-UHFFFAOYSA-N 0 0 327.340 2.330 10 10 EECERN CC[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284201728 1326458158 /nfs/dbraw/zinc/45/81/58/1326458158.db2.gz PFWSFTKIMLIHAM-GHMZBOCLSA-N 0 0 333.392 2.130 10 10 EECERN CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1(C)CC1 ZINC001285068104 1326852824 /nfs/dbraw/zinc/85/28/24/1326852824.db2.gz PMKLSFYNIYWSFU-LBPRGKRZSA-N 0 0 345.403 2.274 10 10 EECERN CCC(=O)NCC1=CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001288356130 1327727108 /nfs/dbraw/zinc/72/71/08/1327727108.db2.gz ASMQIHMPUKJFII-UHFFFAOYSA-N 0 0 343.387 2.148 10 10 EECERN CNC(=O)c1cccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c1 ZINC001289054876 1327994319 /nfs/dbraw/zinc/99/43/19/1327994319.db2.gz YXDFCCCSAXACGT-UHFFFAOYSA-N 0 0 349.394 2.118 10 10 EECERN CN(C)c1ccc(CN(C(=O)c2ccnc3n[nH]nc32)C2CC2)cc1 ZINC001290739869 1328252417 /nfs/dbraw/zinc/25/24/17/1328252417.db2.gz JODBZILBVVNRAT-UHFFFAOYSA-N 0 0 336.399 2.224 10 10 EECERN CC(=O)N[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001297816904 1330005263 /nfs/dbraw/zinc/00/52/63/1330005263.db2.gz MYFYYPXFKBIDQG-AWEZNQCLSA-N 0 0 333.392 2.130 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cc(=O)c2ccc(F)cc2o1 ZINC001303194447 1331348185 /nfs/dbraw/zinc/34/81/85/1331348185.db2.gz BURGGDMOPUWKNA-UHFFFAOYSA-N 0 0 329.283 2.273 10 10 EECERN COC(=O)C1CC2(C1)C[N@H+](Cc1cc(C)c(C)cc1O)C[C@H]2C(=O)[O-] ZINC000903693643 1331609896 /nfs/dbraw/zinc/60/98/96/1331609896.db2.gz JDJQYPOPPBFDNH-HVEKOLDVSA-N 0 0 347.411 2.095 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC001332038145 1335711717 /nfs/dbraw/zinc/71/17/17/1335711717.db2.gz CQYUSMVLFPFBJB-GFCCVEGCSA-N 0 0 344.333 2.152 10 10 EECERN C[C@@H](C[C@H](C)NC(=O)C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001339759107 1337068587 /nfs/dbraw/zinc/06/85/87/1337068587.db2.gz DAKDPLUQGLNIGB-QWRGUYRKSA-N 0 0 345.403 2.272 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CC1(F)F ZINC001347966904 1337528025 /nfs/dbraw/zinc/52/80/25/1337528025.db2.gz XUJPUDJXBRDGQA-ZDUSSCGKSA-N 0 0 340.370 2.292 10 10 EECERN CN(C)c1ccc(/C=C/C[NH2+][C@@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1 ZINC001350652228 1337732381 /nfs/dbraw/zinc/73/23/81/1337732381.db2.gz HHLXQQQEVMOQIQ-CWDCEQMOSA-N 0 0 348.834 2.359 10 10 EECERN COc1ccc(N(C)CCN(C)c2nccc3c(=O)[nH]cnc32)cc1 ZINC000848734219 1338752184 /nfs/dbraw/zinc/75/21/84/1338752184.db2.gz NIRLKDNBVDKQIV-UHFFFAOYSA-N 0 0 339.399 2.312 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc(C2N=NC(=S)O2)cc1 ZINC001557084639 1342440449 /nfs/dbraw/zinc/44/04/49/1342440449.db2.gz IDWGNBQGOHKFMR-UHFFFAOYSA-N 0 0 343.364 2.367 10 10 EECERN CCn1c(=O)[nH]c2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc21 ZINC001566369987 1342571112 /nfs/dbraw/zinc/57/11/12/1342571112.db2.gz HEZAHOPLBFKSQR-UHFFFAOYSA-N 0 0 341.367 2.146 10 10 EECERN C/C=C(\C)C(=O)N(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001572247640 1343444447 /nfs/dbraw/zinc/44/44/47/1343444447.db2.gz PTLJZSFUFNZBFS-YTNHSKMGSA-N 0 0 345.403 2.392 10 10 EECERN C[C@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)COc2ccccc2O1 ZINC001585591821 1348807798 /nfs/dbraw/zinc/80/77/98/1348807798.db2.gz FJOZXMSIJJIADL-XSBJJCPUSA-N 0 0 341.363 2.457 10 10 EECERN Cc1noc(-c2ccc(C(=O)NCc3cc(O)ccc3O)cc2)n1 ZINC001593872787 1349873123 /nfs/dbraw/zinc/87/31/23/1349873123.db2.gz FEIAQNBYYUMNDL-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cc(O)cc(Br)c1 ZINC001595595693 1349889808 /nfs/dbraw/zinc/88/98/08/1349889808.db2.gz JJUFKBQESJKBIV-UHFFFAOYSA-N 0 0 338.157 2.496 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001595751060 1349893760 /nfs/dbraw/zinc/89/37/60/1349893760.db2.gz CXTULWCBWMEDLP-HUUCEWRRSA-N 0 0 342.351 2.468 10 10 EECERN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001598328909 1349937172 /nfs/dbraw/zinc/93/71/72/1349937172.db2.gz ARFJPYNUMZXVJA-OXHZDVMGSA-N 0 0 344.371 2.167 10 10 EECERN CS(=O)(=O)c1ccccc1C(=O)NCc1cccc(Cl)c1O ZINC001606861218 1351367600 /nfs/dbraw/zinc/36/76/00/1351367600.db2.gz YOOIIAGVMOQTCA-UHFFFAOYSA-N 0 0 339.800 2.379 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccnc(C(F)(F)F)c1 ZINC001627923618 1352514276 /nfs/dbraw/zinc/51/42/76/1352514276.db2.gz ONVFKKXCYVZUDS-UHFFFAOYSA-N 0 0 326.274 2.371 10 10 EECERN CCCCCNC(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001630073012 1352563157 /nfs/dbraw/zinc/56/31/57/1352563157.db2.gz JPGPLNMQCOTELB-UHFFFAOYSA-N 0 0 348.443 2.185 10 10 EECERN CN(C)c1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001630944020 1352574534 /nfs/dbraw/zinc/57/45/34/1352574534.db2.gz XPDFPVPPRUAFQD-UHFFFAOYSA-N 0 0 326.360 2.240 10 10 EECERN COCCO[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001634970523 1352637485 /nfs/dbraw/zinc/63/74/85/1352637485.db2.gz KMCJVGWXXOJFHW-AWEZNQCLSA-N 0 0 334.376 2.117 10 10 EECERN CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(O)cc2O)CCC1 ZINC001638352471 1352687692 /nfs/dbraw/zinc/68/76/92/1352687692.db2.gz PGDRJZIPWHISDN-UHFFFAOYSA-N 0 0 336.388 2.161 10 10 EECERN Cn1cc(Br)cc1C(=O)NCc1c(O)cccc1O ZINC001639289031 1352696395 /nfs/dbraw/zinc/69/63/95/1352696395.db2.gz GXUPOWBWLGGHPM-UHFFFAOYSA-N 0 0 325.162 2.129 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCN(c2ccccc2F)C1 ZINC001644754493 1352768925 /nfs/dbraw/zinc/76/89/25/1352768925.db2.gz YWCXYIQENCIOGL-GFCCVEGCSA-N 0 0 330.359 2.380 10 10 EECERN COc1ncc(Br)c(NCc2c(O)cccc2O)n1 ZINC001651451948 1354053242 /nfs/dbraw/zinc/05/32/42/1354053242.db2.gz RNFSFQLMXZVUDL-UHFFFAOYSA-N 0 0 326.150 2.271 10 10 EECERN CCN(C(=O)CNC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC001652006730 1354073086 /nfs/dbraw/zinc/07/30/86/1354073086.db2.gz SBCDHYAQZLRYDG-UHFFFAOYSA-N 0 0 328.368 2.189 10 10 EECERN COc1cccc(CNC(=O)NCc2c(C)nc3ccccn32)c1O ZINC001687813066 1358630607 /nfs/dbraw/zinc/63/06/07/1358630607.db2.gz PYESDMURKVDPIQ-UHFFFAOYSA-N 0 0 340.383 2.356 10 10 EECERN COCCNc1nc(CC(=O)NCc2cc(C)ccc2O)cs1 ZINC001167293722 757704070 /nfs/dbraw/zinc/70/40/70/757704070.db2.gz PLTNUCRXKAYGPK-UHFFFAOYSA-N 0 0 335.429 2.074 10 10 EECERN CC(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccccc2O)Oc2ccccc21 ZINC000827982546 761051055 /nfs/dbraw/zinc/05/10/55/761051055.db2.gz YCKFEUBFCAMCRW-KPZWWZAWSA-N 0 0 340.379 2.384 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780388204 768905781 /nfs/dbraw/zinc/90/57/81/768905781.db2.gz YUCLVSBHVIXVLZ-BBWFWOEESA-N 0 0 332.469 2.281 10 10 EECERN CO[C@H](CS(=O)(=O)NCc1c(O)cccc1F)C1CCCC1 ZINC000921451121 773381803 /nfs/dbraw/zinc/38/18/03/773381803.db2.gz KESQRFLSICRTKT-OAHLLOKOSA-N 0 0 331.409 2.156 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000182532087 779169318 /nfs/dbraw/zinc/16/93/18/779169318.db2.gz DUBMGLLHLRLHSI-UHFFFAOYSA-N 0 0 327.296 2.417 10 10 EECERN Cc1cc(CC(=O)N2CC[C@](C)(C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000846950276 790769051 /nfs/dbraw/zinc/76/90/51/790769051.db2.gz MMTFUPYNNQCMLV-FQEVSTJZSA-N 0 0 339.439 2.361 10 10 EECERN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccnn1C ZINC000817514705 784831965 /nfs/dbraw/zinc/83/19/65/784831965.db2.gz BJWHIOAFQHGSQZ-HNNXBMFYSA-N 0 0 342.443 2.019 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)c3c[nH]cn3)C2)cc1 ZINC000819588786 785598150 /nfs/dbraw/zinc/59/81/50/785598150.db2.gz OPSRVBGSPLABBZ-CQSZACIVSA-N 0 0 342.443 2.339 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccn(C)c1C ZINC000819698336 785645207 /nfs/dbraw/zinc/64/52/07/785645207.db2.gz KYJJSKNPTONFFX-UHFFFAOYSA-N 0 0 330.384 2.245 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001146233255 791143137 /nfs/dbraw/zinc/14/31/37/791143137.db2.gz SCSVOGFHYJFRTO-HNNXBMFYSA-N 0 0 348.786 2.446 10 10 EECERN CC12CC(C1)CN2C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823518962 787800680 /nfs/dbraw/zinc/80/06/80/787800680.db2.gz DJMKAICKRPKODL-UHFFFAOYSA-N 0 0 329.444 2.342 10 10 EECERN CCc1nnc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000912292092 788090494 /nfs/dbraw/zinc/09/04/94/788090494.db2.gz JIICSMNDWGMPRU-LLVKDONJSA-N 0 0 332.429 2.118 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@H](C2CC2)C2CCOCC2)c1 ZINC000844976955 789498618 /nfs/dbraw/zinc/49/86/18/789498618.db2.gz ZCKWVLQMBGVGCG-QGZVFWFLSA-N 0 0 334.416 2.405 10 10 EECERN Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000846106739 790063868 /nfs/dbraw/zinc/06/38/68/790063868.db2.gz FHJWISYDDZNJNE-CQSZACIVSA-N 0 0 329.356 2.166 10 10 EECERN C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000846193513 790086267 /nfs/dbraw/zinc/08/62/67/790086267.db2.gz MSFKFZAAJXNGCK-OTYXRUKQSA-N 0 0 348.212 2.486 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000186411881 792605464 /nfs/dbraw/zinc/60/54/64/792605464.db2.gz BXBJCFUFHRWZRH-LLVKDONJSA-N 0 0 347.415 2.458 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC(c2ncc(C3CC3)cn2)C1 ZINC000913620190 793985892 /nfs/dbraw/zinc/98/58/92/793985892.db2.gz NXZMGHSLRGIHQA-KXFIGUGUSA-N 0 0 337.379 2.404 10 10 EECERN O=C(NCCN1Cc2ccccc2C1)NCc1c(O)cccc1F ZINC000915177755 795696368 /nfs/dbraw/zinc/69/63/68/795696368.db2.gz SKAFNBSBSGZJBR-UHFFFAOYSA-N 0 0 329.375 2.346 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000785421356 797748827 /nfs/dbraw/zinc/74/88/27/797748827.db2.gz CFSVNHNPJQHJBA-HOTGVXAUSA-N 0 0 329.444 2.017 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cc(-n2ccnn2)ccc1F ZINC001178413429 799467576 /nfs/dbraw/zinc/46/75/76/799467576.db2.gz RPWAVIKWRLXGFN-UHFFFAOYSA-N 0 0 330.294 2.181 10 10 EECERN Cc1cc(CCNC(=O)CCCC(N)=O)c(C)n1-c1ccccc1 ZINC000786778441 806887277 /nfs/dbraw/zinc/88/72/77/806887277.db2.gz LZNBLQCZUREDAV-UHFFFAOYSA-N 0 0 327.428 2.408 10 10 EECERN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc([S@](C)=O)cc1 ZINC001183135225 801491341 /nfs/dbraw/zinc/49/13/41/801491341.db2.gz JAURFLAWGPJFIH-KLVQOETNSA-N 0 0 337.372 2.465 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)NCc1ncccc1O ZINC000792028080 809551379 /nfs/dbraw/zinc/55/13/79/809551379.db2.gz MRAXUBHPXVDKDI-UHFFFAOYSA-N 0 0 326.400 2.387 10 10 EECERN O=C(NC[C@H](CO)Cc1ccc(F)c(F)c1)C1=CC(=O)CS1 ZINC000792511935 809775226 /nfs/dbraw/zinc/77/52/26/809775226.db2.gz FLKAJAXLEVSETL-SNVBAGLBSA-N 0 0 327.352 2.313 10 10 EECERN COc1ccc(CNC(=O)NCCCc2c(C)nn(C)c2C)c(O)c1 ZINC000793039313 810111473 /nfs/dbraw/zinc/11/14/73/810111473.db2.gz WKKXPPPCPLSUDC-UHFFFAOYSA-N 0 0 346.431 2.183 10 10 EECERN C[C@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000805864420 811592002 /nfs/dbraw/zinc/59/20/02/811592002.db2.gz VBGKAYMQBUBNEF-LRDDRELGSA-N 0 0 335.423 2.385 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000808506492 812677993 /nfs/dbraw/zinc/67/79/93/812677993.db2.gz MGBAAUFPNIFDME-UHFFFAOYSA-N 0 0 329.230 2.381 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000808519405 812687726 /nfs/dbraw/zinc/68/77/26/812687726.db2.gz AJHSSWQVMAKSOE-WDEREUQCSA-N 0 0 330.258 2.390 10 10 EECERN O=C(Cc1cccc2nsnc21)NCCc1ccc(O)c(O)c1 ZINC001566370310 1125598154 /nfs/dbraw/zinc/59/81/54/1125598154.db2.gz VNHOYQGKUXASAM-UHFFFAOYSA-N 0 0 329.381 2.004 10 10 EECERN O=C([O-])[C@H](Cc1ncccn1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001329584577 1126174692 /nfs/dbraw/zinc/17/46/92/1126174692.db2.gz VGLSBWFENQSWEP-KRWDZBQOSA-N 0 0 340.427 2.252 10 10 EECERN Cn1nc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc1C=O ZINC001450707524 1095103526 /nfs/dbraw/zinc/10/35/26/1095103526.db2.gz MLQVQDSMCMDUBR-UHFFFAOYSA-N 0 0 346.350 2.195 10 10 EECERN COC(=O)c1ccc2c(c1)CCN2C(=O)c1c[nH]nc1-c1cccnc1 ZINC001451927531 1098038193 /nfs/dbraw/zinc/03/81/93/1098038193.db2.gz MAQAFORGFDZRMB-UHFFFAOYSA-N 0 0 348.362 2.461 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2Cc3ccccc3NC(=O)C2)cc1 ZINC001452376134 1105444048 /nfs/dbraw/zinc/44/40/48/1105444048.db2.gz ABJFKLGZYHHIDC-UHFFFAOYSA-N 0 0 337.339 2.444 10 10 EECERN COc1ccc(N(CCn2cnnn2)Cc2ccccc2)cc1OC ZINC001460975928 1110331049 /nfs/dbraw/zinc/33/10/49/1110331049.db2.gz WTUAFAYZRHAMFG-UHFFFAOYSA-N 0 0 339.399 2.397 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)[C@@H]2CCOC2)cc1 ZINC001466519988 1110437486 /nfs/dbraw/zinc/43/74/86/1110437486.db2.gz ZGHRTNKDAKPNHL-SJLPKXTDSA-N 0 0 328.412 2.221 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC001466519986 1110437499 /nfs/dbraw/zinc/43/74/99/1110437499.db2.gz ZGHRTNKDAKPNHL-AEFFLSMTSA-N 0 0 328.412 2.221 10 10 EECERN Cc1cc(C(=O)NCc2cc(O)ccc2O)c(C)n1-c1ccn(C)n1 ZINC001471661831 1110527685 /nfs/dbraw/zinc/52/76/85/1110527685.db2.gz DSQTUZJKHKAXNK-UHFFFAOYSA-N 0 0 340.383 2.169 10 10 EECERN Cc1cc(NC(=O)c2cccc(O)c2O)ccc1N1CCOCC1=O ZINC001472173986 1110547359 /nfs/dbraw/zinc/54/73/59/1110547359.db2.gz WZPMIAZXTQMUCJ-UHFFFAOYSA-N 0 0 342.351 2.022 10 10 EECERN CCOC(=O)c1cn(CC)nc1NC(=O)c1ccc(C)c(O)c1O ZINC001472287779 1110550843 /nfs/dbraw/zinc/55/08/43/1110550843.db2.gz RNSRCDDAGSSWKQ-UHFFFAOYSA-N 0 0 333.344 2.052 10 10 EECERN O=C(NCC[C@H]1COc2ccccc2O1)c1c(F)ccc(O)c1O ZINC001472580365 1110559596 /nfs/dbraw/zinc/55/95/96/1110559596.db2.gz WGXCVGNGDZGQHJ-JTQLQIEISA-N 0 0 333.315 2.197 10 10 EECERN CC(=O)N(C)c1ccc(S(=O)(=O)NCc2cc(C)ccc2O)cc1 ZINC001475510788 1110613897 /nfs/dbraw/zinc/61/38/97/1110613897.db2.gz HPWOBSNDLHAYHH-UHFFFAOYSA-N 0 0 348.424 2.162 10 10 EECERN C[C@@H]1C[C@@H]1n1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O ZINC001512057407 1118381960 /nfs/dbraw/zinc/38/19/60/1118381960.db2.gz VKIBNLHOJFRQSX-BNOWGMLFSA-N 0 0 341.415 2.152 10 10 EECERN CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1cccc(O)c1O ZINC001528771821 1121162938 /nfs/dbraw/zinc/16/29/38/1121162938.db2.gz ZXIGOGPIHGBEDF-UPJWGTAASA-N 0 0 348.399 2.112 10 10 EECERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)N1CCCC[C@H]1C ZINC001542940490 1124118060 /nfs/dbraw/zinc/11/80/60/1124118060.db2.gz URJDTRCQYMEEFI-NEPJUHHUSA-N 0 0 345.403 2.368 10 10 EECERN CN1CCCc2cc(/C=C/C(=O)N3CCC4(CC3)OCCO4)ccc21 ZINC000061377895 462581797 /nfs/dbraw/zinc/58/17/97/462581797.db2.gz YVKMJDJFKMVMKY-FNORWQNLSA-N 0 0 342.439 2.448 10 10 EECERN Cc1cc(C)c(CNC(=O)NCc2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000061442205 462584653 /nfs/dbraw/zinc/58/46/53/462584653.db2.gz YOJARVWURJRRPO-UHFFFAOYSA-N 0 0 328.416 2.057 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2CCO[C@H]2C)cc1F ZINC000135596431 463180742 /nfs/dbraw/zinc/18/07/42/463180742.db2.gz IBAAOPPJXMBFTR-LRDDRELGSA-N 0 0 344.452 2.269 10 10 EECERN CC(C)n1cnc(S(=O)(=O)N(Cc2ccc(N)cc2)C2CC2)c1 ZINC000097094601 463321557 /nfs/dbraw/zinc/32/15/57/463321557.db2.gz HYAQHLHZMSLYGM-UHFFFAOYSA-N 0 0 334.445 2.400 10 10 EECERN COCC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000058279689 463566322 /nfs/dbraw/zinc/56/63/22/463566322.db2.gz BFSKYUVFRRMTIF-NSHDSACASA-N 0 0 332.322 2.174 10 10 EECERN COc1ccc(N2CCN(C(=O)c3n[nH]c(C)c3C)CC2)cc1F ZINC000084814842 463634097 /nfs/dbraw/zinc/63/40/97/463634097.db2.gz HIVBYCAGZCIQOU-UHFFFAOYSA-N 0 0 332.379 2.137 10 10 EECERN C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000287479634 463904104 /nfs/dbraw/zinc/90/41/04/463904104.db2.gz SENOQQKIIDUTNG-AWEZNQCLSA-N 0 0 331.460 2.406 10 10 EECERN CN1CCCc2cc(CNC(=O)C(=O)NCC3CCCCC3)ccc21 ZINC000283511726 463910816 /nfs/dbraw/zinc/91/08/16/463910816.db2.gz IEWZPMXTBAHUNN-UHFFFAOYSA-N 0 0 343.471 2.382 10 10 EECERN Cc1cc(C(=O)N2CCO[C@@]3(CCOC3)C2)c(C)n1-c1ccccn1 ZINC000186023982 463924084 /nfs/dbraw/zinc/92/40/84/463924084.db2.gz SEJBLSDXMWYNTI-IBGZPJMESA-N 0 0 341.411 2.121 10 10 EECERN COC(C)(C)CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000289616276 464087124 /nfs/dbraw/zinc/08/71/24/464087124.db2.gz XMUSVDZHIVFRGE-UHFFFAOYSA-N 0 0 340.489 2.472 10 10 EECERN CO[C@H]1COCC[C@H]1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000294810427 464612030 /nfs/dbraw/zinc/61/20/30/464612030.db2.gz CNDQMCJFGNHAHH-KSSFIOAISA-N 0 0 333.428 2.329 10 10 EECERN C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C1CCCC1 ZINC000285593445 464620720 /nfs/dbraw/zinc/62/07/20/464620720.db2.gz AXSQEQUDLMOGHU-AWEZNQCLSA-N 0 0 343.471 2.380 10 10 EECERN CO[C@H](C)c1noc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)n1 ZINC000267461562 464933947 /nfs/dbraw/zinc/93/39/47/464933947.db2.gz SFYSNGVHIYCDDC-SNVBAGLBSA-N 0 0 337.351 2.456 10 10 EECERN COC(=O)[C@]12C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]1COCC2 ZINC000366282487 465631197 /nfs/dbraw/zinc/63/11/97/465631197.db2.gz LLWNMTJJIAHVPR-BLLLJJGKSA-N 0 0 325.792 2.057 10 10 EECERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc2c(cc1O)OCO2 ZINC000361997597 466471527 /nfs/dbraw/zinc/47/15/27/466471527.db2.gz ORBCOEGHKBRUHH-CQSZACIVSA-N 0 0 345.399 2.045 10 10 EECERN CN(C)c1ccc(CN2C(=O)[C@@H]3[C@H]4CCC[C@H]4CN3C2=O)cc1F ZINC000372912565 466635149 /nfs/dbraw/zinc/63/51/49/466635149.db2.gz PWICOESRKUZNOX-XEZPLFJOSA-N 0 0 331.391 2.454 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCOCC1 ZINC000373264825 466747912 /nfs/dbraw/zinc/74/79/12/466747912.db2.gz RIPMUUDSAGINBT-SFHVURJKSA-N 0 0 346.471 2.328 10 10 EECERN CCn1cc(-c2nn(C)cc2C(=O)N2CCCc3cccnc32)cn1 ZINC000653969672 471792048 /nfs/dbraw/zinc/79/20/48/471792048.db2.gz FWQPEQWENQICLT-UHFFFAOYSA-N 0 0 336.399 2.292 10 10 EECERN C[C@H]1CN(c2ccc(CNC(=O)C3=CC(=O)CS3)cn2)C[C@H](C)O1 ZINC000731869449 577131350 /nfs/dbraw/zinc/13/13/50/577131350.db2.gz IBXHCMWXORFQCF-RYUDHWBXSA-N 0 0 347.440 2.392 10 10 EECERN C[C@H](CCNC(=O)NCc1ccc(N2CCCC2)cc1)[S@](C)=O ZINC000765679284 577505008 /nfs/dbraw/zinc/50/50/08/577505008.db2.gz QRJPTZSUROJUKW-FATZIPQQSA-N 0 0 337.489 2.243 10 10 EECERN C[C@H](NC(=O)[C@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000766483213 577520325 /nfs/dbraw/zinc/52/03/25/577520325.db2.gz DUUZNRAGCGGKCD-VKJFTORMSA-N 0 0 332.444 2.373 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN3C(=O)N=NC3C2)cc1 ZINC000763218093 577717087 /nfs/dbraw/zinc/71/70/87/577717087.db2.gz ZEPFWYJWHUOZRP-UHFFFAOYSA-N 0 0 337.383 2.047 10 10 EECERN C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756737305 577849598 /nfs/dbraw/zinc/84/95/98/577849598.db2.gz SLZIGOWNUPHOMY-ZUZCIYMTSA-N 0 0 340.370 2.101 10 10 EECERN CCOCCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000744474710 577898445 /nfs/dbraw/zinc/89/84/45/577898445.db2.gz WDKKGDOXTHVWJW-UHFFFAOYSA-N 0 0 339.347 2.238 10 10 EECERN CCc1n[nH]cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000749405587 577975898 /nfs/dbraw/zinc/97/58/98/577975898.db2.gz HCORFRVWKHFOQN-UHFFFAOYSA-N 0 0 346.406 2.002 10 10 EECERN C[C@H](NC(=S)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000140013383 679567671 /nfs/dbraw/zinc/56/76/71/679567671.db2.gz PLROXBYCVGRGPI-WMLDXEAASA-N 0 0 349.500 2.227 10 10 EECERN COC(=O)CC(C)(C)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000924990864 682305680 /nfs/dbraw/zinc/30/56/80/682305680.db2.gz YRCGIKLWZYERNE-NSHDSACASA-N 0 0 338.404 2.350 10 10 EECERN Cn1nc(Br)nc1CNCc1cc(Cl)ccc1O ZINC000895141424 684096574 /nfs/dbraw/zinc/09/65/74/684096574.db2.gz ZMLHNUFEVHFRMF-UHFFFAOYSA-N 0 0 331.601 2.226 10 10 EECERN CCn1nncc1CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895390301 684577178 /nfs/dbraw/zinc/57/71/78/684577178.db2.gz WJAHSNBOOIJCFC-UHFFFAOYSA-N 0 0 345.378 2.005 10 10 EECERN Cc1cnn(C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C(=O)[O-])c1 ZINC000904005295 694266448 /nfs/dbraw/zinc/26/64/48/694266448.db2.gz KUXKJGHSJGDVAU-VGOKWCNXSA-N 0 0 328.416 2.014 10 10 EECERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CC(C)(C)OC1=O ZINC000897832906 691797156 /nfs/dbraw/zinc/79/71/56/691797156.db2.gz PSKGNAYIDQDXDD-SECBINFHSA-N 0 0 335.381 2.479 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@](O)(C(F)F)C1 ZINC000897894792 691814900 /nfs/dbraw/zinc/81/49/00/691814900.db2.gz ULAPWLJEOPRZEQ-CQSZACIVSA-N 0 0 329.324 2.155 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1CCC(=O)NC(C)(C)C ZINC001707861413 1176062029 /nfs/dbraw/zinc/06/20/29/1176062029.db2.gz HOFBGSNXLUXWAZ-UHFFFAOYSA-N 0 0 345.447 2.233 10 10 EECERN NC(=O)CC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001625876186 1178267212 /nfs/dbraw/zinc/26/72/12/1178267212.db2.gz SCTYQUGKSQHLOO-UHFFFAOYSA-N 0 0 334.397 2.040 10 10 EECERN CC1(C)C(=O)Nc2cc(C(=O)NCc3ccc(O)cc3O)ccc21 ZINC001142533223 1188238024 /nfs/dbraw/zinc/23/80/24/1188238024.db2.gz HNWMQZICMHUKTQ-UHFFFAOYSA-N 0 0 326.352 2.258 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](O)c1cnc[nH]1 ZINC000864636993 1197857300 /nfs/dbraw/zinc/85/73/00/1197857300.db2.gz DRFHCYDTWTUPGK-KRWDZBQOSA-N 0 0 328.416 2.092 10 10 EECERN O=C1/C(=C/c2cn(C[C@H]3CCOC3)nn2)c2cccc3c2N1CCC3 ZINC000865225759 1198130957 /nfs/dbraw/zinc/13/09/57/1198130957.db2.gz IZTKFWICRBWBDA-LFMVTYOGSA-N 0 0 336.395 2.148 10 10 EECERN CC(=O)N1CCN(c2ccc(CNc3ncnc(F)c3C)cc2)CC1 ZINC000872517878 1198224339 /nfs/dbraw/zinc/22/43/39/1198224339.db2.gz BEELZFRLAHYLED-UHFFFAOYSA-N 0 0 343.406 2.205 10 10 EECERN C[C@@H](NCc1cn(C[C@H]2CCOC2)nn1)c1ccc(N(C)C)cc1 ZINC000865532267 1198261943 /nfs/dbraw/zinc/26/19/43/1198261943.db2.gz WSKGHVHNORVJRN-HUUCEWRRSA-N 0 0 329.448 2.231 10 10 EECERN COCCn1ncc(C(=O)NCc2ccc(N(C)C)cc2C)c1C ZINC000865904885 1198420248 /nfs/dbraw/zinc/42/02/48/1198420248.db2.gz SVANDSDXXHXCAH-UHFFFAOYSA-N 0 0 330.432 2.142 10 10 EECERN C[C@@H]([NH2+]C1COCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000813880859 1199202782 /nfs/dbraw/zinc/20/27/82/1199202782.db2.gz RKTDFORQOYQMBB-MRVPVSSYSA-N 0 0 334.185 2.360 10 10 EECERN CC(C)[C@@]1(CO)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000814941586 1199802367 /nfs/dbraw/zinc/80/23/67/1199802367.db2.gz NCVMDYRXCDWPQF-KRWDZBQOSA-N 0 0 349.387 2.161 10 10 EECERN CCOC(=O)c1c(C)onc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000811156518 1199908310 /nfs/dbraw/zinc/90/83/10/1199908310.db2.gz MLZZYDPBRIWHHL-ALCCZGGFSA-N 0 0 347.323 2.328 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccncc1 ZINC000869295485 1199995489 /nfs/dbraw/zinc/99/54/89/1199995489.db2.gz WXYFWXOUXKVWJB-HNNXBMFYSA-N 0 0 339.439 2.463 10 10 EECERN O=C(C1CC1)[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000811502703 1200114663 /nfs/dbraw/zinc/11/46/63/1200114663.db2.gz YUETXEFNIDLKKW-CQSZACIVSA-N 0 0 340.217 2.335 10 10 EECERN O=C(NCc1ccccc1O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000812962403 1201011945 /nfs/dbraw/zinc/01/19/45/1201011945.db2.gz BUZMYFFVUAMUCX-UHFFFAOYSA-N 0 0 345.302 2.122 10 10 EECERN Cc1cccc2c(=O)n(CCC(=O)N3Cc4cccc(O)c4C3)cnc12 ZINC000871199030 1201096024 /nfs/dbraw/zinc/09/60/24/1201096024.db2.gz RHCZPKQIQXTTTB-UHFFFAOYSA-N 0 0 349.390 2.343 10 10 EECERN O=C(NCc1cc(Br)ccc1O)C1(F)CCOCC1 ZINC000868306888 1201788052 /nfs/dbraw/zinc/78/80/52/1201788052.db2.gz GHGRCXIQRFSMJU-UHFFFAOYSA-N 0 0 332.169 2.290 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000868902641 1201902796 /nfs/dbraw/zinc/90/27/96/1201902796.db2.gz FXWYCIATQVEIGI-GPKDWTCOSA-N 0 0 332.400 2.184 10 10 EECERN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)O2)[C@H]1C ZINC000924275682 1205953863 /nfs/dbraw/zinc/95/38/63/1205953863.db2.gz QENKKONIRWBGFK-DVXLXGMQSA-N 0 0 347.411 2.200 10 10 EECERN COc1ccc(N2CC[C@@H](N3C(=O)[C@@H]4[C@H]5CC[C@H](C5)N4C3=O)C2)cc1 ZINC000924979650 1206057377 /nfs/dbraw/zinc/05/73/77/1206057377.db2.gz SIGGJBLYEHIEOT-CRNXPOROSA-N 0 0 341.411 2.089 10 10 EECERN COC(=O)/C(C)=C\CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000925026216 1206062040 /nfs/dbraw/zinc/06/20/40/1206062040.db2.gz GZUZRFBZXLKKKN-XFXZXTDPSA-N 0 0 332.400 2.190 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C1CCC2(COC2)CC1 ZINC000925105550 1206070118 /nfs/dbraw/zinc/07/01/18/1206070118.db2.gz GKVKWZKAIQLJKV-UHFFFAOYSA-N 0 0 330.384 2.116 10 10 EECERN CC(C)(C)OC(=O)CSCC(=O)NCc1c(O)cccc1F ZINC000928706520 1206413556 /nfs/dbraw/zinc/41/35/56/1206413556.db2.gz VRAYWGBHZDSJAS-UHFFFAOYSA-N 0 0 329.393 2.222 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000928712659 1206414082 /nfs/dbraw/zinc/41/40/82/1206414082.db2.gz VIOPVRKUJFGOIS-AWEZNQCLSA-N 0 0 346.358 2.435 10 10 EECERN C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000159615386 1208485434 /nfs/dbraw/zinc/48/54/34/1208485434.db2.gz XDIOMWOGDPOBDI-GXSJLCMTSA-N 0 0 327.222 2.241 10 10 EECERN CCc1ccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1F ZINC000091257969 1213591553 /nfs/dbraw/zinc/59/15/53/1213591553.db2.gz DMOFBMKYDRYWCO-UHFFFAOYSA-N 0 0 346.358 2.097 10 10 EECERN COc1ccccc1[C@@H](O)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000900894058 1234968243 /nfs/dbraw/zinc/96/82/43/1234968243.db2.gz AXXVWWLQQQTVEY-GOSISDBHSA-N 0 0 342.395 2.220 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)c1 ZINC000903356770 1240300958 /nfs/dbraw/zinc/30/09/58/1240300958.db2.gz GQNFSMSKMIIGSJ-SCLBCKFNSA-N 0 0 337.416 2.414 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3cccc(N)c3)C2)cc1 ZINC000851639101 1277696862 /nfs/dbraw/zinc/69/68/62/1277696862.db2.gz BBTPDXRSYNJLQJ-INIZCTEOSA-N 0 0 325.412 2.215 10 10 EECERN CC(C)(C)OCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852029562 1291962899 /nfs/dbraw/zinc/96/28/99/1291962899.db2.gz MSBOHMSEILYGRG-UHFFFAOYSA-N 0 0 349.475 2.262 10 10 EECERN C[C@]12COC[C@@H]1CN(C(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC000852138601 1292008605 /nfs/dbraw/zinc/00/86/05/1292008605.db2.gz PKLQLSNPBGJWFO-LPHOPBHVSA-N 0 0 327.428 2.241 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H](C)O[C@@H]3C)C2)cc1 ZINC000852381800 1292102554 /nfs/dbraw/zinc/10/25/54/1292102554.db2.gz DIXYXBZABBOWCA-FZKCQIBNSA-N 0 0 347.459 2.387 10 10 EECERN COC(=O)C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000852603188 1292142452 /nfs/dbraw/zinc/14/24/52/1292142452.db2.gz KJLUJDJODCQONY-MRXNPFEDSA-N 0 0 347.459 2.450 10 10 EECERN C[C@H]1C[C@H](NC(=O)NCCCSc2nccs2)c2ncnn21 ZINC000853855708 1292490635 /nfs/dbraw/zinc/49/06/35/1292490635.db2.gz DMYQENHKHOKBPI-UWVGGRQHSA-N 0 0 338.462 2.222 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](O)C(C)(C)C3)C2)cc1 ZINC000854297252 1292709137 /nfs/dbraw/zinc/70/91/37/1292709137.db2.gz LIDQRAMTNNIRBQ-RHSMWYFYSA-N 0 0 347.459 2.076 10 10 EECERN COCC1=CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854298509 1292710045 /nfs/dbraw/zinc/71/00/45/1292710045.db2.gz DHLDJQPDWLABRG-MRXNPFEDSA-N 0 0 345.443 2.262 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@H]3C3CC3)C2)cc1 ZINC000854298531 1292710057 /nfs/dbraw/zinc/71/00/57/1292710057.db2.gz DVBBXQYHAJYBSB-YJBOKZPZSA-N 0 0 345.443 2.094 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC3(O)CCCCC3)C2)cc1 ZINC000854302076 1292712259 /nfs/dbraw/zinc/71/22/59/1292712259.db2.gz XRTSQMISWUIQNM-HNNXBMFYSA-N 0 0 347.459 2.268 10 10 EECERN Cc1cc(CC(=O)N(C)CCOCCO)c(C)n1-c1ccccc1 ZINC000854347389 1292740070 /nfs/dbraw/zinc/74/00/70/1292740070.db2.gz CAWKQNDVWVQMIS-UHFFFAOYSA-N 0 0 330.428 2.104 10 10 EECERN CC(C)(C(=O)NCc1cc(Br)ccc1O)n1cccn1 ZINC000854442937 1292785552 /nfs/dbraw/zinc/78/55/52/1292785552.db2.gz ZKEBBOBHHXBJDY-UHFFFAOYSA-N 0 0 338.205 2.403 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(CO)c(F)c3)C2)cc1 ZINC000855226893 1293118600 /nfs/dbraw/zinc/11/86/00/1293118600.db2.gz UCJGYBPRCROJFW-OAHLLOKOSA-N 0 0 344.386 2.335 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4nccn4c3)C2)cc1 ZINC000855231938 1293122205 /nfs/dbraw/zinc/12/22/05/1293122205.db2.gz ZAQBIIOZVPLJEW-HNNXBMFYSA-N 0 0 336.395 2.352 10 10 EECERN COC(=O)CC(C)(C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233495 1293123150 /nfs/dbraw/zinc/12/31/50/1293123150.db2.gz HSANOARBSQAMRC-AWEZNQCLSA-N 0 0 348.443 2.370 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(F)ccc(O)c3O)C2)cc1 ZINC000857302113 1293786355 /nfs/dbraw/zinc/78/63/55/1293786355.db2.gz GVRCDVVWBPHAHK-LLVKDONJSA-N 0 0 346.358 2.254 10 10 EECERN C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)cc(F)c1[O-] ZINC000858494727 1294133361 /nfs/dbraw/zinc/13/33/61/1294133361.db2.gz MXFDZSYMKPRMDP-ZXFLCMHBSA-N 0 0 331.185 2.208 10 10 EECERN C/C=C\C[C@H]1CCC[N@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000863477279 1296299811 /nfs/dbraw/zinc/29/98/11/1296299811.db2.gz YTUGRHKQTMRNQS-DLGQBQFBSA-N 0 0 330.388 2.311 10 10 EECERN CC(=O)NCC(C)(C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124549561 1310915641 /nfs/dbraw/zinc/91/56/41/1310915641.db2.gz MTLCHNZJSBWMGG-UHFFFAOYSA-N 0 0 331.460 2.408 10 10 EECERN CC1(C(=O)[O-])CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000843039078 1315826295 /nfs/dbraw/zinc/82/62/95/1315826295.db2.gz ACHQEEDMYZNVCG-UHFFFAOYSA-N 0 0 336.407 2.349 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cn3ccnn3)o2)c1 ZINC001150542522 1316294866 /nfs/dbraw/zinc/29/48/66/1316294866.db2.gz BGYADPNKLKTACE-NSHDSACASA-N 0 0 342.355 2.125 10 10 EECERN COC(=O)Cc1ccccc1CNC(=O)NCc1ccccc1O ZINC001252334235 1317585480 /nfs/dbraw/zinc/58/54/80/1317585480.db2.gz NGBUFMJCYYYUNQ-UHFFFAOYSA-N 0 0 328.368 2.107 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001156885791 1318263953 /nfs/dbraw/zinc/26/39/53/1318263953.db2.gz OPKNESYWLCXDKA-HNNXBMFYSA-N 0 0 348.305 2.185 10 10 EECERN CCn1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)nn1 ZINC001160563774 1320198731 /nfs/dbraw/zinc/19/87/31/1320198731.db2.gz SWPNFLKLVFBIKX-UHFFFAOYSA-N 0 0 333.355 2.260 10 10 EECERN CCCCO[C@@H](C)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC001162539645 1320891686 /nfs/dbraw/zinc/89/16/86/1320891686.db2.gz KBLUAWNVSLFFQE-AWEZNQCLSA-N 0 0 337.416 2.489 10 10 EECERN Cc1ccc(C(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)c(O)c1O ZINC001162788188 1320958760 /nfs/dbraw/zinc/95/87/60/1320958760.db2.gz NJCCSKNRYKSQNZ-LURJTMIESA-N 0 0 331.250 2.299 10 10 EECERN CO[C@@H]1C[C@@H]2CN(C(=O)C3=CC(=O)CS3)Cc3cccnc3N2C1 ZINC001261885972 1322193257 /nfs/dbraw/zinc/19/32/57/1322193257.db2.gz QLHUEUVRVHOZSH-TZMCWYRMSA-N 0 0 345.424 2.098 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](O)c1ccccn1 ZINC001290375261 1328188755 /nfs/dbraw/zinc/18/87/55/1328188755.db2.gz XOHURZPSKLUIIU-GOSISDBHSA-N 0 0 325.412 2.374 10 10 EECERN Cc1nnc(CCn2c(C)nnc2N(C)Cc2ccccc2O)s1 ZINC001290685313 1328244947 /nfs/dbraw/zinc/24/49/47/1328244947.db2.gz IKFCJGONGKLUOB-UHFFFAOYSA-N 0 0 344.444 2.331 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(CC(F)F)CC1 ZINC001296246458 1329877311 /nfs/dbraw/zinc/87/73/11/1329877311.db2.gz MQHYBAHUJHMZBR-NSHDSACASA-N 0 0 342.386 2.122 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001302559240 1331329083 /nfs/dbraw/zinc/32/90/83/1331329083.db2.gz HTCRHCOLPSFNDL-FWPCIQOSSA-N 0 0 339.347 2.261 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1 ZINC001303695563 1331363759 /nfs/dbraw/zinc/36/37/59/1331363759.db2.gz GIJMEYZYZCVZSF-OAHLLOKOSA-N 0 0 344.346 2.322 10 10 EECERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)C1CC1 ZINC001306079634 1331452691 /nfs/dbraw/zinc/45/26/91/1331452691.db2.gz CDKYNAXRHSMDSS-SFHVURJKSA-N 0 0 330.432 2.344 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@](C)(F)C2)cc1 ZINC001324756567 1333753398 /nfs/dbraw/zinc/75/33/98/1333753398.db2.gz WGIAQQGUEZUFEQ-GOSISDBHSA-N 0 0 335.423 2.062 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001325934499 1333999447 /nfs/dbraw/zinc/99/94/47/1333999447.db2.gz FQCSKNKARPVHQM-NKGKWGDASA-N 0 0 343.471 2.023 10 10 EECERN O=C([O-])[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1CC1 ZINC001326705259 1334146831 /nfs/dbraw/zinc/14/68/31/1334146831.db2.gz UKNFIUFWWGYYGC-HNNXBMFYSA-N 0 0 336.407 2.253 10 10 EECERN CC(=O)C(=O)COC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC001327506381 1334303424 /nfs/dbraw/zinc/30/34/24/1334303424.db2.gz UAFGZUZHYITIAH-UHFFFAOYSA-N 0 0 343.173 2.308 10 10 EECERN CN(C)c1ccc(CNC(=O)Cn2ccc(C(F)F)n2)cc1F ZINC001329627880 1334687260 /nfs/dbraw/zinc/68/72/60/1334687260.db2.gz DOAUIOOZSFUWFX-UHFFFAOYSA-N 0 0 326.322 2.342 10 10 EECERN Cc1cc(CC(=O)N2CCS(=O)CC2)c(C)n1-c1ccccc1 ZINC001330256431 1334813645 /nfs/dbraw/zinc/81/36/45/1334813645.db2.gz XRKADAGTSUYYNW-UHFFFAOYSA-N 0 0 330.453 2.228 10 10 EECERN C[C@H](NC(=O)C(=O)NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccc(N(C)C)cc1 ZINC001332982285 1335941502 /nfs/dbraw/zinc/94/15/02/1335941502.db2.gz UTUXQNAVGAPABB-MBGYTDRXSA-N 0 0 343.471 2.482 10 10 EECERN CO[C@@H]1CC[C@H](C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001333289216 1335996466 /nfs/dbraw/zinc/99/64/66/1335996466.db2.gz HVHRLFPOGPMSFR-DOTOQJQBSA-N 0 0 348.443 2.069 10 10 EECERN C[C@@H]1CC=CC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001333801157 1336136772 /nfs/dbraw/zinc/13/67/72/1336136772.db2.gz RJSGCGHYRFLKDA-CRAIPNDOSA-N 0 0 341.455 2.374 10 10 EECERN O=C(Nc1ccc[n+]([O-])c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001350210133 1337681444 /nfs/dbraw/zinc/68/14/44/1337681444.db2.gz MTFOIZNTDMNYNJ-MRXNPFEDSA-N 0 0 343.383 2.239 10 10 EECERN COc1cccc(CNS(=O)(=O)C[C@@H](C)CC(F)(F)F)c1O ZINC000849375947 1339155289 /nfs/dbraw/zinc/15/52/89/1339155289.db2.gz ICKGWDYGHXKXIO-VIFPVBQESA-N 0 0 341.351 2.409 10 10 EECERN CCc1nnc(N(C)[C@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C ZINC001613914627 1352316476 /nfs/dbraw/zinc/31/64/76/1352316476.db2.gz FMNPLCRKSPLMIJ-KRWDZBQOSA-N 0 0 343.475 2.488 10 10 EECERN COC(=O)[C@H]1CC12CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001617772214 1352344825 /nfs/dbraw/zinc/34/48/25/1352344825.db2.gz GDVAQIMDAMADDN-CYBMUJFWSA-N 0 0 344.371 2.264 10 10 EECERN O=C(c1cccc(O)c1O)N1CCN(c2c(F)cccc2F)CC1 ZINC001557180345 1342443073 /nfs/dbraw/zinc/44/30/73/1342443073.db2.gz FHTBBUPIYABDNW-UHFFFAOYSA-N 0 0 334.322 2.338 10 10 EECERN O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1Cc2cccc(O)c2C1 ZINC001587928843 1348874876 /nfs/dbraw/zinc/87/48/76/1348874876.db2.gz UCDBIXQDMLNHKQ-UHFFFAOYSA-N 0 0 349.390 2.413 10 10 EECERN C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001596912006 1349913657 /nfs/dbraw/zinc/91/36/57/1349913657.db2.gz KIJDKVHINWEILL-LBPRGKRZSA-N 0 0 346.358 2.462 10 10 EECERN O=C(NC[C@@H](CO)Cc1ccco1)c1cc2cc(O)c(O)cc2s1 ZINC001625271180 1352444637 /nfs/dbraw/zinc/44/46/37/1352444637.db2.gz WLGGYCNHIODOJZ-JTQLQIEISA-N 0 0 347.392 2.487 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc3n[nH]c(=S)n3c2)cc1F ZINC001627046385 1352481403 /nfs/dbraw/zinc/48/14/03/1352481403.db2.gz UGEDUQNXXOJALD-UHFFFAOYSA-N 0 0 345.403 2.153 10 10 EECERN Cc1nc(-c2ccnc(NC(=O)C=Cc3ccc(O)c(O)c3)c2)n[nH]1 ZINC001638563518 1352689827 /nfs/dbraw/zinc/68/98/27/1352689827.db2.gz LCKNOUAIMLDCMF-HWKANZROSA-N 0 0 337.339 2.238 10 10 EECERN COc1cc(CCC(=O)NCc2ccc3cccnc3c2O)on1 ZINC001643284818 1352744992 /nfs/dbraw/zinc/74/49/92/1352744992.db2.gz MBIACPUWSVQZHV-UHFFFAOYSA-N 0 0 327.340 2.186 10 10 EECERN O=C(C1=CC(=O)CS1)N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001645383906 1352777535 /nfs/dbraw/zinc/77/75/35/1352777535.db2.gz TYWKXBDDJSBBFA-JKSUJKDBSA-N 0 0 344.436 2.179 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccnc(OCC(F)(F)F)c1 ZINC001647270182 1353213229 /nfs/dbraw/zinc/21/32/29/1353213229.db2.gz NODBWSUYWPGKCH-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN CCOC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001650737953 1354028287 /nfs/dbraw/zinc/02/82/87/1354028287.db2.gz BHKMTAFBELDTOM-UHFFFAOYSA-N 0 0 333.315 2.344 10 10 EECERN Cc1nnc(-c2ccc(C(=O)NCc3cccc(O)c3O)cc2)o1 ZINC001651172981 1354042214 /nfs/dbraw/zinc/04/22/14/1354042214.db2.gz MPYUKJYYBBULJU-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccn(-c2ccccc2F)n1 ZINC001651222730 1354044816 /nfs/dbraw/zinc/04/48/16/1354044816.db2.gz NZWKYNLWCRDJRY-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC001653753306 1354132067 /nfs/dbraw/zinc/13/20/67/1354132067.db2.gz TYLDGUNWAAIQIX-BXLSQVKPSA-N 0 0 348.399 2.283 10 10 EECERN C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C(=O)N1c1ccccc1 ZINC001654369865 1354147729 /nfs/dbraw/zinc/14/77/29/1354147729.db2.gz NDJMMSOUASEJAE-GXFFZTMASA-N 0 0 344.342 2.161 10 10 EECERN CCCC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001684245153 1358253285 /nfs/dbraw/zinc/25/32/85/1358253285.db2.gz NCJJBSUZXIOPDC-VDISTLRHSA-N 0 0 345.403 2.274 10 10 EECERN O=C(NCc1ncnn1-c1ccccc1)NCc1c(O)cccc1F ZINC001686346563 1358381106 /nfs/dbraw/zinc/38/11/06/1358381106.db2.gz NQPNZBJKEZTKNV-UHFFFAOYSA-N 0 0 341.346 2.111 10 10 EECERN FC(F)(F)[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000930121752 770616301 /nfs/dbraw/zinc/61/63/01/770616301.db2.gz WFKAXLSURRMBPF-OAHLLOKOSA-N 0 0 330.350 2.286 10 10 EECERN C[C@H](NC(=O)N1C[C@@H](O)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000817156232 784547791 /nfs/dbraw/zinc/54/77/91/784547791.db2.gz IVDPPOQSHGWHDS-MPGHIAIKSA-N 0 0 347.459 2.139 10 10 EECERN CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907615398 784773174 /nfs/dbraw/zinc/77/31/74/784773174.db2.gz RPVYKOVWQHICSW-KRWDZBQOSA-N 0 0 348.424 2.443 10 10 EECERN Nc1ccc(CCNC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000818544846 785288680 /nfs/dbraw/zinc/28/86/80/785288680.db2.gz RVPMXKMJBMNAQD-UHFFFAOYSA-N 0 0 341.411 2.073 10 10 EECERN C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C(=O)[O-] ZINC000818631099 785310437 /nfs/dbraw/zinc/31/04/37/785310437.db2.gz CEHYBJXZBVGDLF-GUYCJALGSA-N 0 0 336.407 2.347 10 10 EECERN COC(=O)N(C)CCN(C)Cc1c(O)cccc1Br ZINC000707163522 786166007 /nfs/dbraw/zinc/16/60/07/786166007.db2.gz JWILKJRMHMOKLY-UHFFFAOYSA-N 0 0 331.210 2.285 10 10 EECERN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910954895 787133446 /nfs/dbraw/zinc/13/34/46/787133446.db2.gz AAGIFWUTMYDAFM-MRXNPFEDSA-N 0 0 341.363 2.447 10 10 EECERN CC(=O)Nc1cnccc1C(=O)NCCCSc1nccs1 ZINC001144321890 789549072 /nfs/dbraw/zinc/54/90/72/789549072.db2.gz CFJUMJRDVMQMEG-UHFFFAOYSA-N 0 0 336.442 2.409 10 10 EECERN C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)c(F)cc1[O-] ZINC000846189554 790084663 /nfs/dbraw/zinc/08/46/63/790084663.db2.gz MOZNCQZFCVORMX-BIIVOSGPSA-N 0 0 331.185 2.208 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3CCO[C@H](C)CC3)CC2)cc1 ZINC000916226093 797558197 /nfs/dbraw/zinc/55/81/97/797558197.db2.gz OOTYRPPRIGBRGY-OAHLLOKOSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3cnnc(C)c3)CC2)cc1 ZINC000786177638 806717641 /nfs/dbraw/zinc/71/76/41/806717641.db2.gz CZBXNVRJPBBJTK-UHFFFAOYSA-N 0 0 326.400 2.192 10 10 EECERN COC(=O)CCC1(NC(=O)Cc2ccc(O)c(O)c2)CCCCC1 ZINC001178789353 799622233 /nfs/dbraw/zinc/62/22/33/799622233.db2.gz MQHJXOUNXLDCGR-UHFFFAOYSA-N 0 0 335.400 2.413 10 10 EECERN CN(C)c1ccc2c(c1)CN(C(=O)c1cc(C3CC3)n[nH]1)CCO2 ZINC000575540859 801756789 /nfs/dbraw/zinc/75/67/89/801756789.db2.gz GYXBKAJWZFDUKH-UHFFFAOYSA-N 0 0 326.400 2.388 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1 ZINC000806178622 811791004 /nfs/dbraw/zinc/79/10/04/811791004.db2.gz IKKAEWRGHOFLSL-WFASDCNBSA-N 0 0 330.384 2.001 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)NCCCC1CC1 ZINC000806282458 811814378 /nfs/dbraw/zinc/81/43/78/811814378.db2.gz LLFRYGWBVJLCML-UHFFFAOYSA-N 0 0 327.475 2.048 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(SC)[nH]c2=O)c1 ZINC001445971459 1091927699 /nfs/dbraw/zinc/92/76/99/1091927699.db2.gz VLLIWRBZDPFZQS-MRVPVSSYSA-N 0 0 335.385 2.109 10 10 EECERN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1noc(C(F)(F)F)n1 ZINC001452061804 1098166159 /nfs/dbraw/zinc/16/61/59/1098166159.db2.gz GVZHVIPBYFIJGS-OHCKJTPYSA-N 0 0 343.261 2.390 10 10 EECERN COc1ccc(CNC(=O)[C@H](C)N2CSCCSC2)c(O)c1 ZINC001448376285 1104482625 /nfs/dbraw/zinc/48/26/25/1104482625.db2.gz WHTRUJJZKCABPE-NSHDSACASA-N 0 0 342.486 2.103 10 10 EECERN COc1ccc(C(=O)NCc2c(O)cccc2F)c(OC)c1OC ZINC001456090463 1109073456 /nfs/dbraw/zinc/07/34/56/1109073456.db2.gz KJNMFUWFHZNHTP-UHFFFAOYSA-N 0 0 335.331 2.487 10 10 EECERN COc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(C)c1OC ZINC001456128595 1109099689 /nfs/dbraw/zinc/09/96/89/1109099689.db2.gz RMDHYBLQPMJKNQ-UHFFFAOYSA-N 0 0 331.368 2.282 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCc2ccc(CO)cc2)cc1 ZINC001546149134 1110402115 /nfs/dbraw/zinc/40/21/15/1110402115.db2.gz UQKXDSRQDIDLCQ-UHFFFAOYSA-N 0 0 326.356 2.314 10 10 EECERN CCC[C@H](O)CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001546152006 1110411640 /nfs/dbraw/zinc/41/16/40/1110411640.db2.gz OOBOFKJDRULWPL-ZDUSSCGKSA-N 0 0 343.807 2.098 10 10 EECERN Cc1nnc(-c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)n1C ZINC001466196025 1110431587 /nfs/dbraw/zinc/43/15/87/1110431587.db2.gz OSIWESZWPJBNSG-UHFFFAOYSA-N 0 0 338.367 2.383 10 10 EECERN COC(=O)Nc1cc(C(=O)NCc2ccc(O)cc2O)ccc1F ZINC001469162598 1110486354 /nfs/dbraw/zinc/48/63/54/1110486354.db2.gz NKLMVRMNZXZOML-UHFFFAOYSA-N 0 0 334.303 2.345 10 10 EECERN O=C(Cc1cn2ccccc2n1)NCc1ccc2cccnc2c1O ZINC001469251476 1110488045 /nfs/dbraw/zinc/48/80/45/1110488045.db2.gz XKAWMJCHLIZWJC-UHFFFAOYSA-N 0 0 332.363 2.447 10 10 EECERN CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001471975220 1110537074 /nfs/dbraw/zinc/53/70/74/1110537074.db2.gz UNKCFXAUJQYWML-YBEGLDIGSA-N 0 0 328.343 2.325 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C3=NC(=O)C(C)S3)C2)cc1 ZINC001520328593 1119146096 /nfs/dbraw/zinc/14/60/96/1119146096.db2.gz DFNYOAGETHCWRL-LLVKDONJSA-N 0 0 333.413 2.174 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001521852715 1119279849 /nfs/dbraw/zinc/27/98/49/1119279849.db2.gz ZKHMFJSRGNVDMS-MNOVXSKESA-N 0 0 333.306 2.462 10 10 EECERN COc1nccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC001524850063 1120233363 /nfs/dbraw/zinc/23/33/63/1120233363.db2.gz XVIQXXMIWBAHDA-UHFFFAOYSA-N 0 0 346.350 2.447 10 10 EECERN CCOC(=O)N1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001542484299 1124113542 /nfs/dbraw/zinc/11/35/42/1124113542.db2.gz QHGNIPYXMYYUSD-UHFFFAOYSA-N 0 0 347.375 2.153 10 10 EECERN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1N1CCOCC1 ZINC000191433051 237257122 /nfs/dbraw/zinc/25/71/22/237257122.db2.gz BQCFZLDFWFSVRZ-RISCZKNCSA-N 0 0 328.815 2.337 10 10 EECERN CC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](O)C(F)F ZINC000297126635 465246145 /nfs/dbraw/zinc/24/61/45/465246145.db2.gz GTUQVFYGEJQEQC-HUUCEWRRSA-N 0 0 339.386 2.267 10 10 EECERN CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](O)C(F)F ZINC000297224218 465249062 /nfs/dbraw/zinc/24/90/62/465249062.db2.gz XUUMHZGWBOLGDO-LSDHHAIUSA-N 0 0 341.402 2.491 10 10 EECERN COCC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000058279692 463566069 /nfs/dbraw/zinc/56/60/69/463566069.db2.gz BFSKYUVFRRMTIF-LLVKDONJSA-N 0 0 332.322 2.174 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CCN(C(C)=O)C[C@H]2C)cc1 ZINC000268754812 463790016 /nfs/dbraw/zinc/79/00/16/463790016.db2.gz UQFFKIGMQPTAQQ-OAHLLOKOSA-N 0 0 346.475 2.295 10 10 EECERN O=C(NC1CCN(C(=O)c2cccc(O)c2O)CC1)C1CCCCC1 ZINC000187038085 464093209 /nfs/dbraw/zinc/09/32/09/464093209.db2.gz KUVUFAGQCFYLPP-UHFFFAOYSA-N 0 0 346.427 2.399 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000284226542 464116950 /nfs/dbraw/zinc/11/69/50/464116950.db2.gz BIQWVLIKRXRURC-UHFFFAOYSA-N 0 0 343.383 2.410 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000279617685 464117510 /nfs/dbraw/zinc/11/75/10/464117510.db2.gz XSYZWOUOLBEZLI-FQEVSTJZSA-N 0 0 337.423 2.446 10 10 EECERN O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293516280 464409542 /nfs/dbraw/zinc/40/95/42/464409542.db2.gz COAOGHRABAXASN-NSHDSACASA-N 0 0 327.787 2.221 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1ccc(C)o1)cc2=O ZINC000182564736 464684624 /nfs/dbraw/zinc/68/46/24/464684624.db2.gz QAARIKMGHXSZAW-NSHDSACASA-N 0 0 344.371 2.364 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000184333593 464965932 /nfs/dbraw/zinc/96/59/32/464965932.db2.gz LCEPWEIKNJZKPS-CJNGLKHVSA-N 0 0 326.462 2.082 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(N2CCC2)nc1 ZINC000450044005 467767372 /nfs/dbraw/zinc/76/73/72/467767372.db2.gz CHRKBOKQPXCSSV-UHFFFAOYSA-N 0 0 338.411 2.397 10 10 EECERN COc1ccc(CN2CC[C@@H]2CNC(=O)c2cccc(O)c2O)cc1 ZINC000529834808 467917858 /nfs/dbraw/zinc/91/78/58/467917858.db2.gz HIALOVRVVHWURS-CQSZACIVSA-N 0 0 342.395 2.111 10 10 EECERN Cn1cc(-c2c[nH]cc2C(=O)N2C[C@H](CO)Cc3ccccc32)cn1 ZINC000646520964 470669316 /nfs/dbraw/zinc/66/93/16/470669316.db2.gz QACSVVBBGGWXDL-CYBMUJFWSA-N 0 0 336.395 2.227 10 10 EECERN COc1cccc(CNC(=O)C[C@H](NC(C)=O)c2ccccc2)c1O ZINC000729861138 576686099 /nfs/dbraw/zinc/68/60/99/576686099.db2.gz DUZBQXDHTRJWEX-INIZCTEOSA-N 0 0 342.395 2.285 10 10 EECERN Cc1cc(CCNC(=O)[C@@H]2CCN(C)C2=O)c(C)n1-c1ccccc1 ZINC000771951998 577240989 /nfs/dbraw/zinc/24/09/89/577240989.db2.gz JOMZCZDURIAWEB-SFHVURJKSA-N 0 0 339.439 2.231 10 10 EECERN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000772319272 577264150 /nfs/dbraw/zinc/26/41/50/577264150.db2.gz OATOHKRRPOGOLG-RYQLBKOJSA-N 0 0 343.471 2.297 10 10 EECERN COc1cc2c(cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)OCO2 ZINC000773750260 577362656 /nfs/dbraw/zinc/36/26/56/577362656.db2.gz WCDUMCKNPKYEEX-JTQLQIEISA-N 0 0 345.351 2.196 10 10 EECERN C[C@H](NC(=O)CNC(=O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000773991490 577377185 /nfs/dbraw/zinc/37/71/85/577377185.db2.gz BKKQHRATEMGYQJ-LBPRGKRZSA-N 0 0 331.441 2.421 10 10 EECERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC[C@H]1CCOC1 ZINC000761378824 577682930 /nfs/dbraw/zinc/68/29/30/577682930.db2.gz JKZCHZJFNJKADJ-NSHDSACASA-N 0 0 338.791 2.236 10 10 EECERN CC(C)(C)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1O ZINC000754063902 577799554 /nfs/dbraw/zinc/79/95/54/577799554.db2.gz CYLAPWSNLNJBMR-QMTHXVAHSA-N 0 0 349.387 2.159 10 10 EECERN CCN(CC)c1ccc(CN(C)S(=O)(=O)N(C)C2CC2)cc1 ZINC000736324736 578195966 /nfs/dbraw/zinc/19/59/66/578195966.db2.gz GKZABRNLSCVKLJ-UHFFFAOYSA-N 0 0 325.478 2.304 10 10 EECERN CCc1c(C(=O)NCc2cc(Br)ccc2O)cnn1C ZINC000804735252 675609417 /nfs/dbraw/zinc/60/94/17/675609417.db2.gz RSBUMHAAKXMOJU-UHFFFAOYSA-N 0 0 338.205 2.381 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCSCC1 ZINC000065548269 678392786 /nfs/dbraw/zinc/39/27/86/678392786.db2.gz DVARAGHTLXVJJB-UHFFFAOYSA-N 0 0 335.473 2.172 10 10 EECERN CC(C)(C)n1ncnc1CNC(=O)NCc1cccc(Cl)c1O ZINC000894627483 682999369 /nfs/dbraw/zinc/99/93/69/682999369.db2.gz HXNCSCHUVPHIPC-UHFFFAOYSA-N 0 0 337.811 2.392 10 10 EECERN COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(C)cc(OC)c1O ZINC000895403319 684593981 /nfs/dbraw/zinc/59/39/81/684593981.db2.gz SMSHIDIZQPKZSX-ZFWWWQNUSA-N 0 0 337.416 2.157 10 10 EECERN CNC(=O)CC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896788739 685246195 /nfs/dbraw/zinc/24/61/95/685246195.db2.gz KLSAGGHEZBYXFO-UHFFFAOYSA-N 0 0 348.424 2.301 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C ZINC000897520293 690830080 /nfs/dbraw/zinc/83/00/80/690830080.db2.gz DZRAJWQZIAZLKN-WCBMZHEXSA-N 0 0 335.381 2.336 10 10 EECERN O=C(N[C@H]1CCN(CC(F)F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897991870 691847793 /nfs/dbraw/zinc/84/77/93/691847793.db2.gz MRRXROFGZNDFAN-VIFPVBQESA-N 0 0 342.367 2.382 10 10 EECERN CCCN(C)c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001745561529 1182102877 /nfs/dbraw/zinc/10/28/77/1182102877.db2.gz RZEWEUCTTJWMHT-UHFFFAOYSA-N 0 0 329.448 2.318 10 10 EECERN CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001626105299 1195580270 /nfs/dbraw/zinc/58/02/70/1195580270.db2.gz AVEMWRKTPNHJGD-CYBMUJFWSA-N 0 0 332.360 2.407 10 10 EECERN CC/C=C(/F)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000864953984 1198016099 /nfs/dbraw/zinc/01/60/99/1198016099.db2.gz MAKPOFDFBXVKFM-LHSNJOESSA-N 0 0 333.407 2.268 10 10 EECERN CO[C@@H]1CN2C(=O)N(Cc3ccc4c(c3)CCCN4C)C(=O)[C@@]2(C)C1 ZINC000865302651 1198160026 /nfs/dbraw/zinc/16/00/26/1198160026.db2.gz YUHHQALBCNKIDX-HNAYVOBHSA-N 0 0 343.427 2.011 10 10 EECERN CO[C@@H]1CN2C(=O)N(CCCSc3nccs3)C(=O)[C@@]2(C)C1 ZINC000865303508 1198160125 /nfs/dbraw/zinc/16/01/25/1198160125.db2.gz HHAGMLOWTWGTHC-IINYFYTJSA-N 0 0 341.458 2.067 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(CC(C)C)CCNC1=O ZINC000865904916 1198420222 /nfs/dbraw/zinc/42/02/22/1198420222.db2.gz UMZXTLZUWAPTOU-LJQANCHMSA-N 0 0 331.460 2.230 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1nc(C2CC2)no1 ZINC000865994793 1198447778 /nfs/dbraw/zinc/44/77/78/1198447778.db2.gz RNABGYDPIXZALB-UHFFFAOYSA-N 0 0 338.161 2.345 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2nn3c(c2C)OCCC3)c1 ZINC000825736881 1198887875 /nfs/dbraw/zinc/88/78/75/1198887875.db2.gz MHIIQNWAHYUCCV-LLVKDONJSA-N 0 0 331.372 2.179 10 10 EECERN COc1ccc(O[C@H](C)CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001137095673 1199407135 /nfs/dbraw/zinc/40/71/35/1199407135.db2.gz KEGHHJNRTVEQPR-GFCCVEGCSA-N 0 0 331.368 2.233 10 10 EECERN CCOCCNC(=S)NCc1cc(Br)ccc1O ZINC000795155379 1201022112 /nfs/dbraw/zinc/02/21/12/1201022112.db2.gz MUYIFBSPZKFPJM-UHFFFAOYSA-N 0 0 333.251 2.155 10 10 EECERN O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1Cc2cccc(O)c2C1 ZINC000871203096 1201098573 /nfs/dbraw/zinc/09/85/73/1201098573.db2.gz SFMVBXNAJUQZTG-IBGZPJMESA-N 0 0 338.407 2.135 10 10 EECERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201498 1201098721 /nfs/dbraw/zinc/09/87/21/1201098721.db2.gz WDOJAESRVLFMSO-RISCZKNCSA-N 0 0 334.441 2.182 10 10 EECERN C[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000867504529 1201624371 /nfs/dbraw/zinc/62/43/71/1201624371.db2.gz WXZYLSYPDURQOP-HONMWMINSA-N 0 0 346.349 2.276 10 10 EECERN COCCOc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000868060084 1201736345 /nfs/dbraw/zinc/73/63/45/1201736345.db2.gz ZISNQXPANJKYKQ-ZDUSSCGKSA-N 0 0 345.399 2.373 10 10 EECERN O=C(Cc1cnn2c1CCCC2)NCc1ccc2cccnc2c1O ZINC000868936819 1201908849 /nfs/dbraw/zinc/90/88/49/1201908849.db2.gz GDSLPQBXUBYXCD-UHFFFAOYSA-N 0 0 336.395 2.332 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H](C)O[C@@H]3C)C2)cc1 ZINC000868957090 1201912049 /nfs/dbraw/zinc/91/20/49/1201912049.db2.gz WJPKINPKZBZSCA-LUXYFRNMSA-N 0 0 332.444 2.451 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(OC)c1 ZINC000132148938 1202086277 /nfs/dbraw/zinc/08/62/77/1202086277.db2.gz GYQKMJVMICNVFN-DLBZAZTESA-N 0 0 348.443 2.310 10 10 EECERN CC(=O)c1cncc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000889295703 1204602542 /nfs/dbraw/zinc/60/25/42/1204602542.db2.gz NLFLFCBUXPPXLM-UHFFFAOYSA-N 0 0 325.368 2.389 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926641865 1206234381 /nfs/dbraw/zinc/23/43/81/1206234381.db2.gz XWNDRUOZBFZUSQ-NJAFHUGGSA-N 0 0 347.459 2.088 10 10 EECERN O=C(NCc1c(O)cccc1F)C1CCN(C(=O)c2ccoc2)CC1 ZINC000928711966 1206413974 /nfs/dbraw/zinc/41/39/74/1206413974.db2.gz MIXRNYRBMRLFSZ-UHFFFAOYSA-N 0 0 346.358 2.293 10 10 EECERN Cc1c(C(=O)NCc2ccccc2O)nnn1-c1ccc(F)c(F)c1 ZINC001137471446 1248669359 /nfs/dbraw/zinc/66/93/59/1248669359.db2.gz LGKJLZCTBKZVAZ-UHFFFAOYSA-N 0 0 344.321 2.490 10 10 EECERN CNC(=O)C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC000900495412 1234414686 /nfs/dbraw/zinc/41/46/86/1234414686.db2.gz ZAMITBGFJAOZDC-UHFFFAOYSA-N 0 0 334.397 2.101 10 10 EECERN C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)NCCc1ccc(N)cc1 ZINC000851665174 1277709115 /nfs/dbraw/zinc/70/91/15/1277709115.db2.gz SGBHCPMNKAAGDD-ZWNOBZJWSA-N 0 0 331.338 2.173 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CCOCC3)C2)cc1 ZINC000852181074 1292029943 /nfs/dbraw/zinc/02/99/43/1292029943.db2.gz YGAWSYARUZJFFM-HNNXBMFYSA-N 0 0 347.459 2.390 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)ccn3)C2)cc1 ZINC000852448967 1292116954 /nfs/dbraw/zinc/11/69/54/1292116954.db2.gz OSJXHHZBORAPSC-HNNXBMFYSA-N 0 0 340.427 2.477 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](C4CC4)C3)C2)cc1 ZINC000852451992 1292117560 /nfs/dbraw/zinc/11/75/60/1292117560.db2.gz SERUGNXSFSTCCB-MAUKXSAKSA-N 0 0 345.443 2.094 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3ncccc3F)C2)cc1 ZINC000852452521 1292117618 /nfs/dbraw/zinc/11/76/18/1292117618.db2.gz ZICMXXCKTCTKPK-ZDUSSCGKSA-N 0 0 344.390 2.307 10 10 EECERN CCC[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852454520 1292118625 /nfs/dbraw/zinc/11/86/25/1292118625.db2.gz PGZFGGABWPJUHX-YJBOKZPZSA-N 0 0 347.459 2.484 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2nccnc2C1 ZINC000853749399 1292444613 /nfs/dbraw/zinc/44/46/13/1292444613.db2.gz RHYICGZLIPEUJY-UHFFFAOYSA-N 0 0 325.416 2.119 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@@H](C)C(O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000853835292 1292480295 /nfs/dbraw/zinc/48/02/95/1292480295.db2.gz XTHUSSLOSRSYOC-PENFYPDPSA-N 0 0 334.372 2.234 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCSC3)C2)cc1 ZINC000854299722 1292711162 /nfs/dbraw/zinc/71/11/62/1292711162.db2.gz KNWHGCZRMJWNPI-DZGCQCFKSA-N 0 0 335.473 2.421 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[C@@H](O)C3)C2)cc1 ZINC000854300749 1292712583 /nfs/dbraw/zinc/71/25/83/1292712583.db2.gz ZQEWGVYBZPGXOV-HLLBOEOZSA-N 0 0 347.459 2.124 10 10 EECERN CNC(=O)C[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854848586 1292966216 /nfs/dbraw/zinc/96/62/16/1292966216.db2.gz MTOMUYQVCLBQQB-ZDUSSCGKSA-N 0 0 327.428 2.277 10 10 EECERN Cc1cc(CC(=O)N2CCO[C@@H]([C@H](C)O)C2)c(C)n1-c1ccccc1 ZINC000854950593 1292999133 /nfs/dbraw/zinc/99/91/33/1292999133.db2.gz LMVUXZKWWHKKLP-QFBILLFUSA-N 0 0 342.439 2.245 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3nnn(C(C)C)c3C)C2)cc1 ZINC000855225788 1293118637 /nfs/dbraw/zinc/11/86/37/1293118637.db2.gz MDTVJCGCUQNVEB-CQSZACIVSA-N 0 0 343.431 2.185 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)cc1 ZINC000855229109 1293121203 /nfs/dbraw/zinc/12/12/03/1293121203.db2.gz KDRSQSDNMXWXKW-DNVCBOLYSA-N 0 0 338.407 2.394 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)COc3ccc(O)cc3)C2)cc1 ZINC000855232207 1293122212 /nfs/dbraw/zinc/12/22/12/1293122212.db2.gz QZXPMLOHOQJGDA-AWEZNQCLSA-N 0 0 342.395 2.175 10 10 EECERN COC(=O)C1=CC[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000858739697 1294208307 /nfs/dbraw/zinc/20/83/07/1294208307.db2.gz OQWKYIUKULITIA-JQWIXIFHSA-N 0 0 334.372 2.023 10 10 EECERN CCO[C@H](CS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000859006760 1294290275 /nfs/dbraw/zinc/29/02/75/1294290275.db2.gz MOHVQSOOGLQVSL-MEDUHNTESA-N 0 0 343.445 2.196 10 10 EECERN Cc1cc(CC(=O)N2CCC[C@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000862898398 1296005599 /nfs/dbraw/zinc/00/55/99/1296005599.db2.gz VTNXSQIJDOCJMP-KRWDZBQOSA-N 0 0 325.412 2.113 10 10 EECERN C[C@@H](NC(=O)Nc1nccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000797641864 1304794992 /nfs/dbraw/zinc/79/49/92/1304794992.db2.gz WCFGWENVVKRTOA-GFCCVEGCSA-N 0 0 328.420 2.491 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC001119810940 1309216648 /nfs/dbraw/zinc/21/66/48/1309216648.db2.gz VODKJOQEPUDABU-OXJNMPFZSA-N 0 0 343.471 2.374 10 10 EECERN CCc1nnc(CNC(=O)NCCCSc2nccs2)o1 ZINC000838515618 1315172532 /nfs/dbraw/zinc/17/25/32/1315172532.db2.gz YCAIUQWRPPQWBB-UHFFFAOYSA-N 0 0 327.435 2.070 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2CCOC[C@@H]2CC2CCC2)cc1 ZINC000839612945 1315220450 /nfs/dbraw/zinc/22/04/50/1315220450.db2.gz INOAGVCNFROHNI-IBGZPJMESA-N 0 0 345.487 2.260 10 10 EECERN O=C1CN(Cc2cc3c(cc2O)CCC3)CN1CCC(F)(F)F ZINC000840116426 1315299816 /nfs/dbraw/zinc/29/98/16/1315299816.db2.gz WCOMOJKHWAPLRO-UHFFFAOYSA-N 0 0 328.334 2.435 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1ccnn1C ZINC000840255403 1315337368 /nfs/dbraw/zinc/33/73/68/1315337368.db2.gz GCABYDZAPJKWOU-CQSZACIVSA-N 0 0 329.448 2.225 10 10 EECERN Cc1cc(C(=O)COC(=O)CC(N)=O)c(C)n1-c1ccc(C)c(F)c1 ZINC000840496465 1315371592 /nfs/dbraw/zinc/37/15/92/1315371592.db2.gz WDOJWCMABIWJHD-UHFFFAOYSA-N 0 0 346.358 2.143 10 10 EECERN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC(C)(C)C1 ZINC000840538501 1315374985 /nfs/dbraw/zinc/37/49/85/1315374985.db2.gz PJKCMJFMBBULHU-UHFFFAOYSA-N 0 0 340.445 2.414 10 10 EECERN Nc1ccc(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000841295822 1315524289 /nfs/dbraw/zinc/52/42/89/1315524289.db2.gz GVNJKFNZFVYSKF-UHFFFAOYSA-N 0 0 326.404 2.223 10 10 EECERN C[C@@H]1CCCc2nc(S(=O)(=O)N(C)Cc3ccccc3O)cn21 ZINC000841492170 1315564530 /nfs/dbraw/zinc/56/45/30/1315564530.db2.gz CYELUQMELZLFGV-GFCCVEGCSA-N 0 0 335.429 2.307 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1nnc(C2CC2)[nH]1 ZINC001142419156 1315600874 /nfs/dbraw/zinc/60/08/74/1315600874.db2.gz PDICTNPERBFTNV-ZDUSSCGKSA-N 0 0 341.459 2.346 10 10 EECERN CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001151879109 1316601834 /nfs/dbraw/zinc/60/18/34/1316601834.db2.gz MLOKOZYOKFHISP-GFCCVEGCSA-N 0 0 348.424 2.181 10 10 EECERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(O)c1O ZINC001153798417 1316885682 /nfs/dbraw/zinc/88/56/82/1316885682.db2.gz RNONZVCHSCYKMN-UHFFFAOYSA-N 0 0 332.312 2.335 10 10 EECERN Cc1cc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC001263960086 1322571519 /nfs/dbraw/zinc/57/15/19/1322571519.db2.gz DSERSFHSDQCTQW-LZQZEXGQSA-N 0 0 342.439 2.407 10 10 EECERN CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)CC(C)C ZINC001284623881 1326635999 /nfs/dbraw/zinc/63/59/99/1326635999.db2.gz WUBZUYHWRFROPC-UHFFFAOYSA-N 0 0 347.419 2.473 10 10 EECERN Cc1ccn(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(=O)c1 ZINC001290374872 1328188719 /nfs/dbraw/zinc/18/87/19/1328188719.db2.gz PRFUDOARYVZZQM-UHFFFAOYSA-N 0 0 339.439 2.416 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1ncc2cc(Cl)ccn21 ZINC001294909052 1329762815 /nfs/dbraw/zinc/76/28/15/1329762815.db2.gz MYCIBTZDHSEXSX-UHFFFAOYSA-N 0 0 331.759 2.371 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](Cc2ccccc2)C1 ZINC001295782516 1329842816 /nfs/dbraw/zinc/84/28/16/1329842816.db2.gz CDPZBIADGNXEFU-MRXNPFEDSA-N 0 0 327.380 2.110 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001302559242 1331329373 /nfs/dbraw/zinc/32/93/73/1331329373.db2.gz HTCRHCOLPSFNDL-WOLRVDTOSA-N 0 0 339.347 2.261 10 10 EECERN C[C@H]1C[C@H]1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001322249239 1333236229 /nfs/dbraw/zinc/23/62/29/1333236229.db2.gz GDXWANCDSVUIBW-ZFWWWQNUSA-N 0 0 329.444 2.016 10 10 EECERN O=C(c1cccc(O)c1O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001326560579 1334115726 /nfs/dbraw/zinc/11/57/26/1334115726.db2.gz NRFIZVRGBVZKRO-KSSFIOAISA-N 0 0 331.343 2.038 10 10 EECERN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cscn1 ZINC001328420673 1334456765 /nfs/dbraw/zinc/45/67/65/1334456765.db2.gz ORWYDGZUMNUJTN-NWDGAFQWSA-N 0 0 346.456 2.264 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC(C)(C)C1 ZINC001328639598 1334492746 /nfs/dbraw/zinc/49/27/46/1334492746.db2.gz WGJMKMFNRXXIFP-UHFFFAOYSA-N 0 0 331.460 2.406 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3n[nH]c(C)c3C)CC2)cc1 ZINC001336532786 1336559163 /nfs/dbraw/zinc/55/91/63/1336559163.db2.gz XDZRNTCFJUAVQQ-UHFFFAOYSA-N 0 0 328.416 2.388 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]2C2CCCC2)cc1F ZINC001340602906 1337213605 /nfs/dbraw/zinc/21/36/05/1337213605.db2.gz IXHHEGUIZRMQET-INIZCTEOSA-N 0 0 347.434 2.299 10 10 EECERN COC(=O)[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)c1cccnc1 ZINC000849321483 1339152934 /nfs/dbraw/zinc/15/29/34/1339152934.db2.gz GCQFISLGHIPPKL-YJBOKZPZSA-N 0 0 341.411 2.173 10 10 EECERN Cc1ccn2ncc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2c1 ZINC001611432187 1352300589 /nfs/dbraw/zinc/30/05/89/1352300589.db2.gz XJRJYYXZWKMFBU-LBPRGKRZSA-N 0 0 325.368 2.415 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(N2CCCC2=O)cc1 ZINC001558534414 1342480841 /nfs/dbraw/zinc/48/08/41/1342480841.db2.gz PCZLBYOHPORZSD-UHFFFAOYSA-N 0 0 326.352 2.155 10 10 EECERN C[C@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001595667619 1349890887 /nfs/dbraw/zinc/89/08/87/1349890887.db2.gz PZWCNUJHINHJSJ-JTQLQIEISA-N 0 0 326.360 2.407 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(CCc2cccs2)CC1 ZINC001597565267 1349927617 /nfs/dbraw/zinc/92/76/17/1349927617.db2.gz LOYBBBXWXXJARX-UHFFFAOYSA-N 0 0 346.452 2.089 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001624953918 1352435663 /nfs/dbraw/zinc/43/56/63/1352435663.db2.gz BSUAMWOVGSBMRS-SNVBAGLBSA-N 0 0 348.330 2.435 10 10 EECERN COC(=O)COc1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001632250105 1352595125 /nfs/dbraw/zinc/59/51/25/1352595125.db2.gz JSIKHHFNVFKTJI-LBPRGKRZSA-N 0 0 329.352 2.435 10 10 EECERN Cc1cc(C(=O)Nc2cnc3c(c2)CNC3=O)c(C)n1-c1ccccn1 ZINC001637257549 1352675839 /nfs/dbraw/zinc/67/58/39/1352675839.db2.gz RSGYYQPGMUBCGA-UHFFFAOYSA-N 0 0 347.378 2.380 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CCN(c2ccccc2F)C1 ZINC001644754494 1352768974 /nfs/dbraw/zinc/76/89/74/1352768974.db2.gz YWCXYIQENCIOGL-LBPRGKRZSA-N 0 0 330.359 2.380 10 10 EECERN C/C=C(/C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001681553274 1358028992 /nfs/dbraw/zinc/02/89/92/1358028992.db2.gz YEPSBUJRZULCSX-CUOXCHRPSA-N 0 0 349.431 2.078 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)N1CCC12CCCC2 ZINC000846731203 790474755 /nfs/dbraw/zinc/47/47/55/790474755.db2.gz LHFKDAUKSNLTPY-UHFFFAOYSA-N 0 0 339.486 2.287 10 10 EECERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000906419143 783909317 /nfs/dbraw/zinc/90/93/17/783909317.db2.gz HREWDSCBHIABDH-DTTOXWODSA-N 0 0 332.444 2.371 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC[C@H](O)CC23CCC3)cc1F ZINC000817775593 784957536 /nfs/dbraw/zinc/95/75/36/784957536.db2.gz SPYFEULKBUIBNV-AWEZNQCLSA-N 0 0 335.423 2.481 10 10 EECERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)Cc1ccc(O)c(O)c1 ZINC001146214651 791118652 /nfs/dbraw/zinc/11/86/52/791118652.db2.gz VHXIRVPPPICDEQ-DGCLKSJQSA-N 0 0 335.400 2.362 10 10 EECERN COc1ccc(N2CC[C@H](CNc3nc(C)nc(N(C)C)n3)C2)cc1 ZINC000819936331 785731799 /nfs/dbraw/zinc/73/17/99/785731799.db2.gz RRODFIJOVDCQPM-CQSZACIVSA-N 0 0 342.447 2.193 10 10 EECERN COC(=O)C=Cc1ccc(N2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000820580883 785984171 /nfs/dbraw/zinc/98/41/71/785984171.db2.gz GBRFHNAMLQFXOF-HYXAFXHYSA-N 0 0 328.328 2.067 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)C(F)(F)F)cc2=O ZINC000585116429 786472538 /nfs/dbraw/zinc/47/25/38/786472538.db2.gz VAUFZROAUHYFFR-UHFFFAOYSA-N 0 0 346.309 2.042 10 10 EECERN Cc1cc(C(=O)N(C)C2CS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000913146024 788667512 /nfs/dbraw/zinc/66/75/12/788667512.db2.gz IGXDPGXIHYDGGT-UHFFFAOYSA-N 0 0 346.452 2.272 10 10 EECERN COc1cc2c(c(OC)c1)N(C[C@@H]1CN(C3CC3)C(=O)O1)CCC2 ZINC000844341366 789013787 /nfs/dbraw/zinc/01/37/87/789013787.db2.gz KABVIVUCFZVEGS-OAHLLOKOSA-N 0 0 332.400 2.440 10 10 EECERN CCC[C@H](O)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000923185949 789082220 /nfs/dbraw/zinc/08/22/20/789082220.db2.gz GTUFWBZYNWXNEG-HOCLYGCPSA-N 0 0 335.448 2.124 10 10 EECERN COCc1ccnc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000844839297 789422029 /nfs/dbraw/zinc/42/20/29/789422029.db2.gz WQJHUMVNXZLHKR-LLVKDONJSA-N 0 0 331.372 2.392 10 10 EECERN C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)cc(F)c1[O-] ZINC000846189898 790083652 /nfs/dbraw/zinc/08/36/52/790083652.db2.gz MXFDZSYMKPRMDP-ACLDMZEESA-N 0 0 331.185 2.208 10 10 EECERN C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000846193514 790086031 /nfs/dbraw/zinc/08/60/31/790086031.db2.gz MSFKFZAAJXNGCK-XPTSAGLGSA-N 0 0 348.212 2.486 10 10 EECERN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC001148234287 792269851 /nfs/dbraw/zinc/26/98/51/792269851.db2.gz ZBJQYCFZXWCOBH-FBIMIBRVSA-N 0 0 346.408 2.052 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000921764962 795807711 /nfs/dbraw/zinc/80/77/11/795807711.db2.gz YKYACXAJOFIOTO-LBPRGKRZSA-N 0 0 349.406 2.264 10 10 EECERN Cn1nnc2c1C[C@@H](C(=O)NCc1c(O)ccc3ccccc31)CC2 ZINC000952995094 796138409 /nfs/dbraw/zinc/13/84/09/796138409.db2.gz CRRLMFSKRBNJCE-ZDUSSCGKSA-N 0 0 336.395 2.095 10 10 EECERN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc([S@@](C)=O)cc1 ZINC001183135227 801491188 /nfs/dbraw/zinc/49/11/88/801491188.db2.gz JAURFLAWGPJFIH-XQHREBAHSA-N 0 0 337.372 2.465 10 10 EECERN COC(=O)c1cnc(N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001184711523 802142277 /nfs/dbraw/zinc/14/22/77/802142277.db2.gz VELIAOQKXSWAEU-UHFFFAOYSA-N 0 0 326.400 2.500 10 10 EECERN COc1ccc(N2CCCN(c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001184965530 802270511 /nfs/dbraw/zinc/27/05/11/802270511.db2.gz LCBZJVGWANPAJN-UHFFFAOYSA-N 0 0 331.376 2.054 10 10 EECERN O=C(NC1CCCCC1)c1c2n(c(=O)cc1-c1cncnc1)CCC2 ZINC000581819439 803112837 /nfs/dbraw/zinc/11/28/37/803112837.db2.gz MSMDFHUKFSMVBM-UHFFFAOYSA-N 0 0 338.411 2.314 10 10 EECERN Cc1cc(C(=O)CN2CCNC(=O)CC2)c(C)n1-c1ccccc1C ZINC000103470620 804221809 /nfs/dbraw/zinc/22/18/09/804221809.db2.gz RAOQLVVSVMPIDJ-UHFFFAOYSA-N 0 0 339.439 2.407 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000789997076 808325099 /nfs/dbraw/zinc/32/50/99/808325099.db2.gz YGHPJVPUAZVDAG-AWEZNQCLSA-N 0 0 333.315 2.156 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3nccc(C)n3)CC2)cc1 ZINC000791535511 809288039 /nfs/dbraw/zinc/28/80/39/809288039.db2.gz YFUNZXNWYILGCY-UHFFFAOYSA-N 0 0 326.400 2.146 10 10 EECERN COc1nccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001129973826 811055229 /nfs/dbraw/zinc/05/52/29/811055229.db2.gz LXHIHWMCSBBOQG-CYBMUJFWSA-N 0 0 328.416 2.221 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)CO[C@H](C)c2nccn2C)c1 ZINC000806793505 811992463 /nfs/dbraw/zinc/99/24/63/811992463.db2.gz RPPXYQXXEBDPQA-NWDGAFQWSA-N 0 0 333.388 2.089 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000808542959 812712259 /nfs/dbraw/zinc/71/22/59/812712259.db2.gz LKWJFDMUYWENGA-SFHVURJKSA-N 0 0 349.383 2.128 10 10 EECERN COc1cccc(CNC(=O)Cc2nn(C)c3ccccc23)c1O ZINC001445971070 1091925789 /nfs/dbraw/zinc/92/57/89/1091925789.db2.gz ROECQHRZMVSYSM-UHFFFAOYSA-N 0 0 325.368 2.146 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N3NC(=O)C[C@H]3C)ccc21 ZINC001440963514 1094220688 /nfs/dbraw/zinc/22/06/88/1094220688.db2.gz LERVUNRUYHRKEH-LLVKDONJSA-N 0 0 329.400 2.170 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC001450689175 1095071115 /nfs/dbraw/zinc/07/11/15/1095071115.db2.gz RBUOFKMEQQTKQY-OAHLLOKOSA-N 0 0 331.368 2.441 10 10 EECERN CCCCN(C)C(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001441807623 1095839653 /nfs/dbraw/zinc/83/96/53/1095839653.db2.gz RAJFDMOWVYEWKT-UHFFFAOYSA-N 0 0 348.443 2.137 10 10 EECERN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001465211767 1110413031 /nfs/dbraw/zinc/41/30/31/1110413031.db2.gz UEBRFQUCGRZORK-OAHLLOKOSA-N 0 0 340.423 2.373 10 10 EECERN COc1cc(OC)c(C(=O)NCc2cccc(OC)c2O)cc1C=O ZINC001465993072 1110427881 /nfs/dbraw/zinc/42/78/81/1110427881.db2.gz NGXKVGZXHFKCHX-UHFFFAOYSA-N 0 0 345.351 2.161 10 10 EECERN COc1n[nH]c(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001466101890 1110429977 /nfs/dbraw/zinc/42/99/77/1110429977.db2.gz UYGWXSPPYUNWGO-UHFFFAOYSA-N 0 0 325.372 2.402 10 10 EECERN C[C@H](C(=O)N1Cc2cccc(O)c2C1)S(=O)(=O)c1ccc(F)cc1 ZINC001471355836 1110521384 /nfs/dbraw/zinc/52/13/84/1110521384.db2.gz XFVLDUOFJAGZTO-LLVKDONJSA-N 0 0 349.383 2.236 10 10 EECERN O=C(Cc1ccc2c(c1)NC(=O)C2)NCc1cccc(Cl)c1O ZINC001472317145 1110551592 /nfs/dbraw/zinc/55/15/92/1110551592.db2.gz XFLBBPLRHFKIQA-UHFFFAOYSA-N 0 0 330.771 2.399 10 10 EECERN CC[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1 ZINC001515726163 1118983227 /nfs/dbraw/zinc/98/32/27/1118983227.db2.gz POEIFLYKIVTNKK-DZGCQCFKSA-N 0 0 346.431 2.100 10 10 EECERN CC[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001524116284 1119985454 /nfs/dbraw/zinc/98/54/54/1119985454.db2.gz NCXOTDBIFAQQSS-FZMZJTMJSA-N 0 0 345.403 2.226 10 10 EECERN CN(C)c1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cc1F ZINC000371740746 529781629 /nfs/dbraw/zinc/78/16/29/529781629.db2.gz VMFAZUQRTCUQKU-VMZNBEPHSA-N 0 0 335.423 2.194 10 10 EECERN O=C1CN(c2ccc(CNc3ccccc3[N+](=O)[O-])cc2F)CCN1 ZINC000095396574 218329097 /nfs/dbraw/zinc/32/90/97/218329097.db2.gz FZCXVBRDPCJNIA-UHFFFAOYSA-N 0 0 344.346 2.282 10 10 EECERN CCn1nnc(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000297912436 465274360 /nfs/dbraw/zinc/27/43/60/465274360.db2.gz PTPVKTMZZMDZLX-UHFFFAOYSA-N 0 0 327.432 2.477 10 10 EECERN COC(=O)N[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(C)C ZINC000075159695 462689145 /nfs/dbraw/zinc/68/91/45/462689145.db2.gz CAHODLQVIGLBSA-MRXNPFEDSA-N 0 0 334.416 2.268 10 10 EECERN CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CC(F)F ZINC000129259054 462697294 /nfs/dbraw/zinc/69/72/94/462697294.db2.gz ZHMNFFJWZDENLR-LBPRGKRZSA-N 0 0 328.359 2.282 10 10 EECERN COc1cccc(-n2c(C)cc(C(=O)NC(C)(C)C(N)=O)c2C)c1 ZINC000057256094 463471183 /nfs/dbraw/zinc/47/11/83/463471183.db2.gz OMEZBSPXOIKPIX-UHFFFAOYSA-N 0 0 329.400 2.096 10 10 EECERN Nc1ccc(CC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1 ZINC000162177771 463490515 /nfs/dbraw/zinc/49/05/15/463490515.db2.gz CHFSLHYADDKWTJ-HNNXBMFYSA-N 0 0 345.349 2.011 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278688266 463975722 /nfs/dbraw/zinc/97/57/22/463975722.db2.gz SAVIDEBFLWUGSB-GOSISDBHSA-N 0 0 341.459 2.271 10 10 EECERN CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000283916264 464040476 /nfs/dbraw/zinc/04/04/76/464040476.db2.gz INWPBIYYFFHOID-DGCLKSJQSA-N 0 0 346.811 2.201 10 10 EECERN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000284310316 464145457 /nfs/dbraw/zinc/14/54/57/464145457.db2.gz LGWGUJGQUVDRQW-FIXISWKDSA-N 0 0 326.393 2.109 10 10 EECERN CC(=O)N(C)c1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000280225370 464194519 /nfs/dbraw/zinc/19/45/19/464194519.db2.gz LQUHGMDETFXEHV-GFCCVEGCSA-N 0 0 342.395 2.442 10 10 EECERN Cc1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)c(O)c1O ZINC000188780735 464368254 /nfs/dbraw/zinc/36/82/54/464368254.db2.gz WBPKKHXJPGREKA-LLVKDONJSA-N 0 0 330.388 2.338 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccnc1-n1ccnc1 ZINC000180908717 464418787 /nfs/dbraw/zinc/41/87/87/464418787.db2.gz KVPKFAOGJBPJGC-GQCTYLIASA-N 0 0 336.351 2.008 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCC(=O)NC2)cc1F ZINC000281373249 464431414 /nfs/dbraw/zinc/43/14/14/464431414.db2.gz VQRUDGKEKNEVIU-SFHVURJKSA-N 0 0 335.423 2.204 10 10 EECERN CN1CCCc2cc(CNS(=O)(=O)c3ccccc3N)ccc21 ZINC000274329801 464741654 /nfs/dbraw/zinc/74/16/54/464741654.db2.gz IOSHCJUXUSONDJ-UHFFFAOYSA-N 0 0 331.441 2.130 10 10 EECERN CO[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[C@H]1C ZINC000275790558 464788777 /nfs/dbraw/zinc/78/87/77/464788777.db2.gz AVMHZHDYZMETOO-QAPCUYQASA-N 0 0 347.459 2.090 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@](C)(C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000268325152 465016864 /nfs/dbraw/zinc/01/68/64/465016864.db2.gz OAODSKDDMQXDAJ-UABRLCRWSA-N 0 0 348.355 2.170 10 10 EECERN COc1cccc(F)c1N1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000408515120 466672172 /nfs/dbraw/zinc/67/21/72/466672172.db2.gz JKJXQNNKVNYZPV-UHFFFAOYSA-N 0 0 346.358 2.208 10 10 EECERN COc1ccc(CNC(=O)[C@@H]2CCCN2c2nccs2)c(O)c1 ZINC000373606948 466865861 /nfs/dbraw/zinc/86/58/61/466865861.db2.gz DCCSIBPAQZPYAS-ZDUSSCGKSA-N 0 0 333.413 2.143 10 10 EECERN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1nnc2n1CCCCC2 ZINC000360203857 533911179 /nfs/dbraw/zinc/91/11/79/533911179.db2.gz VSKWOHKYDIVLNX-NSHDSACASA-N 0 0 331.376 2.469 10 10 EECERN COc1ccc(N2CCC(NC(=O)Nc3nncs3)CC2)cc1 ZINC000726609108 576279942 /nfs/dbraw/zinc/27/99/42/576279942.db2.gz KTKIBWVPSKGEKZ-UHFFFAOYSA-N 0 0 333.417 2.337 10 10 EECERN COCC1(C)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000773259060 577327810 /nfs/dbraw/zinc/32/78/10/577327810.db2.gz JJGOVDFPTQITAB-UHFFFAOYSA-N 0 0 335.360 2.179 10 10 EECERN COc1ccc(N2CCCN(Cc3nnnn3C(C)(C)C)CC2)cc1 ZINC000766109353 577513142 /nfs/dbraw/zinc/51/31/42/577513142.db2.gz NCMFFTQVUSMRLQ-UHFFFAOYSA-N 0 0 344.463 2.149 10 10 EECERN Cc1ccc(NC(=O)NCc2ccccc2O)cc1S(C)(=O)=O ZINC000759997431 577655662 /nfs/dbraw/zinc/65/56/62/577655662.db2.gz GNDTUAXUIGRWSX-UHFFFAOYSA-N 0 0 334.397 2.426 10 10 EECERN CCOC(=O)[C@H](Cc1ccccn1)NCc1cccc(OC)c1O ZINC000763480500 577721745 /nfs/dbraw/zinc/72/17/45/577721745.db2.gz NKBYCWHTJIOSLX-HNNXBMFYSA-N 0 0 330.384 2.060 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)[C@H]2CCCC[C@@H]21 ZINC000754007475 577798476 /nfs/dbraw/zinc/79/84/76/577798476.db2.gz CHAFRWBTINVUDF-WMZOPIPTSA-N 0 0 335.469 2.423 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@@H](O)C3CCOCC3)cc2)CC1 ZINC000746237117 577924467 /nfs/dbraw/zinc/92/44/67/577924467.db2.gz IZBRQEJLERLQDA-IBGZPJMESA-N 0 0 346.471 2.327 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC000735490143 578155454 /nfs/dbraw/zinc/15/54/54/578155454.db2.gz NOISGVZPXIXYRM-GQCTYLIASA-N 0 0 328.328 2.207 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CN(CC(F)F)C1 ZINC000840556377 679134927 /nfs/dbraw/zinc/13/49/27/679134927.db2.gz VOFUYMJOYUHVBW-CYBMUJFWSA-N 0 0 339.430 2.305 10 10 EECERN O=C(NCCc1csc(N2CCCC2)n1)c1cccc(O)c1O ZINC000187095981 684570280 /nfs/dbraw/zinc/57/02/80/684570280.db2.gz RPTSKVUUIXOTMU-UHFFFAOYSA-N 0 0 333.413 2.127 10 10 EECERN COc1cc(Cl)cc(CNCc2n[nH]c(CSC)n2)c1O ZINC000895818046 684735473 /nfs/dbraw/zinc/73/54/73/684735473.db2.gz NYPLBCSGYWGVLQ-UHFFFAOYSA-N 0 0 328.825 2.325 10 10 EECERN O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896428973 684980494 /nfs/dbraw/zinc/98/04/94/684980494.db2.gz JCMFDCPOTJROTK-LLVKDONJSA-N 0 0 346.408 2.196 10 10 EECERN CCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896994613 686032381 /nfs/dbraw/zinc/03/23/81/686032381.db2.gz DZOCQMXJWNMLGR-SNVBAGLBSA-N 0 0 334.397 2.053 10 10 EECERN COc1cccc(CN(C)Cc2nc(-c3cccnc3)no2)c1O ZINC000093382806 692375007 /nfs/dbraw/zinc/37/50/07/692375007.db2.gz KAFWAQRADXRRKV-UHFFFAOYSA-N 0 0 326.356 2.478 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000898720396 693427615 /nfs/dbraw/zinc/42/76/15/693427615.db2.gz IVQYEPQXGDXXHY-ONGXEEELSA-N 0 0 346.408 2.053 10 10 EECERN COC(=O)C1=CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899131192 693624042 /nfs/dbraw/zinc/62/40/42/693624042.db2.gz NYCNEVLJUKFKBX-SNVBAGLBSA-N 0 0 333.365 2.304 10 10 EECERN CC(C)(C)C[C@@H]1CCCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842236276 1188573011 /nfs/dbraw/zinc/57/30/11/1188573011.db2.gz NNUWITIPVHGHDO-INIZCTEOSA-N 0 0 331.460 2.355 10 10 EECERN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[C@H](C)O1 ZINC000864633678 1197855121 /nfs/dbraw/zinc/85/51/21/1197855121.db2.gz BKWQXJCERSYASW-VKJFTORMSA-N 0 0 332.444 2.295 10 10 EECERN COC(=O)c1ccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000864632874 1197855653 /nfs/dbraw/zinc/85/56/53/1197855653.db2.gz SRXPPFZVBPXFIB-UHFFFAOYSA-N 0 0 341.411 2.135 10 10 EECERN CN(C)c1ccc(CN2C(=O)N[C@H](Cc3cncs3)C2=O)cc1F ZINC000871892682 1197956344 /nfs/dbraw/zinc/95/63/44/1197956344.db2.gz PYQKOTSVVRLEDN-CYBMUJFWSA-N 0 0 348.403 2.011 10 10 EECERN CC(C)C[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCNC1=O ZINC000864862368 1197971028 /nfs/dbraw/zinc/97/10/28/1197971028.db2.gz KBMOFVSSPGIALB-HXUWFJFHSA-N 0 0 343.471 2.455 10 10 EECERN COC(=O)c1cc(OCCc2ccc(C(N)=O)cc2)ccc1N(C)C ZINC000865395478 1198194961 /nfs/dbraw/zinc/19/49/61/1198194961.db2.gz RLHQBFVDPMUWBG-UHFFFAOYSA-N 0 0 342.395 2.260 10 10 EECERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)O1 ZINC000865953011 1198435890 /nfs/dbraw/zinc/43/58/90/1198435890.db2.gz ANXDBDDOQJRNDX-ZRGWGRIASA-N 0 0 346.471 2.325 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3nc([C@@H]4C[C@@H]4C)no3)C2)cc1 ZINC000866018639 1198456312 /nfs/dbraw/zinc/45/63/12/1198456312.db2.gz LZPGCNLKBYQJEK-SLEUVZQESA-N 0 0 342.399 2.210 10 10 EECERN COC[C@@H]1CCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000814364600 1199446509 /nfs/dbraw/zinc/44/65/09/1199446509.db2.gz INXQSMJCRZZKAA-YOEHRIQHSA-N 0 0 333.432 2.015 10 10 EECERN CC(=O)c1cc(F)cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000879339899 1201009796 /nfs/dbraw/zinc/00/97/96/1201009796.db2.gz DXKOSDDCMZJRRB-GXFFZTMASA-N 0 0 335.297 2.337 10 10 EECERN CC(C)OCCONC(=O)NCc1cc(Br)ccc1O ZINC000812953948 1201025141 /nfs/dbraw/zinc/02/51/41/1201025141.db2.gz RTSIJCTWXWQPEX-UHFFFAOYSA-N 0 0 347.209 2.311 10 10 EECERN CCO[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000866762945 1201600229 /nfs/dbraw/zinc/60/02/29/1201600229.db2.gz AMKZBFXCUBWSSS-SJCJKPOMSA-N 0 0 337.416 2.410 10 10 EECERN O=S(=O)(c1ccc2c(c1)OCCCO2)N1Cc2cccc(O)c2C1 ZINC000867689188 1201659760 /nfs/dbraw/zinc/65/97/60/1201659760.db2.gz JBCWKOSJLVOUTO-UHFFFAOYSA-N 0 0 347.392 2.258 10 10 EECERN O=S(=O)(CCCC1CCOCC1)N1Cc2cccc(O)c2C1 ZINC000867691487 1201659921 /nfs/dbraw/zinc/65/99/21/1201659921.db2.gz XNQHQNHEJGGLTG-UHFFFAOYSA-N 0 0 325.430 2.244 10 10 EECERN Cc1cc(C(=O)NCC[C@H](C)[S@@](C)=O)c(C)n1-c1ccccn1 ZINC000134764108 1202323746 /nfs/dbraw/zinc/32/37/46/1202323746.db2.gz CTPWVGNXNNUKTC-NPMABZOXSA-N 0 0 333.457 2.376 10 10 EECERN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1F ZINC000778625278 1208308149 /nfs/dbraw/zinc/30/81/49/1208308149.db2.gz SSECYGPIXIYQDS-PBHICJAKSA-N 0 0 335.423 2.413 10 10 EECERN CCC1(CC)CN(Cc2cc(OC)ccc2O)CCS1(=O)=O ZINC000779225039 1209412625 /nfs/dbraw/zinc/41/26/25/1209412625.db2.gz KYRPREMSVOMKSQ-UHFFFAOYSA-N 0 0 327.446 2.190 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)C[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000091629709 1213990151 /nfs/dbraw/zinc/99/01/51/1213990151.db2.gz RUEIKOKIVNYCAW-FUEXJSSKSA-N 0 0 348.277 2.140 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)C[C@H](OC)C2CC2)cc1 ZINC000827012582 1249140744 /nfs/dbraw/zinc/14/07/44/1249140744.db2.gz BORKGRIYGRUVKL-KRWDZBQOSA-N 0 0 340.489 2.377 10 10 EECERN O=C(c1nnc(C2CC2)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000901178374 1235325842 /nfs/dbraw/zinc/32/58/42/1235325842.db2.gz WHJDCMJKIURWIL-AWEZNQCLSA-N 0 0 343.383 2.474 10 10 EECERN CCS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2O)c(N)c1 ZINC001137345626 1250258085 /nfs/dbraw/zinc/25/80/85/1250258085.db2.gz PUJNGJZGDPOAEC-UHFFFAOYSA-N 0 0 348.424 2.040 10 10 EECERN C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850563509 1277267090 /nfs/dbraw/zinc/26/70/90/1277267090.db2.gz ZCLJRSHJALVKDV-TZMCWYRMSA-N 0 0 348.403 2.241 10 10 EECERN COC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000852140315 1292010121 /nfs/dbraw/zinc/01/01/21/1292010121.db2.gz HSXVMZVMITYSPJ-PBHICJAKSA-N 0 0 335.448 2.244 10 10 EECERN CCC[C@H](C)[C@@H](CO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852448984 1292116921 /nfs/dbraw/zinc/11/69/21/1292116921.db2.gz OZMUDVHZMIEOTQ-HDMKZQKVSA-N 0 0 349.475 2.370 10 10 EECERN Cc1cc(CC(=O)N2C[C@@H](C)CS2(=O)=O)c(C)n1-c1ccccc1 ZINC000853128390 1292291354 /nfs/dbraw/zinc/29/13/54/1292291354.db2.gz SBOCKOMTBGUGMS-CYBMUJFWSA-N 0 0 346.452 2.445 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@@H](C)C(=O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000853819889 1292471332 /nfs/dbraw/zinc/47/13/32/1292471332.db2.gz DLJVOFCHJDRHKD-ONYUAGEFSA-N 0 0 332.356 2.442 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCC3(CO)CCC3)C2)cc1 ZINC000854296538 1292708426 /nfs/dbraw/zinc/70/84/26/1292708426.db2.gz JQMNFHPVVZPLME-OAHLLOKOSA-N 0 0 347.459 2.126 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H]3C[C@@H](OC)C3)C2)cc1 ZINC000854298272 1292709826 /nfs/dbraw/zinc/70/98/26/1292709826.db2.gz ZGJGAPGDMNZFMB-UNEWFSDZSA-N 0 0 333.432 2.093 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3C(C)(C)O)C2)cc1 ZINC000854299721 1292710960 /nfs/dbraw/zinc/71/09/60/1292710960.db2.gz RCSFFXNXVMBAMF-YOEHRIQHSA-N 0 0 347.459 2.219 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)COCc1nccn1C ZINC000854949001 1292998846 /nfs/dbraw/zinc/99/88/46/1292998846.db2.gz RCTRICBVHHAEHJ-HNNXBMFYSA-N 0 0 344.459 2.059 10 10 EECERN Cc1cc(CC(=O)NCC[C@@]2(O)CCOC2)c(C)n1-c1ccccc1 ZINC000855020719 1293035876 /nfs/dbraw/zinc/03/58/76/1293035876.db2.gz VUEUPSKZBWXSRS-HXUWFJFHSA-N 0 0 342.439 2.294 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc4c([nH]3)CCOC4)C2)cc1 ZINC000855226309 1293118368 /nfs/dbraw/zinc/11/83/68/1293118368.db2.gz RBCFPJKFHRHIOX-CQSZACIVSA-N 0 0 341.411 2.105 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccnc(C4CC4)n3)C2)cc1 ZINC000855229933 1293120928 /nfs/dbraw/zinc/12/09/28/1293120928.db2.gz CXZRYDREPBOLHG-CQSZACIVSA-N 0 0 338.411 2.371 10 10 EECERN CC(=O)C(=O)COC(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000856974417 1293684744 /nfs/dbraw/zinc/68/47/44/1293684744.db2.gz WAVGRVNRCLQRBH-ZDUSSCGKSA-N 0 0 341.404 2.115 10 10 EECERN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2cc(C)ccc2O)C1 ZINC000858368493 1294097389 /nfs/dbraw/zinc/09/73/89/1294097389.db2.gz BLFGVWCAMQJUDU-KBPBESRZSA-N 0 0 349.431 2.367 10 10 EECERN COc1ccc(N2CCC(NC(=O)COCC(F)F)CC2)cc1 ZINC000859097337 1294317206 /nfs/dbraw/zinc/31/72/06/1294317206.db2.gz NUHKXJYLVFRFNB-UHFFFAOYSA-N 0 0 328.359 2.062 10 10 EECERN Cc1cc(C)c2c(N)c(C(=O)OCCc3cn(C)nn3)sc2n1 ZINC000859474762 1294449625 /nfs/dbraw/zinc/44/96/25/1294449625.db2.gz HKZMTHZWRJPYIU-UHFFFAOYSA-N 0 0 331.401 2.023 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cnn(CCF)c3)C2)cc1 ZINC000861476002 1295418098 /nfs/dbraw/zinc/41/80/98/1295418098.db2.gz HPTSRJZBWJRIDY-CYBMUJFWSA-N 0 0 347.394 2.262 10 10 EECERN Cc1cccc2c1C[C@@H](NC(=O)NCCc1ccc(N)cc1)CO2 ZINC000861640404 1295485594 /nfs/dbraw/zinc/48/55/94/1295485594.db2.gz KPWAVFQTWUTPFR-MRXNPFEDSA-N 0 0 325.412 2.423 10 10 EECERN CCOc1cccc(CN[C@H](C[C@@H]2CCCOC2)C(=O)OC)c1O ZINC000862516727 1295864499 /nfs/dbraw/zinc/86/44/99/1295864499.db2.gz XUOLHCJWVMCVCU-DZGCQCFKSA-N 0 0 337.416 2.239 10 10 EECERN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1O ZINC000797819291 1304844551 /nfs/dbraw/zinc/84/45/51/1304844551.db2.gz DIOMHHDDIHLDGW-UHFFFAOYSA-N 0 0 338.341 2.418 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(c2ccco2)CC1 ZINC001118439615 1308858017 /nfs/dbraw/zinc/85/80/17/1308858017.db2.gz SLOGDZVHFTVGGM-UHFFFAOYSA-N 0 0 342.395 2.350 10 10 EECERN COc1ccnc(N2CCN(Cc3c(O)cc(C)cc3Cl)CC2)n1 ZINC000840910703 1315433711 /nfs/dbraw/zinc/43/37/11/1315433711.db2.gz QHFXNBPDLRGFKX-UHFFFAOYSA-N 0 0 348.834 2.475 10 10 EECERN COCCOc1ncccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841104458 1315476496 /nfs/dbraw/zinc/47/64/96/1315476496.db2.gz RBYCYCJDKRFALF-UHFFFAOYSA-N 0 0 330.388 2.053 10 10 EECERN COC(=O)c1ccnc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000841382588 1315542492 /nfs/dbraw/zinc/54/24/92/1315542492.db2.gz VHDCZWLJTPRNRS-UHFFFAOYSA-N 0 0 339.395 2.398 10 10 EECERN C[C@@]1(F)CNCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000841853067 1315623582 /nfs/dbraw/zinc/62/35/82/1315623582.db2.gz VVZSDSOADKAHPK-QGZVFWFLSA-N 0 0 348.447 2.090 10 10 EECERN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)NCCc1ccc(N)cc1)C[C@H](C)O2 ZINC000841957884 1315643903 /nfs/dbraw/zinc/64/39/03/1315643903.db2.gz FFWBRPQNNCNRRX-VCBZYWHSSA-N 0 0 347.459 2.179 10 10 EECERN Nc1ccc(CCNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000841960606 1315644855 /nfs/dbraw/zinc/64/48/55/1315644855.db2.gz UHUUFXMUCMVUKE-SFHVURJKSA-N 0 0 341.411 2.300 10 10 EECERN CCc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000842587289 1315727137 /nfs/dbraw/zinc/72/71/37/1315727137.db2.gz BYMDQQNRNAMRIK-INIZCTEOSA-N 0 0 343.445 2.138 10 10 EECERN COc1ccc(N2CC[C@H](COC(=O)Cc3ccnn3C)C2)cc1 ZINC000842875624 1315789210 /nfs/dbraw/zinc/78/92/10/1315789210.db2.gz NFRYTGYLBHLKKB-AWEZNQCLSA-N 0 0 329.400 2.041 10 10 EECERN CCN(CC)c1ccc(CN[C@H](C(=O)OC)c2ccnn2C)cc1F ZINC000843429869 1315913701 /nfs/dbraw/zinc/91/37/01/1315913701.db2.gz KNJLQOZVLRYVRA-KRWDZBQOSA-N 0 0 348.422 2.409 10 10 EECERN Cc1cc(C(=O)NCc2cccc(O)c2O)cnc1Br ZINC001153797887 1316885737 /nfs/dbraw/zinc/88/57/37/1316885737.db2.gz HFKRLEWXHCKJAH-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC001294868171 1329175423 /nfs/dbraw/zinc/17/54/23/1329175423.db2.gz ABSQQZZTSMAJOG-HDJSIYSDSA-N 0 0 342.399 2.175 10 10 EECERN CC(C)CC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285579194 1327059783 /nfs/dbraw/zinc/05/97/83/1327059783.db2.gz QUYUGWZRKHWSEA-GFCCVEGCSA-N 0 0 347.419 2.472 10 10 EECERN CCc1nnc(N(C)C2CC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001292809678 1328514657 /nfs/dbraw/zinc/51/46/57/1328514657.db2.gz YIHOBRITIBWGLL-UHFFFAOYSA-N 0 0 341.459 2.324 10 10 EECERN Cc1cc(C)n2ccc(C(=O)NCCc3ccc(O)c(O)c3)c2n1 ZINC001294912753 1329763230 /nfs/dbraw/zinc/76/32/30/1329763230.db2.gz IOZYRRPHBNPNTD-UHFFFAOYSA-N 0 0 325.368 2.335 10 10 EECERN Cc1ccc(C(=O)N(C)[C@H](c2nc[nH]n2)c2ccccc2)c(O)c1O ZINC001299112600 1330162685 /nfs/dbraw/zinc/16/26/85/1330162685.db2.gz FJASGIMOKWTOQQ-AWEZNQCLSA-N 0 0 338.367 2.386 10 10 EECERN CCn1cc(/C=C2\OCCn3c(C=O)c(Br)nc32)cn1 ZINC000901577064 1331515255 /nfs/dbraw/zinc/51/52/55/1331515255.db2.gz RDMCCCDDMHIORA-WZUFQYTHSA-N 0 0 337.177 2.203 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2C[C@H]2C)cc1 ZINC001323332815 1333442938 /nfs/dbraw/zinc/44/29/38/1333442938.db2.gz OXCTXRYHBLUXNV-ZBFHGGJFSA-N 0 0 331.460 2.263 10 10 EECERN C[C@@H]1CNc2c(C(=O)NCCCSc3nccs3)cnn2C1 ZINC001347650513 1337517390 /nfs/dbraw/zinc/51/73/90/1337517390.db2.gz USWNVENCSPBJSX-SNVBAGLBSA-N 0 0 337.474 2.313 10 10 EECERN CCC1(CC)NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849358625 1339154175 /nfs/dbraw/zinc/15/41/75/1339154175.db2.gz ZWXSKTFJTZVVAF-AWEZNQCLSA-N 0 0 331.416 2.385 10 10 EECERN COC(=O)C1=C(C)O[C@H](COc2ccc(N(C)C)c(C(=O)OC)c2)C1 ZINC001559457045 1342504070 /nfs/dbraw/zinc/50/40/70/1342504070.db2.gz YCMYBTBAEJMESC-ZDUSSCGKSA-N 0 0 349.383 2.154 10 10 EECERN COC(=O)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CC1 ZINC001583722492 1344921637 /nfs/dbraw/zinc/92/16/37/1344921637.db2.gz ICXDRXOXSSHRFR-LBPRGKRZSA-N 0 0 332.360 2.168 10 10 EECERN C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001595667621 1349891414 /nfs/dbraw/zinc/89/14/14/1349891414.db2.gz PZWCNUJHINHJSJ-SNVBAGLBSA-N 0 0 326.360 2.407 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](OCC)C1CCOCC1 ZINC001623579536 1352400223 /nfs/dbraw/zinc/40/02/23/1352400223.db2.gz CVQUTBKGUUIUEG-KRWDZBQOSA-N 0 0 342.432 2.326 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](NC(=O)OCC)C(C)C ZINC001623573843 1352400373 /nfs/dbraw/zinc/40/03/73/1352400373.db2.gz GIIWRXWIYZJNDO-AWEZNQCLSA-N 0 0 343.420 2.265 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C2CC2)nc1N ZINC001636058842 1352657440 /nfs/dbraw/zinc/65/74/40/1352657440.db2.gz TVOBHAFIMHCFSB-UHFFFAOYSA-N 0 0 333.388 2.058 10 10 EECERN Nc1cc(Br)cc(C(=O)NCc2ccccc2O)c1N ZINC001636057833 1352657524 /nfs/dbraw/zinc/65/75/24/1352657524.db2.gz KMMLOFUFMAHJDV-UHFFFAOYSA-N 0 0 336.189 2.249 10 10 EECERN Cn1ncc(C(F)(F)F)c1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001641308753 1352720548 /nfs/dbraw/zinc/72/05/48/1352720548.db2.gz PMSJNGFOEAMWHE-HWKANZROSA-N 0 0 341.289 2.180 10 10 EECERN Nc1nc(C2CCCC2)ncc1C(=O)NCc1cc(O)ccc1O ZINC001651225614 1354044986 /nfs/dbraw/zinc/04/49/86/1354044986.db2.gz QIVALDFOGVHIOY-UHFFFAOYSA-N 0 0 328.372 2.058 10 10 EECERN Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])n2)c(C)n1-c1ccc(F)cn1 ZINC001652609975 1354097173 /nfs/dbraw/zinc/09/71/73/1354097173.db2.gz MKJFQRDJXUNIMW-UHFFFAOYSA-N 0 0 344.306 2.011 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC001652927775 1354108478 /nfs/dbraw/zinc/10/84/78/1354108478.db2.gz GHBNKLCJOQKIFQ-SWLSCSKDSA-N 0 0 346.387 2.117 10 10 EECERN CC(=O)Nc1ccc(CNC(=O)NCc2cc(C)ccc2O)cn1 ZINC001672243915 1356487650 /nfs/dbraw/zinc/48/76/50/1356487650.db2.gz KRGIPLZKQBWHLO-UHFFFAOYSA-N 0 0 328.372 2.053 10 10 EECERN COc1ccc(CCS(=O)(=O)NCc2c(O)cccc2F)cc1 ZINC000921452285 773382978 /nfs/dbraw/zinc/38/29/78/773382978.db2.gz KGQYSDVLONSSJK-UHFFFAOYSA-N 0 0 339.388 2.202 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000817123911 784520087 /nfs/dbraw/zinc/52/00/87/784520087.db2.gz JTGAKXSQQJKOAB-UDGJJRABSA-N 0 0 334.372 2.236 10 10 EECERN C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000908210759 785237444 /nfs/dbraw/zinc/23/74/44/785237444.db2.gz CVZVOTPCSWGEKD-HNNXBMFYSA-N 0 0 347.242 2.162 10 10 EECERN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000818361573 785256365 /nfs/dbraw/zinc/25/63/65/785256365.db2.gz LPIJMDMDTNUJBW-RDDDGLTNSA-N 0 0 331.199 2.497 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3nccc(C)n3)C2)cc1 ZINC000819589088 785597897 /nfs/dbraw/zinc/59/78/97/785597897.db2.gz QDGAPFRADPJXPE-AWEZNQCLSA-N 0 0 326.400 2.050 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910944890 787148134 /nfs/dbraw/zinc/14/81/34/787148134.db2.gz YUFMCOPROQWMOX-NWDGAFQWSA-N 0 0 335.400 2.472 10 10 EECERN CCc1nn(C)cc1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822341176 787159443 /nfs/dbraw/zinc/15/94/43/787159443.db2.gz CTOKCQPWUOVEHZ-CYBMUJFWSA-N 0 0 343.431 2.392 10 10 EECERN Cc1cnn(C)c1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000824386421 788156529 /nfs/dbraw/zinc/15/65/29/788156529.db2.gz HAJAOXGHTYMAKQ-CQSZACIVSA-N 0 0 343.431 2.448 10 10 EECERN Cc1cc(C(=O)N2CCOC[C@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000912427974 788180203 /nfs/dbraw/zinc/18/02/03/788180203.db2.gz RECPVTAALCMHJB-QGZVFWFLSA-N 0 0 328.412 2.236 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/[C@H]1COC(C)(C)O1 ZINC001136972268 788388045 /nfs/dbraw/zinc/38/80/45/788388045.db2.gz GVQAXCQEFBYWBD-OWNNVSBGSA-N 0 0 332.400 2.186 10 10 EECERN C[C@@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000923045207 788701180 /nfs/dbraw/zinc/70/11/80/788701180.db2.gz OVGGSOASUKBOJA-PBHICJAKSA-N 0 0 348.443 2.069 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3CN(C)C(=O)[C@@H]3C)c2C)cc1 ZINC000844103604 788846917 /nfs/dbraw/zinc/84/69/17/788846917.db2.gz QNEIPYOBSIXBAJ-AWEZNQCLSA-N 0 0 341.411 2.363 10 10 EECERN COc1ccc(N2CCC(NC(=O)N(C)CC3(CO)CC3)CC2)cc1 ZINC000187130889 789239059 /nfs/dbraw/zinc/23/90/59/789239059.db2.gz JTAOHXPVJNXUDV-UHFFFAOYSA-N 0 0 347.459 2.078 10 10 EECERN COc1cccc(CNC(=O)N[C@@H]2CNc3ccccc3C2)c1O ZINC000846195351 790087035 /nfs/dbraw/zinc/08/70/35/790087035.db2.gz XVONUZPULZLTEY-AWEZNQCLSA-N 0 0 327.384 2.237 10 10 EECERN C[C@@H](NC(=O)CCOc1cccc(C(N)=O)c1)c1ccccc1O ZINC001171723044 796704259 /nfs/dbraw/zinc/70/42/59/796704259.db2.gz KXMKFRNFTYCUBY-GFCCVEGCSA-N 0 0 328.368 2.137 10 10 EECERN CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001175649011 798177908 /nfs/dbraw/zinc/17/79/08/798177908.db2.gz WXMDWRQTDBOAIV-JTQLQIEISA-N 0 0 336.413 2.285 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N3CC=C[C@@H]3CO)ccc21 ZINC000922266940 800145401 /nfs/dbraw/zinc/14/54/01/800145401.db2.gz JZKIQWXDCWRYPI-MRXNPFEDSA-N 0 0 328.412 2.277 10 10 EECERN CC(C)Oc1cc(NC(=O)c2cccc(O)c2O)ccc1C(N)=O ZINC000790163003 808464670 /nfs/dbraw/zinc/46/46/70/808464670.db2.gz VHKHYMMDJLGDLQ-UHFFFAOYSA-N 0 0 330.340 2.236 10 10 EECERN Cc1c(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)cnn1C ZINC000790511638 808770942 /nfs/dbraw/zinc/77/09/42/808770942.db2.gz AIKQAWXRUSAICR-UHFFFAOYSA-N 0 0 339.443 2.446 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)CCC(F)F)cc2)CC1 ZINC000793922065 810588516 /nfs/dbraw/zinc/58/85/16/810588516.db2.gz BYZSBDNHUQUOKO-UHFFFAOYSA-N 0 0 339.386 2.017 10 10 EECERN C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)NCCCSc1nccs1 ZINC000806277636 811812050 /nfs/dbraw/zinc/81/20/50/811812050.db2.gz GTYBBAAIJKMKBV-NWDGAFQWSA-N 0 0 341.502 2.389 10 10 EECERN CC1(C2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)OCCO1 ZINC001445528328 1091298353 /nfs/dbraw/zinc/29/83/53/1091298353.db2.gz GJXKPRPDCZDEPN-UHFFFAOYSA-N 0 0 346.387 2.464 10 10 EECERN COc1cccc(CNC(=O)Cn2nc(C)cc2C(F)F)c1O ZINC001445969964 1091924370 /nfs/dbraw/zinc/92/43/70/1091924370.db2.gz OHXQTRUIOCYZQG-UHFFFAOYSA-N 0 0 325.315 2.160 10 10 EECERN COc1cccc(CNC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)c1O ZINC001445969811 1091924762 /nfs/dbraw/zinc/92/47/62/1091924762.db2.gz NNKPUWKTYSKMSU-UHFFFAOYSA-N 0 0 347.371 2.009 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccnn1CCc1ccccc1 ZINC001451765872 1097909901 /nfs/dbraw/zinc/90/99/01/1097909901.db2.gz IPVWBEDNAGTGHU-UHFFFAOYSA-N 0 0 337.379 2.467 10 10 EECERN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001448067005 1103932307 /nfs/dbraw/zinc/93/23/07/1103932307.db2.gz GKVFKQWKZVDHOZ-SNVBAGLBSA-N 0 0 332.282 2.234 10 10 EECERN CSc1nc(C)c(CCC(=O)NCc2c(O)cccc2O)c(C)n1 ZINC001456235767 1109118605 /nfs/dbraw/zinc/11/86/05/1109118605.db2.gz MSMHJHDXIDLIEG-UHFFFAOYSA-N 0 0 347.440 2.476 10 10 EECERN CCOC(=O)Nc1scnc1C(=O)NCc1c(O)cccc1O ZINC001456319033 1109141358 /nfs/dbraw/zinc/14/13/58/1109141358.db2.gz NHIZLPRFFCYHMT-UHFFFAOYSA-N 0 0 337.357 2.053 10 10 EECERN COCCOCc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001468491275 1110475654 /nfs/dbraw/zinc/47/56/54/1110475654.db2.gz WHWPPOOPLLMQCJ-UHFFFAOYSA-N 0 0 345.395 2.120 10 10 EECERN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)nc1 ZINC001469158610 1110486087 /nfs/dbraw/zinc/48/60/87/1110486087.db2.gz DHXJCYDJHFAGRA-UHFFFAOYSA-N 0 0 344.367 2.378 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC001471975742 1110537023 /nfs/dbraw/zinc/53/70/23/1110537023.db2.gz FVGIANHCLNZOPQ-WBMJQRKESA-N 0 0 329.327 2.452 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001471974387 1110537131 /nfs/dbraw/zinc/53/71/31/1110537131.db2.gz BIUNQNRZLVHKHI-LLVKDONJSA-N 0 0 332.306 2.413 10 10 EECERN CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C(C)C ZINC001531264099 1122338452 /nfs/dbraw/zinc/33/84/52/1122338452.db2.gz ODVHTSFCHZALIQ-GFCCVEGCSA-N 0 0 333.392 2.130 10 10 EECERN COC(=O)CN(C(=O)/C=C(/C)c1cnccn1)c1cccc(F)c1 ZINC001542604005 1124114769 /nfs/dbraw/zinc/11/47/69/1124114769.db2.gz MSXVEXCZABEVQF-WQLSENKSSA-N 0 0 329.331 2.225 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](c4ncc[nH]4)C3)cc2N1 ZINC000091479473 462882574 /nfs/dbraw/zinc/88/25/74/462882574.db2.gz SPECMUFZOQWSLP-JTQLQIEISA-N 0 0 343.343 2.033 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000155708084 462932416 /nfs/dbraw/zinc/93/24/16/462932416.db2.gz YLHKSPFRYMYDCZ-WMZOPIPTSA-N 0 0 329.444 2.413 10 10 EECERN CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc2c(c1)OCO2 ZINC000121332479 463118858 /nfs/dbraw/zinc/11/88/58/463118858.db2.gz AWHSNJGAWATBFR-GJZGRUSLSA-N 0 0 332.400 2.022 10 10 EECERN C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000069848860 463338731 /nfs/dbraw/zinc/33/87/31/463338731.db2.gz MXCSXCDUIARADW-CRAIPNDOSA-N 0 0 343.471 2.455 10 10 EECERN COc1cc(Br)cc([C@@H]2NC(=O)[C@H]3CCCCN32)c1O ZINC000071967749 463478152 /nfs/dbraw/zinc/47/81/52/463478152.db2.gz KUDDFZMZRHUJMS-ZWNOBZJWSA-N 0 0 341.205 2.146 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC2CCC3(CC3)CC2)cc1 ZINC000283435844 463883382 /nfs/dbraw/zinc/88/33/82/463883382.db2.gz JMWHPWMUENISTG-UHFFFAOYSA-N 0 0 329.444 2.208 10 10 EECERN Cc1ccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(O)c1O ZINC000277723840 463928993 /nfs/dbraw/zinc/92/89/93/463928993.db2.gz YLLLUHIXCSBQLD-ZANVPECISA-N 0 0 333.306 2.182 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@H]3CC[C@H](OC)C3)CC2)cc1 ZINC000187895696 464171942 /nfs/dbraw/zinc/17/19/42/464171942.db2.gz QLPGVOFBNGGXDO-YJBOKZPZSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(CCCNC(=O)c2cccc(O)c2O)cc1OC ZINC000280127406 464190142 /nfs/dbraw/zinc/19/01/42/464190142.db2.gz LLBNJHYEBQNVCX-UHFFFAOYSA-N 0 0 331.368 2.478 10 10 EECERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cn[nH]c1 ZINC000270195285 464216196 /nfs/dbraw/zinc/21/61/96/464216196.db2.gz BMMWLZXMKQGDTP-AWEZNQCLSA-N 0 0 343.431 2.149 10 10 EECERN COC(=O)COc1ccc(N(C)Cc2ccc(C(=O)OC)cn2)cc1 ZINC000285483540 464582015 /nfs/dbraw/zinc/58/20/15/464582015.db2.gz CTZYYINHTNVSFX-UHFFFAOYSA-N 0 0 344.367 2.056 10 10 EECERN COC(=O)COc1ccc(N(C)CCNC(=O)OC(C)(C)C)cc1 ZINC000273152004 464706745 /nfs/dbraw/zinc/70/67/45/464706745.db2.gz XXCWUONLTOEDMT-UHFFFAOYSA-N 0 0 338.404 2.199 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000276040290 464795219 /nfs/dbraw/zinc/79/52/19/464795219.db2.gz NDWJJTSUZDQGKQ-RHSMWYFYSA-N 0 0 340.489 2.470 10 10 EECERN CN(Cc1ccccc1O)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301897026 466054715 /nfs/dbraw/zinc/05/47/15/466054715.db2.gz QUKZUPVXEKQPBF-UHFFFAOYSA-N 0 0 336.369 2.340 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000369388860 466730535 /nfs/dbraw/zinc/73/05/35/466730535.db2.gz IXVUWKFTIUBRMP-LJQANCHMSA-N 0 0 339.439 2.251 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632051400 470198643 /nfs/dbraw/zinc/19/86/43/470198643.db2.gz LIVBQYSWPQMZCH-NSHDSACASA-N 0 0 346.399 2.327 10 10 EECERN C[C@@H]1CC[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000091989944 534222193 /nfs/dbraw/zinc/22/21/93/534222193.db2.gz ALHAJBGLRROAKZ-MNOVXSKESA-N 0 0 326.418 2.024 10 10 EECERN CC[C@@H]1CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000291708787 529329719 /nfs/dbraw/zinc/32/97/19/529329719.db2.gz VIBTYDGVUHQRLQ-CQSZACIVSA-N 0 0 335.423 2.481 10 10 EECERN COc1cccc(CNC(=O)CCc2ccc3c(c2)OCCO3)c1O ZINC000729859867 576685804 /nfs/dbraw/zinc/68/58/04/576685804.db2.gz VFUILSFJRGVGBW-UHFFFAOYSA-N 0 0 343.379 2.421 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000730065918 576711787 /nfs/dbraw/zinc/71/17/87/576711787.db2.gz BROZUUOJNXLYSY-GOEBONIOSA-N 0 0 333.432 2.062 10 10 EECERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)C1=CC(=O)CS1 ZINC000732261739 577161583 /nfs/dbraw/zinc/16/15/83/577161583.db2.gz KVRHFJLTOFHKIK-UHFFFAOYSA-N 0 0 330.409 2.488 10 10 EECERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773008299 577310173 /nfs/dbraw/zinc/31/01/73/577310173.db2.gz NMUNGBSZLXYWDE-IUODEOHRSA-N 0 0 335.473 2.241 10 10 EECERN CCc1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000775376895 577436216 /nfs/dbraw/zinc/43/62/16/577436216.db2.gz AHXNBGOEIYEDLV-ZDUSSCGKSA-N 0 0 331.372 2.159 10 10 EECERN C[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000775432400 577437182 /nfs/dbraw/zinc/43/71/82/577437182.db2.gz CPJVUHRTPQPSGH-LBPRGKRZSA-N 0 0 336.395 2.480 10 10 EECERN Cc1nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(N(C)C)n1 ZINC000768522350 577557637 /nfs/dbraw/zinc/55/76/37/577557637.db2.gz LYEZJPPUEGGYNW-ZDUSSCGKSA-N 0 0 342.447 2.256 10 10 EECERN O=C(Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1)NC1CC1 ZINC000771013986 577607767 /nfs/dbraw/zinc/60/77/67/577607767.db2.gz WVXNCNQTYREMDP-UHFFFAOYSA-N 0 0 326.331 2.488 10 10 EECERN COc1ccc(N2CCN(C(=O)C3CCC(=O)CC3)CC2)cc1F ZINC000753732518 577792495 /nfs/dbraw/zinc/79/24/95/577792495.db2.gz UYCQPTGQWCPJLF-UHFFFAOYSA-N 0 0 334.391 2.242 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000746411255 577927371 /nfs/dbraw/zinc/92/73/71/577927371.db2.gz TVLMKXZALYHDBH-GFCCVEGCSA-N 0 0 347.440 2.060 10 10 EECERN C[C@H]([NH2+]Cc1cnn(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000806168756 675522185 /nfs/dbraw/zinc/52/21/85/675522185.db2.gz ZKLOAPJRKLSEIA-ZETCQYMHSA-N 0 0 329.173 2.273 10 10 EECERN CCc1c(C(=O)N[C@H](C)c2cc(OC)ccc2O)[nH]c(C)c1C(N)=O ZINC000161402842 678663644 /nfs/dbraw/zinc/66/36/44/678663644.db2.gz XETYTBJNYZPRTN-SECBINFHSA-N 0 0 345.399 2.190 10 10 EECERN O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCCCC1 ZINC000895723419 684700525 /nfs/dbraw/zinc/70/05/25/684700525.db2.gz LZIDJVVDXDULDX-UHFFFAOYSA-N 0 0 334.397 2.055 10 10 EECERN CC(C)N1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000896112780 684839388 /nfs/dbraw/zinc/83/93/88/684839388.db2.gz YEURCHVDELUTEB-JTQLQIEISA-N 0 0 334.397 2.052 10 10 EECERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897744279 691777156 /nfs/dbraw/zinc/77/71/56/691777156.db2.gz LRPAGJOGQVQDMV-LLVKDONJSA-N 0 0 348.424 2.299 10 10 EECERN Cc1cc(Cn2nnc(C(=O)N[C@@H](C)c3ccccc3O)c2C)on1 ZINC001648894706 1176754545 /nfs/dbraw/zinc/75/45/45/1176754545.db2.gz RAEXVTPDMWIWRV-NSHDSACASA-N 0 0 341.371 2.128 10 10 EECERN C[C@H](NC(=O)COc1ccsn1)c1ccc(N2CCOCC2)cc1 ZINC001625882144 1179132401 /nfs/dbraw/zinc/13/24/01/1179132401.db2.gz DESRUTCMEZAQJV-ZDUSSCGKSA-N 0 0 347.440 2.236 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)cc1F ZINC000863894595 1197909716 /nfs/dbraw/zinc/90/97/16/1197909716.db2.gz JZOYBNLJWGFIFR-ZDUSSCGKSA-N 0 0 344.390 2.077 10 10 EECERN CO[C@@H]1CN2C(=O)N(Cc3ccc(N4CC=CC4)cc3)C(=O)[C@@]2(C)C1 ZINC000865304391 1198161410 /nfs/dbraw/zinc/16/14/10/1198161410.db2.gz UWCGHRPWGZAYLT-QFBILLFUSA-N 0 0 341.411 2.004 10 10 EECERN COC(=O)c1cc(OCC(=O)N2CCCCCC2)ccc1N(C)C ZINC000865396624 1198196050 /nfs/dbraw/zinc/19/60/50/1198196050.db2.gz WTWGFTNFIDNNTD-UHFFFAOYSA-N 0 0 334.416 2.321 10 10 EECERN Cc1nc(N)nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000865452246 1198226078 /nfs/dbraw/zinc/22/60/78/1198226078.db2.gz FRLTYOALKDUVPD-QWRGUYRKSA-N 0 0 346.410 2.127 10 10 EECERN Cc1cc(=O)[nH]cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000124610992 1198672772 /nfs/dbraw/zinc/67/27/72/1198672772.db2.gz CTAGUWIQGCTPEK-CQSZACIVSA-N 0 0 341.411 2.011 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000874081626 1198785400 /nfs/dbraw/zinc/78/54/00/1198785400.db2.gz KCJZFVSPYHNBLY-HZPDHXFCSA-N 0 0 342.468 2.383 10 10 EECERN O=C(C=Cc1cnc2ccccc2n1)N1CCCc2c(=O)[nH]cnc21 ZINC001132783780 1200024576 /nfs/dbraw/zinc/02/45/76/1200024576.db2.gz VHNZDCFAOJDIAU-BQYQJAHWSA-N 0 0 333.351 2.118 10 10 EECERN OCCNc1nc(NCCc2ccc(O)c(O)c2)nc2ccccc21 ZINC000811811057 1200327747 /nfs/dbraw/zinc/32/77/47/1200327747.db2.gz KVKORGARUOGYHC-UHFFFAOYSA-N 0 0 340.383 2.100 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(F)cc1NC(=O)OC(C)(C)C ZINC000870021696 1200412021 /nfs/dbraw/zinc/41/20/21/1200412021.db2.gz ITEBNQSUYIZNKY-UHFFFAOYSA-N 0 0 339.319 2.488 10 10 EECERN CCN(CC)C(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871199324 1201096223 /nfs/dbraw/zinc/09/62/23/1201096223.db2.gz WIJLBWZPDCFGOC-UHFFFAOYSA-N 0 0 345.443 2.408 10 10 EECERN CC(C)(O)[C@H](Oc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204969 1201099370 /nfs/dbraw/zinc/09/93/70/1201099370.db2.gz NDEYCLOTSIFIPK-QGZVFWFLSA-N 0 0 327.380 2.453 10 10 EECERN O=C(Nc1ccc(N2CCOCC2)cn1)N1Cc2cccc(O)c2C1 ZINC000866100034 1201431862 /nfs/dbraw/zinc/43/18/62/1201431862.db2.gz FBNPZFBATJZFGU-UHFFFAOYSA-N 0 0 340.383 2.172 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]3CCNC(=O)[C@H]32)c1O ZINC000880525634 1201512590 /nfs/dbraw/zinc/51/25/90/1201512590.db2.gz GWEDMKASIPPTQM-ABAIWWIYSA-N 0 0 336.819 2.349 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)C[C@H]2CCC2(F)F)cc1F ZINC000866672111 1201576375 /nfs/dbraw/zinc/57/63/75/1201576375.db2.gz GOYUVGUKDLHAMP-LLVKDONJSA-N 0 0 336.379 2.356 10 10 EECERN C[C@@H]1Cc2cc(S(=O)(=O)N3Cc4cccc(O)c4C3)ccc2O1 ZINC000867691209 1201659981 /nfs/dbraw/zinc/65/99/81/1201659981.db2.gz RRBLGFCDWIQUIJ-LLVKDONJSA-N 0 0 331.393 2.420 10 10 EECERN CCc1noc2ncc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc12 ZINC000867691098 1201660202 /nfs/dbraw/zinc/66/02/02/1201660202.db2.gz RHUCASHGQHSZTQ-UHFFFAOYSA-N 0 0 345.380 2.195 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000868119373 1201747655 /nfs/dbraw/zinc/74/76/55/1201747655.db2.gz PNJAAMDFSMEEAL-KBPBESRZSA-N 0 0 341.415 2.211 10 10 EECERN Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000868301630 1201786881 /nfs/dbraw/zinc/78/68/81/1201786881.db2.gz NZFQOTKXLQZZLY-GXFFZTMASA-N 0 0 341.333 2.468 10 10 EECERN CC(=O)N1CCC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000868434163 1201811962 /nfs/dbraw/zinc/81/19/62/1201811962.db2.gz WQCWVLDHIWNMCV-OAHLLOKOSA-N 0 0 349.394 2.346 10 10 EECERN CN(C)Cc1csc(CNC(=O)NCc2c(O)cccc2F)n1 ZINC000924791798 1206032585 /nfs/dbraw/zinc/03/25/85/1206032585.db2.gz QWLHWEIOEQMIFP-UHFFFAOYSA-N 0 0 338.408 2.049 10 10 EECERN Cc1csc(C[C@H]2CCN(C(=O)C(=O)Nc3ccc(N)cc3)C2)n1 ZINC000927933226 1206317773 /nfs/dbraw/zinc/31/77/73/1206317773.db2.gz DHUPRXDNLRCYOG-GFCCVEGCSA-N 0 0 344.440 2.063 10 10 EECERN O=C(CCCNC(=O)c1ccsc1)NCc1c(O)cccc1F ZINC000928709533 1206413766 /nfs/dbraw/zinc/41/37/66/1206413766.db2.gz JIIBGBQAQFAXTH-UHFFFAOYSA-N 0 0 336.388 2.419 10 10 EECERN CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000093535964 1214896127 /nfs/dbraw/zinc/89/61/27/1214896127.db2.gz KFTGBEZCOWXFBD-SFHVURJKSA-N 0 0 332.444 2.439 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3n[nH]c(=S)n3c2)c1 ZINC001137473486 1248677341 /nfs/dbraw/zinc/67/73/41/1248677341.db2.gz KYLIRXYUKJSHAC-SECBINFHSA-N 0 0 344.396 2.223 10 10 EECERN C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CO1 ZINC000827617752 1248497086 /nfs/dbraw/zinc/49/70/86/1248497086.db2.gz MDNATWZKYRRPGL-LDYMZIIASA-N 0 0 329.194 2.131 10 10 EECERN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)NCCc2ccc(N)cc2)cn1 ZINC000851663117 1277707307 /nfs/dbraw/zinc/70/73/07/1277707307.db2.gz TWTFLULHKZVBQP-FUHWJXTLSA-N 0 0 341.459 2.255 10 10 EECERN COC1CC(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000852004901 1291950132 /nfs/dbraw/zinc/95/01/32/1291950132.db2.gz LSANEYICYLPZOH-UHFFFAOYSA-N 0 0 347.459 2.138 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CS[C@@H](C)C3)C2)cc1 ZINC000852381400 1292102183 /nfs/dbraw/zinc/10/21/83/1292102183.db2.gz RDELJNBWEKUEKU-IHRRRGAJSA-N 0 0 335.473 2.467 10 10 EECERN COC(=O)C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000852602012 1292142118 /nfs/dbraw/zinc/14/21/18/1292142118.db2.gz CHMQASFGBQGMGE-HNNXBMFYSA-N 0 0 333.432 2.141 10 10 EECERN COC(=O)C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000852602027 1292142305 /nfs/dbraw/zinc/14/23/05/1292142305.db2.gz CHMQASFGBQGMGE-OAHLLOKOSA-N 0 0 333.432 2.141 10 10 EECERN COCC1(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000854297006 1292708100 /nfs/dbraw/zinc/70/81/00/1292708100.db2.gz IDHUHERVTYCBTR-CQSZACIVSA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](OC)CC3)C2)cc1 ZINC000854297373 1292708966 /nfs/dbraw/zinc/70/89/66/1292708966.db2.gz QXZRWVHULVSHAY-RDJZCZTQSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)CCCCCO)C2)cc1 ZINC000854299829 1292710895 /nfs/dbraw/zinc/71/08/95/1292710895.db2.gz RXDFGMQUMRSMTA-HNNXBMFYSA-N 0 0 335.448 2.078 10 10 EECERN CCc1c[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855227361 1293119586 /nfs/dbraw/zinc/11/95/86/1293119586.db2.gz VSZUGXSNWUKHGN-CQSZACIVSA-N 0 0 341.411 2.367 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(C)nn(C)c3C)C2)cc1 ZINC000855230394 1293120805 /nfs/dbraw/zinc/12/08/05/1293120805.db2.gz VYUROXMKZONADD-AWEZNQCLSA-N 0 0 328.416 2.054 10 10 EECERN COc1ccc(O)c(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000857058304 1293709969 /nfs/dbraw/zinc/70/99/69/1293709969.db2.gz LCHOSYZHQAUJQK-MRXNPFEDSA-N 0 0 333.409 2.160 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)C2)cc1 ZINC000858598321 1294163753 /nfs/dbraw/zinc/16/37/53/1294163753.db2.gz CTKWIFGGNFWSFR-ZVZLPEGASA-N 0 0 347.459 2.385 10 10 EECERN C[C@]12CCCC[C@H]1CN2C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000863586165 1296346712 /nfs/dbraw/zinc/34/67/12/1296346712.db2.gz BWHOMLSBTSULOU-ZBEGNZNMSA-N 0 0 338.429 2.168 10 10 EECERN Cc1ccc(C(=O)N2CCN(c3cnccc3C)CC2)c(O)c1O ZINC000799058118 1305145342 /nfs/dbraw/zinc/14/53/42/1305145342.db2.gz HASKJIIDWBRGJN-UHFFFAOYSA-N 0 0 327.384 2.072 10 10 EECERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC001116240977 1305864715 /nfs/dbraw/zinc/86/47/15/1305864715.db2.gz LVGXUXFPABCHJS-GASCZTMLSA-N 0 0 348.830 2.315 10 10 EECERN C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]2CCCC[C@H]21 ZINC001118941353 1308962456 /nfs/dbraw/zinc/96/24/56/1308962456.db2.gz AZCOFEDSUBWLRU-IVMMDQJWSA-N 0 0 328.412 2.272 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CC(=O)N2 ZINC001141780934 1315303668 /nfs/dbraw/zinc/30/36/68/1315303668.db2.gz DVAPPGWXNCZXRX-SNVBAGLBSA-N 0 0 326.352 2.012 10 10 EECERN Cc1cc(Br)cc(CN2CCO[C@H]([C@H](C)O)C2)c1O ZINC000840977453 1315450531 /nfs/dbraw/zinc/45/05/31/1315450531.db2.gz HYHBHXPICWOCFG-GWCFXTLKSA-N 0 0 330.222 2.045 10 10 EECERN COC(=O)[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccnn1C ZINC000843430041 1315913458 /nfs/dbraw/zinc/91/34/58/1315913458.db2.gz MWHIBILABHWARU-FUTAKVPZSA-N 0 0 328.416 2.003 10 10 EECERN CCN1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1=O ZINC001254153270 1318006421 /nfs/dbraw/zinc/00/64/21/1318006421.db2.gz DCFTZKCVOUGIKC-KRWDZBQOSA-N 0 0 344.459 2.049 10 10 EECERN O=C(c1cccc(O)c1O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC001299675964 1319886718 /nfs/dbraw/zinc/88/67/18/1319886718.db2.gz ZLQBAYWQTFLBFJ-BETUJISGSA-N 0 0 349.289 2.040 10 10 EECERN CC(=O)c1cccc(O[C@H](C)C(=O)NCc2ccc(O)cc2O)c1 ZINC001162278926 1320803809 /nfs/dbraw/zinc/80/38/09/1320803809.db2.gz NTCSPBRQVXEJNW-GFCCVEGCSA-N 0 0 329.352 2.384 10 10 EECERN CCC(=O)NCCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001283680751 1326198925 /nfs/dbraw/zinc/19/89/25/1326198925.db2.gz NOQTXORNOLYUMJ-UHFFFAOYSA-N 0 0 333.392 2.227 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001292283427 1328380244 /nfs/dbraw/zinc/38/02/44/1328380244.db2.gz VNLJEYSLMHZOOY-MRXNPFEDSA-N 0 0 347.346 2.150 10 10 EECERN C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001299984638 1330169659 /nfs/dbraw/zinc/16/96/59/1330169659.db2.gz JGJLEAWCGAFSMX-FXPVBKGRSA-N 0 0 348.424 2.427 10 10 EECERN CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C)c(O)c1O ZINC001303528430 1331357964 /nfs/dbraw/zinc/35/79/64/1331357964.db2.gz BGVCDJIPPCOWEN-CQSZACIVSA-N 0 0 344.367 2.178 10 10 EECERN Cc1nnnn1-c1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001305084547 1331408807 /nfs/dbraw/zinc/40/88/07/1331408807.db2.gz KZLRPGCBZSLVCW-UHFFFAOYSA-N 0 0 343.774 2.260 10 10 EECERN C[C@H]1C[C@@H]1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001322249236 1333235924 /nfs/dbraw/zinc/23/59/24/1333235924.db2.gz GDXWANCDSVUIBW-DZGCQCFKSA-N 0 0 329.444 2.016 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@]12CCOC2 ZINC001328828210 1334530178 /nfs/dbraw/zinc/53/01/78/1334530178.db2.gz OFTRHSUTLDKATG-GOSISDBHSA-N 0 0 347.484 2.314 10 10 EECERN CCC[C@@H](CC)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328884963 1334540800 /nfs/dbraw/zinc/54/08/00/1334540800.db2.gz FEZZCUUFOLHYIW-HUUCEWRRSA-N 0 0 347.459 2.085 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnc(C4CC4)[nH]3)C2)cc1 ZINC001329351577 1334632404 /nfs/dbraw/zinc/63/24/04/1334632404.db2.gz LNGDHGGKAAVTIQ-ZDUSSCGKSA-N 0 0 326.400 2.304 10 10 EECERN O=C(CC1CCN(CC(F)(F)F)CC1)NCc1cccc(O)c1O ZINC001348045622 1337533843 /nfs/dbraw/zinc/53/38/43/1337533843.db2.gz FKYYAHQBGBJPDO-UHFFFAOYSA-N 0 0 346.349 2.378 10 10 EECERN CC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001611071691 1352294011 /nfs/dbraw/zinc/29/40/11/1352294011.db2.gz YMSJOLGGEULXIM-DZZUKKPASA-N 0 0 325.364 2.428 10 10 EECERN Cc1cc(CN2CCS(=O)(=O)CCO2)ccc1N1CCCCC1 ZINC001620679303 1352361966 /nfs/dbraw/zinc/36/19/66/1352361966.db2.gz YJBOPSVXHHKXHC-UHFFFAOYSA-N 0 0 338.473 2.147 10 10 EECERN CC(=O)Nc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC001564668471 1342550454 /nfs/dbraw/zinc/55/04/54/1342550454.db2.gz ZFGBHTKVCGBRTM-NSHDSACASA-N 0 0 328.372 2.306 10 10 EECERN C/C=C(/C)C(=O)N(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001572247638 1343444279 /nfs/dbraw/zinc/44/42/79/1343444279.db2.gz PTLJZSFUFNZBFS-DJXMCKHYSA-N 0 0 345.403 2.392 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ncc(Cl)cn1 ZINC001587460528 1348863129 /nfs/dbraw/zinc/86/31/29/1348863129.db2.gz ZCJCOUSYIWHASM-UHFFFAOYSA-N 0 0 346.818 2.239 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H](c2cncn2C)N(C)C)cc1 ZINC001596577926 1349908495 /nfs/dbraw/zinc/90/84/95/1349908495.db2.gz DLMOTOULKIOKEL-GOSISDBHSA-N 0 0 343.475 2.185 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001622664251 1352387100 /nfs/dbraw/zinc/38/71/00/1352387100.db2.gz NCYGNOVOCPSUOE-KBPBESRZSA-N 0 0 328.324 2.426 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3nn(C)cc3C)CC2)cc1 ZINC001623430408 1352396818 /nfs/dbraw/zinc/39/68/18/1352396818.db2.gz ZHUSPVFTEXJPRJ-UHFFFAOYSA-N 0 0 328.416 2.090 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001628950831 1352546270 /nfs/dbraw/zinc/54/62/70/1352546270.db2.gz MHNHNSQZZVIXCT-UHFFFAOYSA-N 0 0 329.360 2.190 10 10 EECERN CC(=O)Nc1cnccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001629931574 1352560824 /nfs/dbraw/zinc/56/08/24/1352560824.db2.gz NAFMRWIORXQJNV-UHFFFAOYSA-N 0 0 340.383 2.145 10 10 EECERN CN(C[C@H]1OCCc2ccccc21)C(=O)Cc1ccc(O)c(O)c1 ZINC001635940051 1352655370 /nfs/dbraw/zinc/65/53/70/1352655370.db2.gz SZCPYFIGDXOTFW-GOSISDBHSA-N 0 0 327.380 2.413 10 10 EECERN CCn1c(=O)[nH]c2ccc(C(=O)NCc3cccc(OC)c3O)cc21 ZINC001636061525 1352657171 /nfs/dbraw/zinc/65/71/71/1352657171.db2.gz PZKDNKWPFYMUNN-UHFFFAOYSA-N 0 0 341.367 2.406 10 10 EECERN COC(=O)c1ccc(/C=C\C(=O)NCc2cccc(OC)c2O)o1 ZINC001636061626 1352657196 /nfs/dbraw/zinc/65/71/96/1352657196.db2.gz TXMUEXFPEGIBJP-CLFYSBASSA-N 0 0 331.324 2.110 10 10 EECERN CCOC(=O)c1cccc2[nH]c(NC(=O)c3cccc(O)c3O)nc21 ZINC001637114906 1352672222 /nfs/dbraw/zinc/67/22/22/1352672222.db2.gz VCFGPUFUJRAIKO-UHFFFAOYSA-N 0 0 341.323 2.403 10 10 EECERN O=C(c1ccc(=O)n(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 ZINC001643169849 1352741056 /nfs/dbraw/zinc/74/10/56/1352741056.db2.gz VHUICFVGNOAZTM-UHFFFAOYSA-N 0 0 333.347 2.094 10 10 EECERN COc1ccc(N(C)Cc2coc(S(N)(=O)=O)c2)cc1Cl ZINC001644866941 1352770806 /nfs/dbraw/zinc/77/08/06/1352770806.db2.gz FDPXCRPAUUIEMJ-UHFFFAOYSA-N 0 0 330.793 2.225 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001648017942 1353413691 /nfs/dbraw/zinc/41/36/91/1353413691.db2.gz TYLDGUNWAAIQIX-WXVRQBDSSA-N 0 0 348.399 2.283 10 10 EECERN COC(=O)Nc1cc(C(=O)NCc2cccc(O)c2O)ccc1F ZINC001651175806 1354042081 /nfs/dbraw/zinc/04/20/81/1354042081.db2.gz NTMTXIWEMQCIJU-UHFFFAOYSA-N 0 0 334.303 2.345 10 10 EECERN Cc1cc(C)n(-c2ccc(C(=O)NCc3c(O)cccc3O)cn2)n1 ZINC001652626242 1354097296 /nfs/dbraw/zinc/09/72/96/1354097296.db2.gz UDCCQXQFPPTZKO-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCc1ccc(O)c(O)c1 ZINC001655217186 1354167908 /nfs/dbraw/zinc/16/79/08/1354167908.db2.gz RSKAVACRCFONKL-UHFFFAOYSA-N 0 0 346.265 2.413 10 10 EECERN O=C(NCc1ccccc1O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001682035589 1358119936 /nfs/dbraw/zinc/11/99/36/1358119936.db2.gz ZMDIRGYWNWSNBO-HNNXBMFYSA-N 0 0 343.358 2.136 10 10 EECERN CCOCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)no1 ZINC001686651658 1358440176 /nfs/dbraw/zinc/44/01/76/1358440176.db2.gz MEEXFHHZFDOASM-WDEREUQCSA-N 0 0 334.376 2.433 10 10 EECERN Cc1cc(C(=O)COC(=O)CC(N)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000840495131 782665598 /nfs/dbraw/zinc/66/55/98/782665598.db2.gz INXXPZBVLMCVMP-UHFFFAOYSA-N 0 0 342.395 2.312 10 10 EECERN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000319711619 776076332 /nfs/dbraw/zinc/07/63/32/776076332.db2.gz OFXKXJCISXXTMJ-LBPRGKRZSA-N 0 0 332.425 2.120 10 10 EECERN COC(=O)c1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)cs1 ZINC000906857800 784213248 /nfs/dbraw/zinc/21/32/48/784213248.db2.gz ZNBJGGGMYCZWEV-UHFFFAOYSA-N 0 0 347.396 2.035 10 10 EECERN Cc1n[nH]c(C(=O)NCCc2ccc(O)c(O)c2)c1C(F)(F)F ZINC000907057996 784357183 /nfs/dbraw/zinc/35/71/83/784357183.db2.gz UMIAKKLQDKZMML-UHFFFAOYSA-N 0 0 329.278 2.121 10 10 EECERN CCc1nc(C)c(CC(=O)NCc2ccc(OC)cc2O)c(C)n1 ZINC000907926372 784969352 /nfs/dbraw/zinc/96/93/52/784969352.db2.gz OCUIMPXNQIJMPQ-UHFFFAOYSA-N 0 0 329.400 2.229 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=S)NC[C@H]3CCCO3)C2)cc1 ZINC000819020788 785385496 /nfs/dbraw/zinc/38/54/96/785385496.db2.gz MBMPJULWHOXPQO-RHSMWYFYSA-N 0 0 349.500 2.165 10 10 EECERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001136251121 785635082 /nfs/dbraw/zinc/63/50/82/785635082.db2.gz RWPIIUWOEFKZEK-UHFFFAOYSA-N 0 0 340.379 2.480 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H]1CC ZINC000819698817 785646702 /nfs/dbraw/zinc/64/67/02/785646702.db2.gz STLXMETYNLMJMX-ZBFHGGJFSA-N 0 0 335.400 2.099 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1cnnn1C ZINC000819978967 785730006 /nfs/dbraw/zinc/73/00/06/785730006.db2.gz LJBGAUPRXOBDIT-UHFFFAOYSA-N 0 0 327.432 2.007 10 10 EECERN O=C(CNC(=O)c1ccc(F)cc1)NCc1cc(Cl)ccc1O ZINC001146233582 791143355 /nfs/dbraw/zinc/14/33/55/791143355.db2.gz WYPJYWDMQZXEKC-UHFFFAOYSA-N 0 0 336.750 2.231 10 10 EECERN CN(C)c1ccc(CN(C(=O)COCc2nccn2C)C2CC2)cc1 ZINC000821032701 786566564 /nfs/dbraw/zinc/56/65/64/786566564.db2.gz FCUCTWQBXSQWLV-UHFFFAOYSA-N 0 0 342.443 2.194 10 10 EECERN COC1(CS(=O)(=O)Nc2cc(C)c(O)c(C)c2C)CCOCC1 ZINC000844661404 789296851 /nfs/dbraw/zinc/29/68/51/789296851.db2.gz HJVBSBGLLWDOCY-UHFFFAOYSA-N 0 0 343.445 2.255 10 10 EECERN CS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)co1 ZINC000845191509 789626720 /nfs/dbraw/zinc/62/67/20/789626720.db2.gz ILISNDJOOQOSND-UHFFFAOYSA-N 0 0 348.424 2.213 10 10 EECERN Cc1cnc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000845813819 789956553 /nfs/dbraw/zinc/95/65/53/789956553.db2.gz GYMSHQJOLKAGSP-UHFFFAOYSA-N 0 0 340.427 2.362 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)c2cnn(C3CCC3)c2)cc1 ZINC000913862550 794414574 /nfs/dbraw/zinc/41/45/74/794414574.db2.gz SIFKOLXXXDHFCW-UHFFFAOYSA-N 0 0 334.445 2.153 10 10 EECERN C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)c1ccccc1O ZINC001171723651 796705036 /nfs/dbraw/zinc/70/50/36/796705036.db2.gz VWDUYJNKFLRZHJ-CYBMUJFWSA-N 0 0 328.368 2.496 10 10 EECERN C[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1O ZINC001171729402 796707161 /nfs/dbraw/zinc/70/71/61/796707161.db2.gz BRIKSFPYLJUUDE-LBPRGKRZSA-N 0 0 337.379 2.481 10 10 EECERN C[C@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1ccccc1O ZINC001171730124 796707601 /nfs/dbraw/zinc/70/76/01/796707601.db2.gz KTLJDFXHWWEYCM-STQMWFEESA-N 0 0 337.383 2.484 10 10 EECERN C[C@@H](Sc1nncn1C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179030008 799759250 /nfs/dbraw/zinc/75/92/50/799759250.db2.gz WIEMYGOHQREOIL-LLVKDONJSA-N 0 0 342.424 2.471 10 10 EECERN COCCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CCOC1 ZINC000787242482 807051407 /nfs/dbraw/zinc/05/14/07/807051407.db2.gz MMFOYVAWLPSEEK-KRWDZBQOSA-N 0 0 335.448 2.008 10 10 EECERN CC(C)(C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 ZINC000790290124 808564250 /nfs/dbraw/zinc/56/42/50/808564250.db2.gz IYWXUZOHMJAVBF-CQSZACIVSA-N 0 0 335.360 2.177 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ncccc1F ZINC000791337093 809185914 /nfs/dbraw/zinc/18/59/14/809185914.db2.gz UUBBACRSJNRPSD-CQSZACIVSA-N 0 0 343.402 2.477 10 10 EECERN COc1ccc(CNC(=O)c2ccc(CNC(C)=O)s2)c(O)c1 ZINC000794383451 810809353 /nfs/dbraw/zinc/80/93/53/810809353.db2.gz OIAIENSAIYNKNK-UHFFFAOYSA-N 0 0 334.397 2.028 10 10 EECERN C[C@H](NC(=O)Cc1ccc(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000806614575 811939618 /nfs/dbraw/zinc/93/96/18/811939618.db2.gz XQAIMGWNGFLDAD-AWEZNQCLSA-N 0 0 343.402 2.477 10 10 EECERN CC(=O)C(=O)COC(=O)CSc1cccc(Br)c1 ZINC000808532301 812702826 /nfs/dbraw/zinc/70/28/26/812702826.db2.gz ROGZURMUCBZIGN-UHFFFAOYSA-N 0 0 331.187 2.243 10 10 EECERN COc1cccc(CNC(=O)c2cn(-c3ccccc3C)nn2)c1O ZINC001566373894 1125598094 /nfs/dbraw/zinc/59/80/94/1125598094.db2.gz KTGWDFQWGVPSEO-UHFFFAOYSA-N 0 0 338.367 2.220 10 10 EECERN CCCOc1ccc(C[NH2+][C@H](Cc2ncccn2)C(=O)[O-])cc1C ZINC001261890191 1126161268 /nfs/dbraw/zinc/16/12/68/1126161268.db2.gz WXBDZLNBUFFVIL-OAHLLOKOSA-N 0 0 329.400 2.359 10 10 EECERN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001446967184 1101676125 /nfs/dbraw/zinc/67/61/25/1101676125.db2.gz SKVQLTCFUXELAO-ZDUSSCGKSA-N 0 0 335.400 2.078 10 10 EECERN COC1(OC)CC2(CN(C(=O)Cc3ccc(O)c(O)c3)[C@@H]2C(C)C)C1 ZINC001452561300 1105565704 /nfs/dbraw/zinc/56/57/04/1105565704.db2.gz OSAYGHDIUDJPRS-QGZVFWFLSA-N 0 0 349.427 2.276 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)c1ccc(F)cc1F ZINC001470399963 1110505665 /nfs/dbraw/zinc/50/56/65/1110505665.db2.gz CYBWYZIRULLOIU-HSVJCBRXSA-N 0 0 335.306 2.239 10 10 EECERN C[C@H](NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)c1ccccc1O ZINC001471197806 1110518870 /nfs/dbraw/zinc/51/88/70/1110518870.db2.gz BFODTGAQUNJYNN-DJYGCBNOSA-N 0 0 335.381 2.279 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)[C@@H]1COC[C@H]1O ZINC001471918662 1110535407 /nfs/dbraw/zinc/53/54/07/1110535407.db2.gz AZTMXVREVSVANQ-QZTJIDSGSA-N 0 0 328.412 2.234 10 10 EECERN CC(=O)N/C(=C/c1cccs1)C(=O)NCc1c(O)cccc1F ZINC001471975875 1110537003 /nfs/dbraw/zinc/53/70/03/1110537003.db2.gz KXOKRCKVMNIBHC-RIYZIHGNSA-N 0 0 334.372 2.386 10 10 EECERN C[C@H](C(=O)NCc1c(O)ccc2ccccc21)[C@@H](C)S(C)(=O)=O ZINC001472084660 1110541404 /nfs/dbraw/zinc/54/14/04/1110541404.db2.gz BJQJSYHVTIZBOM-NWDGAFQWSA-N 0 0 335.425 2.231 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)c1ccccc1-n1cnnn1 ZINC001472086323 1110541898 /nfs/dbraw/zinc/54/18/98/1110541898.db2.gz UQWLICHJSZEITC-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN CC(C)=CC(=O)N(C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001506256245 1114504310 /nfs/dbraw/zinc/50/43/10/1114504310.db2.gz WZXWXPYCZTVCKV-UHFFFAOYSA-N 0 0 343.387 2.098 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@@H](O)C1 ZINC001511780589 1118246911 /nfs/dbraw/zinc/24/69/11/1118246911.db2.gz UOWIMSXYAHQCSW-GOEBONIOSA-N 0 0 330.432 2.480 10 10 EECERN CCc1nnc(N2CCO[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001513946173 1118755980 /nfs/dbraw/zinc/75/59/80/1118755980.db2.gz ZWSREMGASOMXAC-OAHLLOKOSA-N 0 0 343.475 2.488 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1 ZINC001519802751 1119106994 /nfs/dbraw/zinc/10/69/94/1119106994.db2.gz HMJVVGBEQSSCMY-UHFFFAOYSA-N 0 0 331.372 2.343 10 10 EECERN CN(C)Cc1nc(CNC(=O)c2cc3cc(O)c(O)cc3s2)co1 ZINC001520768727 1119193258 /nfs/dbraw/zinc/19/32/58/1119193258.db2.gz COWCFXIKCZENDG-UHFFFAOYSA-N 0 0 347.396 2.292 10 10 EECERN Cc1nnc(N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001543277452 1124126302 /nfs/dbraw/zinc/12/63/02/1124126302.db2.gz MIPZLYGQGIJSOP-UHFFFAOYSA-N 0 0 327.432 2.072 10 10 EECERN CO[C@@H](C)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000188845314 533351385 /nfs/dbraw/zinc/35/13/85/533351385.db2.gz HWQUCKMDBLVHFH-GJZGRUSLSA-N 0 0 335.448 2.088 10 10 EECERN CC1(C)COCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1 ZINC000096298383 135642866 /nfs/dbraw/zinc/64/28/66/135642866.db2.gz TWGBRBVMZDTIHV-YVMONPNESA-N 0 0 330.428 2.174 10 10 EECERN CCn1c(C)nnc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232997 463672564 /nfs/dbraw/zinc/67/25/64/463672564.db2.gz BYCLTQKFZDITIQ-MRXNPFEDSA-N 0 0 330.432 2.493 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCOC1(C)C ZINC000297726131 465267777 /nfs/dbraw/zinc/26/77/77/465267777.db2.gz IYIDSGGURDBBFB-KRWDZBQOSA-N 0 0 347.459 2.232 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCCN(c3cccnn3)CC2)c1O ZINC000175643983 464594138 /nfs/dbraw/zinc/59/41/38/464594138.db2.gz GXIAVYINUHNKBF-UHFFFAOYSA-N 0 0 344.390 2.236 10 10 EECERN Cc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000285743293 464679267 /nfs/dbraw/zinc/67/92/67/464679267.db2.gz PFUPVFWMTNRPET-UHFFFAOYSA-N 0 0 347.390 2.068 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCOC[C@@H]2CC(F)F)cc1 ZINC000285817077 464705700 /nfs/dbraw/zinc/70/57/00/464705700.db2.gz VGMHKBRGVUSNHD-AWEZNQCLSA-N 0 0 327.375 2.318 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCn2ncnc21 ZINC000177313078 464984283 /nfs/dbraw/zinc/98/42/83/464984283.db2.gz XDXZFLBCVKYVAP-MRXNPFEDSA-N 0 0 340.431 2.213 10 10 EECERN CCn1nc2c(cc1=O)CN(Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000371327612 465716445 /nfs/dbraw/zinc/71/64/45/465716445.db2.gz OFOKIZFDRLPZSI-UHFFFAOYSA-N 0 0 330.407 2.027 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H](C2CC2)C1 ZINC000368786153 466698308 /nfs/dbraw/zinc/69/83/08/466698308.db2.gz IONOIJUVEINQHK-SFHVURJKSA-N 0 0 327.428 2.383 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000374189165 467030649 /nfs/dbraw/zinc/03/06/49/467030649.db2.gz GZRQMYYFIIRMDS-BMFZPTHFSA-N 0 0 345.443 2.323 10 10 EECERN COc1cccc(CNC(=O)NC[C@H]2COc3ccccc3O2)c1O ZINC000727839594 576453405 /nfs/dbraw/zinc/45/34/05/576453405.db2.gz IKUDHLCNSDGOFX-ZDUSSCGKSA-N 0 0 344.367 2.040 10 10 EECERN C[C@@H](NC(=O)N[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000730065917 576711812 /nfs/dbraw/zinc/71/18/12/576711812.db2.gz BROZUUOJNXLYSY-GDBMZVCRSA-N 0 0 333.432 2.062 10 10 EECERN C[C@@H](NC(=O)NCC(=O)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000773223405 577324454 /nfs/dbraw/zinc/32/44/54/577324454.db2.gz KABLWJVNGKSZMF-CYBMUJFWSA-N 0 0 344.415 2.022 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(Cl)o2)cc1 ZINC000775231203 577433199 /nfs/dbraw/zinc/43/31/99/577433199.db2.gz NEFCTZIVHBLOLR-UHFFFAOYSA-N 0 0 349.818 2.274 10 10 EECERN COCCCOC1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776236647 577455405 /nfs/dbraw/zinc/45/54/05/577455405.db2.gz AHTLCEQBLDQZBP-CQSZACIVSA-N 0 0 335.448 2.261 10 10 EECERN O=C(NCCCSc1nccs1)N1CCO[C@H](C2CC2)C1 ZINC000777246048 577475699 /nfs/dbraw/zinc/47/56/99/577475699.db2.gz CUJMKMNVYPOQHP-LBPRGKRZSA-N 0 0 327.475 2.446 10 10 EECERN O=S(=O)(c1cccc2nonc21)N1CC2(CC2)c2ccccc21 ZINC000765090397 577494696 /nfs/dbraw/zinc/49/46/96/577494696.db2.gz RBMSUVMOODVQLP-UHFFFAOYSA-N 0 0 327.365 2.463 10 10 EECERN CC[C@]1(C2CC2)NC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1=O ZINC000758179284 577617639 /nfs/dbraw/zinc/61/76/39/577617639.db2.gz TZSNGJSRNIESFV-LJQANCHMSA-N 0 0 344.459 2.253 10 10 EECERN Cn1ncc(NC(=O)NCCc2ccc(O)c(O)c2)c1C(F)F ZINC000760006431 577655790 /nfs/dbraw/zinc/65/57/90/577655790.db2.gz QTKUHKGIIBLZSZ-UHFFFAOYSA-N 0 0 326.303 2.133 10 10 EECERN CCn1cnc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000747249942 577941780 /nfs/dbraw/zinc/94/17/80/577941780.db2.gz FAWXCHIAMOWYFV-UHFFFAOYSA-N 0 0 348.472 2.322 10 10 EECERN O=C(Nc1cccnc1N1CCC(CO)CC1)C1=CC(=O)CS1 ZINC000738542007 578018958 /nfs/dbraw/zinc/01/89/58/578018958.db2.gz YKYLMAAQOOFLEH-UHFFFAOYSA-N 0 0 333.413 2.310 10 10 EECERN C[C@@H](NCc1cnn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000806167261 675455976 /nfs/dbraw/zinc/45/59/76/675455976.db2.gz PFGSGMMSZGRMQN-GFCCVEGCSA-N 0 0 335.839 2.156 10 10 EECERN CNC(=O)CCCCC(=O)NCc1cc(Br)ccc1O ZINC000804732794 675609401 /nfs/dbraw/zinc/60/94/01/675609401.db2.gz BJLKDIMZOWSREL-UHFFFAOYSA-N 0 0 343.221 2.077 10 10 EECERN COC(=O)c1c(CN(C)Cc2nnc(C)o2)c2cc(F)ccc2n1C ZINC000895250284 684385450 /nfs/dbraw/zinc/38/54/50/684385450.db2.gz AQKXKEXYBGGAIJ-UHFFFAOYSA-N 0 0 346.362 2.427 10 10 EECERN O=C(N[C@H](CCO)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000899782266 693862595 /nfs/dbraw/zinc/86/25/95/693862595.db2.gz KSDHMNCZUJQPIC-LLVKDONJSA-N 0 0 335.303 2.356 10 10 EECERN O=C(NCCCO[C@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 ZINC000896957247 686008817 /nfs/dbraw/zinc/00/88/17/686008817.db2.gz TXKXBQKTPMQONY-NSHDSACASA-N 0 0 337.397 2.238 10 10 EECERN CN(C)c1ccc(/C=C\C[NH2+][C@@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000904006630 694266419 /nfs/dbraw/zinc/26/64/19/694266419.db2.gz YPJWRPRBYKIGTR-MJRGOJFPSA-N 0 0 331.460 2.295 10 10 EECERN COC(=O)c1cc(OCCn2c(C)csc2=O)ccc1N(C)C ZINC000865396683 1198195699 /nfs/dbraw/zinc/19/56/99/1198195699.db2.gz YVJLFHCIFNFLEE-UHFFFAOYSA-N 0 0 336.413 2.150 10 10 EECERN COC(=O)c1cc(OCC(=O)N(C)Cc2ccco2)ccc1N(C)C ZINC000865396269 1198196096 /nfs/dbraw/zinc/19/60/96/1198196096.db2.gz NPPACJSZDWVGRL-UHFFFAOYSA-N 0 0 346.383 2.170 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](O)Cc1ccccc1 ZINC000813514292 1199062935 /nfs/dbraw/zinc/06/29/35/1199062935.db2.gz ZZGCAJIKORWENI-BBRMVZONSA-N 0 0 329.396 2.139 10 10 EECERN COC(=O)[C@]12CCC[C@H]1N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000874931182 1199078056 /nfs/dbraw/zinc/07/80/56/1199078056.db2.gz BSWFYQSJOFQRRO-USVNEQSZSA-N 0 0 331.368 2.055 10 10 EECERN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC000875507920 1199276371 /nfs/dbraw/zinc/27/63/71/1199276371.db2.gz NJQSIASFKXNYKG-WGDDSDEBSA-N 0 0 345.443 2.455 10 10 EECERN COc1ccc(N2CCN(C(=O)c3n[nH]c(C)c3C)CC2)c(OC)c1 ZINC000870164114 1200528759 /nfs/dbraw/zinc/52/87/59/1200528759.db2.gz OCRYDRMEOGFLKV-UHFFFAOYSA-N 0 0 344.415 2.006 10 10 EECERN O=C(C1CCCCC1)N1CC(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871205881 1201099537 /nfs/dbraw/zinc/09/95/37/1201099537.db2.gz MUESWYUYYGFQNB-UHFFFAOYSA-N 0 0 328.412 2.273 10 10 EECERN COC(=O)c1cc(C2CCN(C(=O)C3=CC(=O)CS3)CC2)no1 ZINC000871221415 1201104963 /nfs/dbraw/zinc/10/49/63/1201104963.db2.gz UWGXJRPVDWWVOK-UHFFFAOYSA-N 0 0 336.369 2.248 10 10 EECERN C[C@H]1CCCN(c2ccc(CNC(=O)c3nnn(C)n3)cc2Cl)C1 ZINC000879871839 1201290153 /nfs/dbraw/zinc/29/01/53/1201290153.db2.gz BJOJLUJJEFXCAW-NSHDSACASA-N 0 0 348.838 2.030 10 10 EECERN COC1(CS(=O)(=O)NCc2ccc(N(C)C)c(F)c2)CCCC1 ZINC000866671894 1201576087 /nfs/dbraw/zinc/57/60/87/1201576087.db2.gz BROMBDPQIVYMQY-UHFFFAOYSA-N 0 0 344.452 2.270 10 10 EECERN CCN(Cc1ccccc1)S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690188 1201660100 /nfs/dbraw/zinc/66/01/00/1201660100.db2.gz CDBZOTLOWCZPAH-UHFFFAOYSA-N 0 0 332.425 2.475 10 10 EECERN C[C@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1O ZINC000867836493 1201691109 /nfs/dbraw/zinc/69/11/09/1201691109.db2.gz UZJAOROMOIFXOW-ZETCQYMHSA-N 0 0 335.307 2.174 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3ccnn3C)C2)cc1 ZINC000868763010 1201874337 /nfs/dbraw/zinc/87/43/37/1201874337.db2.gz YKLNNJLUZJNPTL-UONOGXRCSA-N 0 0 343.431 2.068 10 10 EECERN CN(C)c1ccc(CN2C(=O)N[C@H](CC3CCOCC3)C2=O)cc1F ZINC000924542724 1205993619 /nfs/dbraw/zinc/99/36/19/1205993619.db2.gz NVLUINNBHULGFQ-OAHLLOKOSA-N 0 0 349.406 2.129 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000927567463 1206277284 /nfs/dbraw/zinc/27/72/84/1206277284.db2.gz BNJJRBPSSJDLMH-SFCGBDQTSA-N 0 0 331.290 2.337 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000928707708 1206413760 /nfs/dbraw/zinc/41/37/60/1206413760.db2.gz BAKRVJJIBPKXGL-CQSZACIVSA-N 0 0 342.370 2.196 10 10 EECERN COCCCOc1ccc(C(=O)NCc2c(O)cccc2F)cn1 ZINC000928710409 1206414087 /nfs/dbraw/zinc/41/40/87/1206414087.db2.gz DCBIAVSIZAGAMU-UHFFFAOYSA-N 0 0 334.347 2.272 10 10 EECERN COCCc1cc(NC(=O)NCc2cccc(Cl)c2O)n(C)n1 ZINC000930436470 1206557632 /nfs/dbraw/zinc/55/76/32/1206557632.db2.gz DZJZRGIUCCTRLQ-UHFFFAOYSA-N 0 0 338.795 2.290 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)[C@]12C[C@H]1COC21CCC1 ZINC000930523095 1206564567 /nfs/dbraw/zinc/56/45/67/1206564567.db2.gz LTXBHSWVHTYFKZ-JXFKEZNVSA-N 0 0 342.439 2.099 10 10 EECERN C[C@H](NC(=O)c1cc(C=O)n(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000930744149 1206579358 /nfs/dbraw/zinc/57/93/58/1206579358.db2.gz IURVNWZCBWDLKL-AWEZNQCLSA-N 0 0 341.411 2.165 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCCn1ccccc1=O ZINC000155548203 1208329662 /nfs/dbraw/zinc/32/96/62/1208329662.db2.gz SKVMGANAUKZPOO-UHFFFAOYSA-N 0 0 337.335 2.269 10 10 EECERN N#Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)ccn1 ZINC000192770041 1210591889 /nfs/dbraw/zinc/59/18/89/1210591889.db2.gz QGAHAWZDYRZMKL-UHFFFAOYSA-N 0 0 338.436 2.436 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(O)cc1F ZINC001626155557 1227622048 /nfs/dbraw/zinc/62/20/48/1227622048.db2.gz XXYDNNXTGFYTBH-UHFFFAOYSA-N 0 0 348.349 2.437 10 10 EECERN CCN1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1=O ZINC000802530732 1237601398 /nfs/dbraw/zinc/60/13/98/1237601398.db2.gz AHLGKTKSGWQZIO-QGZVFWFLSA-N 0 0 344.459 2.047 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H]1CCC1(C)C)cc2=O ZINC000850070191 1277018570 /nfs/dbraw/zinc/01/85/70/1277018570.db2.gz PVNHVVLTTWXJHZ-GFCCVEGCSA-N 0 0 347.371 2.091 10 10 EECERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(-n2ccnn2)c1 ZINC000121550666 1285887973 /nfs/dbraw/zinc/88/79/73/1285887973.db2.gz RLIJXWNAPKZYLS-UHFFFAOYSA-N 0 0 349.394 2.356 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCCOC(C)C)C2)cc1 ZINC000851922228 1291916834 /nfs/dbraw/zinc/91/68/34/1291916834.db2.gz FJCXVJQRDCCEDT-HNNXBMFYSA-N 0 0 335.448 2.388 10 10 EECERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000851988323 1291943158 /nfs/dbraw/zinc/94/31/58/1291943158.db2.gz XNOCEWJVUPYNIH-WOVMCDHWSA-N 0 0 345.443 2.380 10 10 EECERN C[C@H]1COC2(CCC2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852441106 1292113973 /nfs/dbraw/zinc/11/39/73/1292113973.db2.gz KDUUIHWOGQAQFF-INIZCTEOSA-N 0 0 345.487 2.354 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCCO[C@@H]2CC2(F)F)c1 ZINC000852529522 1292127721 /nfs/dbraw/zinc/12/77/21/1292127721.db2.gz HUSZVHZYXSJORS-NOZJJQNGSA-N 0 0 330.331 2.185 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCCO[C@@H]1CC1(F)F ZINC000852530019 1292127838 /nfs/dbraw/zinc/12/78/38/1292127838.db2.gz RBHZLKWTBXJDPG-CQSZACIVSA-N 0 0 327.375 2.284 10 10 EECERN CCOC(=O)[C@@]1(F)CN(C(=O)Cc2ccc(N)cc2)CC12CCC2 ZINC000852901229 1292228676 /nfs/dbraw/zinc/22/86/76/1292228676.db2.gz DDRYWJMMGUSNQV-SFHVURJKSA-N 0 0 334.391 2.095 10 10 EECERN O=C(NCCCSc1nccs1)NCCO[C@@H]1CC1(F)F ZINC000853855700 1292490076 /nfs/dbraw/zinc/49/00/76/1292490076.db2.gz DDFVASZEJHLDFS-SECBINFHSA-N 0 0 337.417 2.349 10 10 EECERN Cc1cc(CC(=O)OC[C@H]2CNC(=O)O2)c(C)n1-c1ccccc1 ZINC000853932286 1292536052 /nfs/dbraw/zinc/53/60/52/1292536052.db2.gz GUYZPUPCDWRPEU-MRXNPFEDSA-N 0 0 328.368 2.288 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC(F)(F)C3)C2)cc1 ZINC000854299129 1292710244 /nfs/dbraw/zinc/71/02/44/1292710244.db2.gz MASXWXNERIALML-LBPRGKRZSA-N 0 0 325.359 2.325 10 10 EECERN CC[C@](C)(CCO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300704 1292711517 /nfs/dbraw/zinc/71/15/17/1292711517.db2.gz YQFVYSUNVDSHHK-RDTXWAMCSA-N 0 0 335.448 2.124 10 10 EECERN CN1CCC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1=O ZINC000854512644 1292822735 /nfs/dbraw/zinc/82/27/35/1292822735.db2.gz BHCAQRMLCQATKE-CYBMUJFWSA-N 0 0 349.394 2.203 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cn(C(C)(C)C)nn3)C2)cc1 ZINC000855227227 1293119778 /nfs/dbraw/zinc/11/97/78/1293119778.db2.gz XCQYWGAGPFPPTQ-CYBMUJFWSA-N 0 0 343.431 2.050 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)n3nc(C)cc3C)C2)cc1 ZINC000855230221 1293120820 /nfs/dbraw/zinc/12/08/20/1293120820.db2.gz OJMKPINAABRHNN-HOTGVXAUSA-N 0 0 342.443 2.465 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CNC(=O)c2ccccc21 ZINC000858452557 1294120433 /nfs/dbraw/zinc/12/04/33/1294120433.db2.gz LRMGEMHRJGBMLP-IBGZPJMESA-N 0 0 349.434 2.430 10 10 EECERN COC(=O)C1=CC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000858738971 1294207634 /nfs/dbraw/zinc/20/76/34/1294207634.db2.gz JXIIRGHKGUULJZ-MRXNPFEDSA-N 0 0 343.427 2.130 10 10 EECERN COCCOc1ncccc1NC(=O)NCc1cc(C)ccc1O ZINC000860589735 1295025113 /nfs/dbraw/zinc/02/51/13/1295025113.db2.gz QTESBBHYRPQKEH-UHFFFAOYSA-N 0 0 331.372 2.443 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2Cc3cncn3C2)c1 ZINC000861891544 1295581343 /nfs/dbraw/zinc/58/13/43/1295581343.db2.gz CDUJHAWRCCZDLY-QGZVFWFLSA-N 0 0 348.406 2.458 10 10 EECERN CCOC1(C(=O)NCc2ccc3cccnc3c2O)CCOCC1 ZINC000862025289 1295661172 /nfs/dbraw/zinc/66/11/72/1295661172.db2.gz RRLBGHYRAKOYTD-UHFFFAOYSA-N 0 0 330.384 2.142 10 10 EECERN CCOc1ccc(CN[C@@H](C[C@@H]2CCCOC2)C(=O)OC)c(O)c1 ZINC000862516133 1295865289 /nfs/dbraw/zinc/86/52/89/1295865289.db2.gz LJFSGLRNCUZZQV-BBRMVZONSA-N 0 0 337.416 2.239 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[C@H]2CCCS2)cc1 ZINC001118998894 1308970651 /nfs/dbraw/zinc/97/06/51/1308970651.db2.gz QOZGUTNBQXTQBC-MRXNPFEDSA-N 0 0 349.500 2.113 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001124104188 1310826491 /nfs/dbraw/zinc/82/64/91/1310826491.db2.gz UOFRMBLNHMFXOH-LSDHHAIUSA-N 0 0 348.468 2.219 10 10 EECERN COc1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001139031614 1314691439 /nfs/dbraw/zinc/69/14/39/1314691439.db2.gz CFGHXSPUUSAFPH-UONOGXRCSA-N 0 0 335.400 2.385 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2CC3CC2(C(F)(F)F)C3)cc1 ZINC000839619693 1315221493 /nfs/dbraw/zinc/22/14/93/1315221493.db2.gz UGCJVNKGZLJYDX-UHFFFAOYSA-N 0 0 341.377 2.396 10 10 EECERN C[C@H]1CCCc2nc(S(=O)(=O)NCc3ccc(N(C)C)cc3)cn21 ZINC000841476021 1315561334 /nfs/dbraw/zinc/56/13/34/1315561334.db2.gz COGYDMBAVSWHKU-ZDUSSCGKSA-N 0 0 348.472 2.325 10 10 EECERN Cc1ccncc1N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841958474 1315644515 /nfs/dbraw/zinc/64/45/15/1315644515.db2.gz GHOIRTZPZGFQNR-UHFFFAOYSA-N 0 0 339.443 2.047 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cccn(C2CC2)c1=O ZINC001142731357 1315718761 /nfs/dbraw/zinc/71/87/61/1315718761.db2.gz VRCFKZSINQSMSQ-UHFFFAOYSA-N 0 0 335.363 2.367 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC001153879909 1316907579 /nfs/dbraw/zinc/90/75/79/1316907579.db2.gz ZGAVQTCWTGXUEZ-CQSZACIVSA-N 0 0 344.367 2.002 10 10 EECERN C[C@@H](C(=O)NCc1c(O)cccc1O)[C@H](C)NC(=O)OC(C)(C)C ZINC001156885523 1318264191 /nfs/dbraw/zinc/26/41/91/1318264191.db2.gz HZBIFGWOEDOLDE-MNOVXSKESA-N 0 0 338.404 2.263 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001157107788 1318408553 /nfs/dbraw/zinc/40/85/53/1318408553.db2.gz JXEYSDYCAXAOCY-UHFFFAOYSA-N 0 0 345.739 2.093 10 10 EECERN C[C@H](NC(=O)N1CC[C@]12CCOC2)c1ccc(N2CCOCC2)cc1 ZINC001261392557 1322087763 /nfs/dbraw/zinc/08/77/63/1322087763.db2.gz IILCSAWXFQVRSP-HNAYVOBHSA-N 0 0 345.443 2.159 10 10 EECERN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1-c1cnccn1 ZINC001294872007 1329175430 /nfs/dbraw/zinc/17/54/30/1329175430.db2.gz SKVXSPWZUMSIQH-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN C[C@H](CNC(=O)C1(C)CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284301329 1326495635 /nfs/dbraw/zinc/49/56/35/1326495635.db2.gz PJVDPFBWXWRZLO-LLVKDONJSA-N 0 0 345.403 2.274 10 10 EECERN CC[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001295088165 1329778841 /nfs/dbraw/zinc/77/88/41/1329778841.db2.gz CJUALRIOKHEATO-BPNCWPANSA-N 0 0 345.403 2.272 10 10 EECERN CC(C)[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298626126 1330105807 /nfs/dbraw/zinc/10/58/07/1330105807.db2.gz QSDBASGDDIRJTK-NEPJUHHUSA-N 0 0 347.419 2.376 10 10 EECERN Cc1ccccc1[C@@H](CC(=O)NCc1c(O)cccc1F)NC(N)=O ZINC001303879256 1331368845 /nfs/dbraw/zinc/36/88/45/1331368845.db2.gz VHTZBFXWIVZNNQ-OAHLLOKOSA-N 0 0 345.374 2.256 10 10 EECERN COc1cc(C(=O)NCc2c(O)cccc2O)cc([N+](=O)[O-])c1C ZINC001304053774 1331375640 /nfs/dbraw/zinc/37/56/40/1331375640.db2.gz RTZOESXWSTZNOX-UHFFFAOYSA-N 0 0 332.312 2.253 10 10 EECERN CSc1cc(O)ccc1NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC001320724586 1332941479 /nfs/dbraw/zinc/94/14/79/1332941479.db2.gz AZXYBHFUFQHQLW-UHFFFAOYSA-N 0 0 338.410 2.014 10 10 EECERN C[C@@H](CNCc1nccs1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322094318 1333207791 /nfs/dbraw/zinc/20/77/91/1333207791.db2.gz WDCZGKLZKGEWQU-JTQLQIEISA-N 0 0 346.416 2.214 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC001329462027 1334655477 /nfs/dbraw/zinc/65/54/77/1334655477.db2.gz OYRRELLQNZGTFG-QGZVFWFLSA-N 0 0 339.395 2.013 10 10 EECERN [O-]c1c(CN2CCC([NH2+]C3CCOCC3)CC2)ccc(F)c1F ZINC001332024476 1335708048 /nfs/dbraw/zinc/70/80/48/1335708048.db2.gz HXKLUWLYSJORQB-UHFFFAOYSA-N 0 0 326.387 2.403 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001348778940 1337575518 /nfs/dbraw/zinc/57/55/18/1337575518.db2.gz YQDLCKDIQKNXJM-JEBQAFNWSA-N 0 0 343.471 2.023 10 10 EECERN CC1(C)CN(CC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000847356773 1337975741 /nfs/dbraw/zinc/97/57/41/1337975741.db2.gz UVBZXRSRVPMHOM-UHFFFAOYSA-N 0 0 333.501 2.198 10 10 EECERN CN(C)c1ccc(/C=C/C[NH2+][C@@H](Cc2ccncc2)C(=O)[O-])cc1 ZINC000848637703 1338734519 /nfs/dbraw/zinc/73/45/19/1338734519.db2.gz VZCFVNLITAPFIF-WHLIDYPQSA-N 0 0 325.412 2.446 10 10 EECERN CNC(=O)N[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001624819393 1352431799 /nfs/dbraw/zinc/43/17/99/1352431799.db2.gz LLYCOSUQZPCEEQ-ZDUSSCGKSA-N 0 0 346.456 2.299 10 10 EECERN Nc1cc(F)c(F)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001626699135 1352471097 /nfs/dbraw/zinc/47/10/97/1352471097.db2.gz XPRSQSAWTGHFGO-UHFFFAOYSA-N 0 0 347.365 2.314 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001629931584 1352560850 /nfs/dbraw/zinc/56/08/50/1352560850.db2.gz NIJGGQDZBIIEGM-UHFFFAOYSA-N 0 0 338.367 2.374 10 10 EECERN Cc1ccc(C2=NO[C@@H](C(=O)NCc3ccc(O)c(O)c3)C2)cc1 ZINC001631438193 1352583821 /nfs/dbraw/zinc/58/38/21/1352583821.db2.gz AHESSQHETLLOKY-QGZVFWFLSA-N 0 0 326.352 2.216 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCC(=O)Nc2cccc(F)c2)cc1 ZINC001631681942 1352587494 /nfs/dbraw/zinc/58/74/94/1352587494.db2.gz LLABJJLUOFDUQY-UHFFFAOYSA-N 0 0 343.318 2.357 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001634381866 1352626800 /nfs/dbraw/zinc/62/68/00/1352626800.db2.gz PKPNUPVSSSCLTK-UHFFFAOYSA-N 0 0 325.324 2.170 10 10 EECERN Cc1cnc2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)ccn12 ZINC001638348063 1352687674 /nfs/dbraw/zinc/68/76/74/1352687674.db2.gz OMPZXGQRSNJYAA-LLVKDONJSA-N 0 0 325.368 2.415 10 10 EECERN O=C(NCc1nc(C(F)F)no1)NCc1cc(Cl)ccc1O ZINC001638551070 1352689366 /nfs/dbraw/zinc/68/93/66/1352689366.db2.gz VXQMCKGKAUWASU-UHFFFAOYSA-N 0 0 332.694 2.366 10 10 EECERN O=C(NCc1c(O)cccc1O)C(=O)c1c[nH]c2cc(F)ccc12 ZINC001639292421 1352696378 /nfs/dbraw/zinc/69/63/78/1352696378.db2.gz BHOVBWDWCSMFQF-UHFFFAOYSA-N 0 0 328.299 2.217 10 10 EECERN COC(=O)[C@@]1(C(=O)NCc2cc(O)ccc2O)C[C@H]1c1ccccc1 ZINC001643884971 1352755252 /nfs/dbraw/zinc/75/52/52/1352755252.db2.gz DBXAHEMWMYWFCT-KXBFYZLASA-N 0 0 341.363 2.061 10 10 EECERN CC(C)(C)c1cc(C(=O)N2Cc3cccc(O)c3C2)nc2ncnn21 ZINC001644088152 1352756963 /nfs/dbraw/zinc/75/69/63/1352756963.db2.gz HUWVWLNISLUCAC-UHFFFAOYSA-N 0 0 337.383 2.283 10 10 EECERN O=C(NCc1ccnc(-c2ccccn2)n1)N1Cc2cccc(O)c2C1 ZINC001684976249 1358293694 /nfs/dbraw/zinc/29/36/94/1358293694.db2.gz UTYIVBYEOSYGEE-UHFFFAOYSA-N 0 0 347.378 2.470 10 10 EECERN COc1cc(OCC(=O)NCc2cc(C)ccc2O)ccc1[N+](=O)[O-] ZINC001167293750 757708258 /nfs/dbraw/zinc/70/82/58/757708258.db2.gz QXHALRUYNBXFKT-UHFFFAOYSA-N 0 0 346.339 2.313 10 10 EECERN CC(C)(C)OC(=O)CCCNC(=O)NCc1c(O)cccc1F ZINC000921134869 770978810 /nfs/dbraw/zinc/97/88/10/770978810.db2.gz RALKGWXXTSSSCO-UHFFFAOYSA-N 0 0 326.368 2.452 10 10 EECERN Cn1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(C(F)(F)F)n1 ZINC000181245309 775836886 /nfs/dbraw/zinc/83/68/86/775836886.db2.gz YIHXNCKVFWPYAM-HWKANZROSA-N 0 0 341.289 2.180 10 10 EECERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183464722 781008287 /nfs/dbraw/zinc/00/82/87/781008287.db2.gz ZMSHYBXXYWFDDQ-VIFPVBQESA-N 0 0 331.328 2.070 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 ZINC000906316859 783836933 /nfs/dbraw/zinc/83/69/33/783836933.db2.gz HUMPHYIZTKWCPW-CXAGYDPISA-N 0 0 336.407 2.094 10 10 EECERN Cc1cc(=O)[nH]c(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000816654020 784171221 /nfs/dbraw/zinc/17/12/21/784171221.db2.gz QMQLAOPOJUVROC-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](CC)O1 ZINC000817123875 784520213 /nfs/dbraw/zinc/52/02/13/784520213.db2.gz IYUMCEVMNHHDHJ-PHIMTYICSA-N 0 0 335.360 2.320 10 10 EECERN C[C@H](NC(=O)/C=C\[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000819165889 785441024 /nfs/dbraw/zinc/44/10/24/785441024.db2.gz GFPDRAYYXOVLSC-VFGATPKVSA-N 0 0 330.428 2.436 10 10 EECERN O=C(/C=C\[C@@H]1CCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000819300369 785490790 /nfs/dbraw/zinc/49/07/90/785490790.db2.gz ASVUYGWGAZQRKN-FQQSSWHASA-N 0 0 344.455 2.247 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C)nc(C)n1 ZINC000819697078 785645246 /nfs/dbraw/zinc/64/52/46/785645246.db2.gz OFICYFMRZYQOQL-UHFFFAOYSA-N 0 0 343.383 2.005 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnc(C)c3)C2)cc1 ZINC000822269821 787100660 /nfs/dbraw/zinc/10/06/60/787100660.db2.gz IPTYXUKUEOJVQN-OAHLLOKOSA-N 0 0 326.400 2.221 10 10 EECERN CCOC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000822688380 787340468 /nfs/dbraw/zinc/34/04/68/787340468.db2.gz OWINPDUFPYRANR-UHFFFAOYSA-N 0 0 336.407 2.238 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000830535432 787671037 /nfs/dbraw/zinc/67/10/37/787671037.db2.gz SPQHVOWIXCUVDX-CZUORRHYSA-N 0 0 326.462 2.048 10 10 EECERN C[C@@H]1[C@@H](C)N(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)C(=O)N1C ZINC000912003178 787889761 /nfs/dbraw/zinc/88/97/61/787889761.db2.gz DCXCKPAZVPMHAP-BBBLOLIVSA-N 0 0 348.424 2.392 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(=O)[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000823834650 787955848 /nfs/dbraw/zinc/95/58/48/787955848.db2.gz LQJUZPIWYYZKRJ-CQSZACIVSA-N 0 0 341.411 2.044 10 10 EECERN COc1cc(N(C)C[C@@H]2CN(C3CC3)C(=O)O2)cc(OC)c1OC ZINC000844299137 788993472 /nfs/dbraw/zinc/99/34/72/788993472.db2.gz DPZWJPRBBZUKHF-CYBMUJFWSA-N 0 0 336.388 2.132 10 10 EECERN CCc1ccc(NC(=O)C(=O)NCc2cccc(OC)c2O)cc1F ZINC000164226115 789110692 /nfs/dbraw/zinc/11/06/92/789110692.db2.gz FSHSAHKHXYPQRY-UHFFFAOYSA-N 0 0 346.358 2.357 10 10 EECERN COCCCOC1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000176498401 795179905 /nfs/dbraw/zinc/17/99/05/795179905.db2.gz YUZLSYRTWKLOMH-UHFFFAOYSA-N 0 0 343.427 2.367 10 10 EECERN C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715716227 795484301 /nfs/dbraw/zinc/48/43/01/795484301.db2.gz DJUYZBKODMHJSV-RDDDGLTNSA-N 0 0 331.185 2.051 10 10 EECERN C/C=C\[C@@H](O)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000901056076 796425295 /nfs/dbraw/zinc/42/52/95/796425295.db2.gz CULLOADWWAUOCL-HSBHDXMMSA-N 0 0 328.206 2.440 10 10 EECERN C[C@@H](Sc1ccccc1C(=O)NCc1c(O)cccc1F)C(N)=O ZINC001178413836 799467478 /nfs/dbraw/zinc/46/74/78/799467478.db2.gz ZELVAPAHSBEUNB-SNVBAGLBSA-N 0 0 348.399 2.427 10 10 EECERN COc1cccc(CNC(=O)c2ccc(N(C)C(C)=O)cc2)c1O ZINC000787445115 807121369 /nfs/dbraw/zinc/12/13/69/807121369.db2.gz JXOWJVWFRRBALL-UHFFFAOYSA-N 0 0 328.368 2.314 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000788535317 807583737 /nfs/dbraw/zinc/58/37/37/807583737.db2.gz LULOFLDLJUWQGZ-YGRLFVJLSA-N 0 0 330.222 2.093 10 10 EECERN COc1ccc(O)c(CNC(=O)C(=O)Nc2nc(C(C)C)cs2)c1 ZINC000789499897 808028887 /nfs/dbraw/zinc/02/88/87/808028887.db2.gz FIXRWCDLFBJCPA-UHFFFAOYSA-N 0 0 349.412 2.236 10 10 EECERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000789862288 808249550 /nfs/dbraw/zinc/24/95/50/808249550.db2.gz HUZKQRPDSRGIKW-GRYCIOLGSA-N 0 0 340.445 2.270 10 10 EECERN CSCCONC(=O)NCc1cc(Br)ccc1O ZINC000805408683 811294522 /nfs/dbraw/zinc/29/45/22/811294522.db2.gz BIBIQQMDKOYONE-UHFFFAOYSA-N 0 0 335.223 2.249 10 10 EECERN COc1ccc(N2CCCN(C(=O)COc3ccsn3)CC2)cc1 ZINC001441931390 1096119896 /nfs/dbraw/zinc/11/98/96/1096119896.db2.gz JMECJXIZLBVLQB-UHFFFAOYSA-N 0 0 347.440 2.269 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H](O)c1ccc(Cl)cc1F ZINC001451768031 1097911732 /nfs/dbraw/zinc/91/17/32/1097911732.db2.gz MRGIGFBGTFWIKF-AWEZNQCLSA-N 0 0 325.723 2.240 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1nscc1Br ZINC001455353026 1108471129 /nfs/dbraw/zinc/47/11/29/1108471129.db2.gz KOMBLPIYLDBYLP-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN Cc1cc(CC(=O)N2CC(=O)N(C)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001459119442 1110082347 /nfs/dbraw/zinc/08/23/47/1110082347.db2.gz YXOHRHKLCQFVHO-HNNXBMFYSA-N 0 0 339.439 2.326 10 10 EECERN CC1(C)C(=O)Nc2ccc(C(=O)NCc3ccc(O)cc3O)cc21 ZINC001469161322 1110486127 /nfs/dbraw/zinc/48/61/27/1110486127.db2.gz YADWRWHYKHOPAU-UHFFFAOYSA-N 0 0 326.352 2.258 10 10 EECERN NC(=O)N[C@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC001469874348 1110498291 /nfs/dbraw/zinc/49/82/91/1110498291.db2.gz LTGDFIFYSWUFBU-CQSZACIVSA-N 0 0 347.802 2.462 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001471661741 1110527781 /nfs/dbraw/zinc/52/77/81/1110527781.db2.gz AGIXIKVBFBILPO-RYUDHWBXSA-N 0 0 333.306 2.462 10 10 EECERN COCCOc1cc(OC)ccc1C(=O)NCc1cc(O)ccc1O ZINC001471661098 1110527788 /nfs/dbraw/zinc/52/77/88/1110527788.db2.gz IECNWAHNIQJGJA-UHFFFAOYSA-N 0 0 347.367 2.062 10 10 EECERN COC(=O)[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001478831957 1110658116 /nfs/dbraw/zinc/65/81/16/1110658116.db2.gz MWZIFPSFTIFWGM-IYBDPMFKSA-N 0 0 345.443 2.380 10 10 EECERN CCCCC(=O)NC[C@@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001505615897 1114087233 /nfs/dbraw/zinc/08/72/33/1114087233.db2.gz WOAMHHPTMMJLTK-AWEZNQCLSA-N 0 0 345.403 2.370 10 10 EECERN Cc1ncccc1/C=C\C(=O)N(C)c1ccccc1S(C)(=O)=O ZINC001524281940 1120039015 /nfs/dbraw/zinc/03/90/15/1120039015.db2.gz NRGOCMHWUXFAJT-KHPPLWFESA-N 0 0 330.409 2.470 10 10 EECERN COCc1nn(C)cc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525113328 1120269420 /nfs/dbraw/zinc/26/94/20/1120269420.db2.gz BEROVICZIIRWGL-UHFFFAOYSA-N 0 0 342.443 2.439 10 10 EECERN COC(=O)c1cccc(OC)c1N(C)C(=O)/C=C(\C)c1cnccn1 ZINC001538790369 1124036617 /nfs/dbraw/zinc/03/66/17/1124036617.db2.gz COBSDJBGFCHOHO-ZRDIBKRKSA-N 0 0 341.367 2.338 10 10 EECERN NC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001540678151 1124089687 /nfs/dbraw/zinc/08/96/87/1124089687.db2.gz HGFCNMOQDXBEFE-HNNXBMFYSA-N 0 0 342.376 2.269 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC1CCN(c2ccccc2)CC1 ZINC001543778805 1124134863 /nfs/dbraw/zinc/13/48/63/1124134863.db2.gz IZDKBBYDQKOUEN-UHFFFAOYSA-N 0 0 326.396 2.426 10 10 EECERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC1CCCC1 ZINC001545163397 1124181827 /nfs/dbraw/zinc/18/18/27/1124181827.db2.gz FDRCVHZMPZQWNJ-JTQLQIEISA-N 0 0 332.360 2.453 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@]3(C)CC(C)=NO3)CC2)cc1F ZINC001545608495 1124198413 /nfs/dbraw/zinc/19/84/13/1124198413.db2.gz VQXGXHSRPKAWBZ-QGZVFWFLSA-N 0 0 335.379 2.038 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cccc(O)c1 ZINC000101629730 529988620 /nfs/dbraw/zinc/98/86/20/529988620.db2.gz XBLGMGPXPIRYCR-UHFFFAOYSA-N 0 0 340.423 2.430 10 10 EECERN Cn1nccc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000046942239 462722606 /nfs/dbraw/zinc/72/26/06/462722606.db2.gz QKSDCTBOADOZIE-MRXNPFEDSA-N 0 0 344.415 2.017 10 10 EECERN COc1cccc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)c1O ZINC000155428678 462890779 /nfs/dbraw/zinc/89/07/79/462890779.db2.gz JTLUYWCHQUXOEO-ZDUSSCGKSA-N 0 0 326.352 2.143 10 10 EECERN CCOc1cccc(CN2Cc3ccccc3C[C@H]2C(N)=O)c1O ZINC000119792203 462927713 /nfs/dbraw/zinc/92/77/13/462927713.db2.gz CMUIVWNHBLULJN-INIZCTEOSA-N 0 0 326.396 2.203 10 10 EECERN CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000042385212 463563080 /nfs/dbraw/zinc/56/30/80/463563080.db2.gz WDGYACZRKJYVLX-MRXNPFEDSA-N 0 0 331.460 2.263 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)Cn1cncn1 ZINC000283554711 463923452 /nfs/dbraw/zinc/92/34/52/463923452.db2.gz FIPLZYSLJQOOCY-AWEZNQCLSA-N 0 0 331.420 2.384 10 10 EECERN C[C@@H]1C[C@H](S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000289153015 464068687 /nfs/dbraw/zinc/06/86/87/464068687.db2.gz NEZPLRQZDWUAFX-CZUORRHYSA-N 0 0 326.462 2.082 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@@H](C)c3cn[nH]c3)CC2)cc1F ZINC000270288438 464245531 /nfs/dbraw/zinc/24/55/31/464245531.db2.gz NBVMJGFNRUIRSB-LBPRGKRZSA-N 0 0 347.394 2.150 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1F ZINC000270782353 464267506 /nfs/dbraw/zinc/26/75/06/464267506.db2.gz KHRNBDMDAUDCNR-UHFFFAOYSA-N 0 0 349.366 2.244 10 10 EECERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293590693 464413534 /nfs/dbraw/zinc/41/35/34/464413534.db2.gz IKORWGBDLQZUQM-GFCCVEGCSA-N 0 0 340.786 2.106 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)cc1F ZINC000189188607 464453932 /nfs/dbraw/zinc/45/39/32/464453932.db2.gz VWKLUCMYIYTGRE-DZGCQCFKSA-N 0 0 336.407 2.298 10 10 EECERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000189349403 464482803 /nfs/dbraw/zinc/48/28/03/464482803.db2.gz TWTMUQFJBQUURU-DZGCQCFKSA-N 0 0 349.362 2.387 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000191761422 464825859 /nfs/dbraw/zinc/82/58/59/464825859.db2.gz MLZWPNUSROGLER-OAHLLOKOSA-N 0 0 325.412 2.445 10 10 EECERN Cc1nc([C@@H](NC(=O)c2cccc(O)c2O)c2ccccc2F)no1 ZINC000193134547 534553707 /nfs/dbraw/zinc/55/37/07/534553707.db2.gz RDQBUYFEQNXQQR-AWEZNQCLSA-N 0 0 343.314 2.448 10 10 EECERN O=[N+]([O-])c1cnccc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000727431585 576426971 /nfs/dbraw/zinc/42/69/71/576426971.db2.gz SOWWSHPOUDQNON-UHFFFAOYSA-N 0 0 346.362 2.124 10 10 EECERN COC(=O)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000772299201 577262618 /nfs/dbraw/zinc/26/26/18/577262618.db2.gz CKLJFNMNKHXZHP-OAHLLOKOSA-N 0 0 346.408 2.425 10 10 EECERN COc1ccccc1NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000772776340 577297247 /nfs/dbraw/zinc/29/72/47/577297247.db2.gz QSPBRODPODZVLW-CLFYSBASSA-N 0 0 343.335 2.302 10 10 EECERN O=C(NCCOCC1CCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000765227146 577497622 /nfs/dbraw/zinc/49/76/22/577497622.db2.gz HIKLHIRIEKMRQQ-UHFFFAOYSA-N 0 0 347.459 2.139 10 10 EECERN O=C(/C=C\c1ccncn1)NCc1cccc(Br)c1O ZINC000765725997 577506157 /nfs/dbraw/zinc/50/61/57/577506157.db2.gz BOIRJBWENIGJJD-PLNGDYQASA-N 0 0 334.173 2.274 10 10 EECERN COC(=O)Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000761631995 577686972 /nfs/dbraw/zinc/68/69/72/577686972.db2.gz MSXQXOXRISFCJM-UHFFFAOYSA-N 0 0 344.367 2.178 10 10 EECERN O=C(CCOCC1CC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000751378562 577751292 /nfs/dbraw/zinc/75/12/92/577751292.db2.gz KVAIMWBEHMDDLA-UHFFFAOYSA-N 0 0 346.471 2.328 10 10 EECERN COc1ccc2c(c1)CCCN2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000754642927 577809951 /nfs/dbraw/zinc/80/99/51/577809951.db2.gz NCFIMJARVXIXRU-AWEZNQCLSA-N 0 0 338.473 2.119 10 10 EECERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000755066347 577818937 /nfs/dbraw/zinc/81/89/37/577818937.db2.gz YUOXEGHFBMNPRF-VIFPVBQESA-N 0 0 347.371 2.076 10 10 EECERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1O ZINC000748349961 577959867 /nfs/dbraw/zinc/95/98/67/577959867.db2.gz NPEMXSFJQMGRAL-UHFFFAOYSA-N 0 0 339.800 2.136 10 10 EECERN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c(C)n1-c1ccccn1 ZINC000124176618 685370790 /nfs/dbraw/zinc/37/07/90/685370790.db2.gz GTRLVDMQHPRKGI-MRXNPFEDSA-N 0 0 340.427 2.182 10 10 EECERN COCc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000120684968 681417949 /nfs/dbraw/zinc/41/79/49/681417949.db2.gz ZQAIZUMOMMROHV-UHFFFAOYSA-N 0 0 348.374 2.332 10 10 EECERN CC[N@H+](Cc1cc(C)cc(Br)c1[O-])[C@H]1CCNC1=O ZINC000799738032 689476087 /nfs/dbraw/zinc/47/60/87/689476087.db2.gz RFTBJPOVGYCQDF-LBPRGKRZSA-N 0 0 327.222 2.174 10 10 EECERN COC(=O)c1cc(OCc2nnc3n2CCCC3)ccc1N(C)C ZINC000871793222 1197906725 /nfs/dbraw/zinc/90/67/25/1197906725.db2.gz HHZIGDHKDZXUOZ-UHFFFAOYSA-N 0 0 330.388 2.046 10 10 EECERN CCO[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC000864863365 1197972420 /nfs/dbraw/zinc/97/24/20/1197972420.db2.gz PJHNHLBVRBOGNL-AEFFLSMTSA-N 0 0 332.444 2.345 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000864931147 1198005068 /nfs/dbraw/zinc/00/50/68/1198005068.db2.gz JWVRFFGKKAZYJT-AWEZNQCLSA-N 0 0 343.402 2.477 10 10 EECERN CN1C(=O)/C(=C/c2cn(C[C@H]3CCOC3)nn2)c2cc(Cl)ccc21 ZINC000865224578 1198130600 /nfs/dbraw/zinc/13/06/00/1198130600.db2.gz TVMFHZYYYFNSEV-LBMJDHPKSA-N 0 0 344.802 2.485 10 10 EECERN C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)[C@H](C)O1 ZINC000865315622 1198165807 /nfs/dbraw/zinc/16/58/07/1198165807.db2.gz PCHNONSJCOKMDS-GBIKHYSHSA-N 0 0 338.791 2.376 10 10 EECERN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203337 1201098733 /nfs/dbraw/zinc/09/87/33/1201098733.db2.gz XYTDTINPRAYADE-CYBMUJFWSA-N 0 0 334.441 2.182 10 10 EECERN O=S(=O)(c1ccnc(N2Cc3cccc(O)c3C2)c1)N1CCCC1 ZINC000866116887 1201437957 /nfs/dbraw/zinc/43/79/57/1201437957.db2.gz DGIMMTLQDCTOJC-UHFFFAOYSA-N 0 0 345.424 2.092 10 10 EECERN COc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n(C)n1 ZINC000881249602 1201665472 /nfs/dbraw/zinc/66/54/72/1201665472.db2.gz OIWFKKGNLOERIS-UHFFFAOYSA-N 0 0 327.388 2.127 10 10 EECERN C[C@H](NC(=O)NCC(=O)N1CCc2ccccc21)c1ccccc1O ZINC000868194808 1201761493 /nfs/dbraw/zinc/76/14/93/1201761493.db2.gz ZMLQYGYIWYMEQG-ZDUSSCGKSA-N 0 0 339.395 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@H](SC)C3)C2)cc1 ZINC000868762260 1201874509 /nfs/dbraw/zinc/87/45/09/1201874509.db2.gz MPZSDEDPAVVSDP-XJKCOSOUSA-N 0 0 335.473 2.467 10 10 EECERN CC(C)C[C@]1(C(=O)NCc2ccc3cccnc3c2O)CCNC1=O ZINC000868937571 1201909113 /nfs/dbraw/zinc/90/91/13/1201909113.db2.gz LAGISPBIWSBSFX-LJQANCHMSA-N 0 0 341.411 2.109 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cncc(N2CCCC2)n1 ZINC000868938878 1201909478 /nfs/dbraw/zinc/90/94/78/1201909478.db2.gz YTXQZMDOMZKGFG-UHFFFAOYSA-N 0 0 349.394 2.261 10 10 EECERN CNC(=O)Cc1nc(CN(C)c2ccc(OC)cc2OC)cs1 ZINC000131828431 1202064872 /nfs/dbraw/zinc/06/48/72/1202064872.db2.gz OLSHXSCBISHBMX-UHFFFAOYSA-N 0 0 335.429 2.085 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC1(C(=O)Nc2ccccc2)CC1 ZINC000779350190 1210026833 /nfs/dbraw/zinc/02/68/33/1210026833.db2.gz BGNIJPFQYXGYFO-VQHVLOKHSA-N 0 0 338.363 2.399 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000795586416 1214388936 /nfs/dbraw/zinc/38/89/36/1214388936.db2.gz YYADMUURZUQNJP-DGCLKSJQSA-N 0 0 344.249 2.198 10 10 EECERN O[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093611855 1214909747 /nfs/dbraw/zinc/90/97/47/1214909747.db2.gz SQWGAEYDJFQSIR-HNNXBMFYSA-N 0 0 348.340 2.161 10 10 EECERN CCC/C=C\[C@H](O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000900386787 1234301464 /nfs/dbraw/zinc/30/14/64/1234301464.db2.gz GPRNBPXDVBYMLH-YMTSHVIYSA-N 0 0 332.444 2.418 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)/C=C(/C)CN1CCOCC1 ZINC000901051238 1235163207 /nfs/dbraw/zinc/16/32/07/1235163207.db2.gz AVSGGOBCYFHRFD-SSZFMOIBSA-N 0 0 332.444 2.409 10 10 EECERN COC(=O)c1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)nc1 ZINC000803399923 1240285192 /nfs/dbraw/zinc/28/51/92/1240285192.db2.gz KLVKAQUHUARINC-XVNBXDOJSA-N 0 0 329.308 2.036 10 10 EECERN CO[C@H](CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000827473661 1248158697 /nfs/dbraw/zinc/15/86/97/1248158697.db2.gz LAEPXBCBJZIPHS-BLLLJJGKSA-N 0 0 326.462 2.158 10 10 EECERN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001193690073 1282673867 /nfs/dbraw/zinc/67/38/67/1282673867.db2.gz PIOWZMFSMFLFQE-LBPRGKRZSA-N 0 0 348.424 2.414 10 10 EECERN C[C@@]12COC[C@H]1CN(C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000851986478 1291943288 /nfs/dbraw/zinc/94/32/88/1291943288.db2.gz ASSILAFGMSQDRP-VQIMIIECSA-N 0 0 329.444 2.465 10 10 EECERN O=C(NCCO[C@H]1CC1(F)F)NCc1ccc(N2CC=CC2)cc1 ZINC000852138096 1292008249 /nfs/dbraw/zinc/00/82/49/1292008249.db2.gz GSRKUEXVSZMOGB-HNNXBMFYSA-N 0 0 337.370 2.286 10 10 EECERN COC(=O)C12CC(C1)CN2Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000852444356 1292114589 /nfs/dbraw/zinc/11/45/89/1292114589.db2.gz VHCWMXOJLQYQQG-UHFFFAOYSA-N 0 0 344.455 2.439 10 10 EECERN COC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)C1CCOCC1 ZINC000852468498 1292120865 /nfs/dbraw/zinc/12/08/65/1292120865.db2.gz PIRGJCDOEOYGSM-SFHVURJKSA-N 0 0 349.475 2.302 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000853964028 1292558523 /nfs/dbraw/zinc/55/85/23/1292558523.db2.gz GCVKOHONLZFQRD-YEDYPFRDSA-N 0 0 334.372 2.236 10 10 EECERN CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854303404 1292713607 /nfs/dbraw/zinc/71/36/07/1292713607.db2.gz WJBMVLGKXODALV-HRCADAONSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(OC)cn3)C2)cc1 ZINC000855222963 1293116341 /nfs/dbraw/zinc/11/63/41/1293116341.db2.gz AAQAEUNGOLBREA-HNNXBMFYSA-N 0 0 341.411 2.036 10 10 EECERN CCCn1nccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224011 1293116894 /nfs/dbraw/zinc/11/68/94/1293116894.db2.gz DMSUFYDYJXUUOL-CQSZACIVSA-N 0 0 328.416 2.310 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3cncs3)C2)cc1 ZINC000855225326 1293117372 /nfs/dbraw/zinc/11/73/72/1293117372.db2.gz JZEZYLCJMOXAIO-CYBMUJFWSA-N 0 0 331.441 2.479 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnn4ccccc34)C2)cc1 ZINC000855232731 1293121950 /nfs/dbraw/zinc/12/19/50/1293121950.db2.gz XIJDSQXFNYTTQA-AWEZNQCLSA-N 0 0 336.395 2.352 10 10 EECERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC(=O)CS2)C1 ZINC000855331522 1293175443 /nfs/dbraw/zinc/17/54/43/1293175443.db2.gz XOQWXIMJJAMGOW-SFYZADRCSA-N 0 0 337.319 2.267 10 10 EECERN C/C=C\C[C@@H]1CCC[N@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000863477282 1296300575 /nfs/dbraw/zinc/30/05/75/1296300575.db2.gz YTUGRHKQTMRNQS-ZZKXABKFSA-N 0 0 330.388 2.311 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC3(CC3)CC2)c1 ZINC000863642737 1296360587 /nfs/dbraw/zinc/36/05/87/1296360587.db2.gz KRVYXUZMEFINIB-UHFFFAOYSA-N 0 0 338.429 2.170 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@]12C[C@H]1CCCC2 ZINC001119810943 1309216432 /nfs/dbraw/zinc/21/64/32/1309216432.db2.gz VODKJOQEPUDABU-UZLBHIALSA-N 0 0 343.471 2.374 10 10 EECERN COc1ccc(N2CCN(CN3C[C@H]4CCC[C@@H]4C3=O)CC2)cc1F ZINC000840027565 1315277367 /nfs/dbraw/zinc/27/73/67/1315277367.db2.gz ZJSPFVHZLZAQSV-ZBFHGGJFSA-N 0 0 347.434 2.172 10 10 EECERN NC(=O)CCC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001153311757 1316808908 /nfs/dbraw/zinc/80/89/08/1316808908.db2.gz YUVNZPKVEMNWGV-UHFFFAOYSA-N 0 0 348.424 2.430 10 10 EECERN Cc1nnc(-c2ccc(C(=O)NCc3cc(O)ccc3O)cc2)o1 ZINC001153886133 1316908394 /nfs/dbraw/zinc/90/83/94/1316908394.db2.gz XLXADLVXDXRNDS-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CCO)c1ccccc1F ZINC001163033774 1321020085 /nfs/dbraw/zinc/02/00/85/1321020085.db2.gz SHBQRLKMJGWYNI-PMGBHYCQSA-N 0 0 331.343 2.490 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)COCc3ccncc3)C2)cc1 ZINC001261773440 1322175938 /nfs/dbraw/zinc/17/59/38/1322175938.db2.gz DJDLWKPOUTYRDU-MRXNPFEDSA-N 0 0 341.411 2.002 10 10 EECERN O=C(Cc1cccc(C(F)(F)F)n1)NCc1cccc(O)c1O ZINC001303195189 1331348413 /nfs/dbraw/zinc/34/84/13/1331348413.db2.gz RWAKEAXQSNKYAI-UHFFFAOYSA-N 0 0 326.274 2.371 10 10 EECERN O=C(NCc1cc(O)ccc1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001303226061 1331350314 /nfs/dbraw/zinc/35/03/14/1331350314.db2.gz UXWSXQYPTYPUIO-UHFFFAOYSA-N 0 0 338.266 2.414 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@]34CCOC4)C2)cc1 ZINC001325910794 1333992224 /nfs/dbraw/zinc/99/22/24/1333992224.db2.gz LGIBWEFIJGQLBA-HNAYVOBHSA-N 0 0 345.443 2.096 10 10 EECERN C[C@@H](NC(=O)C(=O)NC[C@@H](C)CC(F)F)c1ccc(N(C)C)cc1 ZINC001326423313 1334090578 /nfs/dbraw/zinc/09/05/78/1334090578.db2.gz SDXOZWBJMUOSGB-NWDGAFQWSA-N 0 0 341.402 2.337 10 10 EECERN CCCc1n[nH]cc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001329350709 1334632364 /nfs/dbraw/zinc/63/23/64/1334632364.db2.gz FOWFUUXHUSMLME-CYBMUJFWSA-N 0 0 328.416 2.380 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCSC(C)(C)C2)cc1 ZINC001333759305 1336125223 /nfs/dbraw/zinc/12/52/23/1336125223.db2.gz SZZZIRTYVPPBIN-CQSZACIVSA-N 0 0 349.500 2.159 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001340921406 1337266294 /nfs/dbraw/zinc/26/62/94/1337266294.db2.gz SPCJAYGVARNCPQ-RYQLBKOJSA-N 0 0 341.455 2.208 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001341026327 1337275993 /nfs/dbraw/zinc/27/59/93/1337275993.db2.gz WCBWKLONMDDMTA-CXAGYDPISA-N 0 0 329.444 2.148 10 10 EECERN CO[C@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000848557512 1338721034 /nfs/dbraw/zinc/72/10/34/1338721034.db2.gz FJVZTTOOPCHYGL-SDBXPKJASA-N 0 0 336.201 2.342 10 10 EECERN C[C@H](CNC(=O)C1=CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001358226527 1339035150 /nfs/dbraw/zinc/03/51/50/1339035150.db2.gz LZGRFEQXHMAALR-LLVKDONJSA-N 0 0 343.387 2.194 10 10 EECERN O=C(N[C@H](CO)Cc1ccncc1)c1cc2cc(O)c(O)cc2s1 ZINC001616775415 1352332099 /nfs/dbraw/zinc/33/20/99/1352332099.db2.gz GIYSPMWDHSKWDS-LBPRGKRZSA-N 0 0 344.392 2.041 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001556157695 1342423319 /nfs/dbraw/zinc/42/33/19/1342423319.db2.gz HXJGZJYBVAABSF-BONVTDFDSA-N 0 0 331.372 2.033 10 10 EECERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001584521932 1348739168 /nfs/dbraw/zinc/73/91/68/1348739168.db2.gz HTAXPTDSBIZDNC-ZDUSSCGKSA-N 0 0 348.443 2.040 10 10 EECERN Cc1noc(-c2ccc(C(=O)NCc3cccc(O)c3O)cc2)n1 ZINC001593739381 1349872101 /nfs/dbraw/zinc/87/21/01/1349872101.db2.gz NHXUNCKNGHZVAH-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(CCc1nc(-c2ccccc2)no1)NCc1cc(O)ccc1O ZINC001593867631 1349873193 /nfs/dbraw/zinc/87/31/93/1349873193.db2.gz AUIVDCOOJOZJPX-UHFFFAOYSA-N 0 0 339.351 2.397 10 10 EECERN CC[C@H](C)OCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001597567513 1349927706 /nfs/dbraw/zinc/92/77/06/1349927706.db2.gz QDWKFBRYMOTJMP-NSHDSACASA-N 0 0 343.807 2.362 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001597579418 1349928142 /nfs/dbraw/zinc/92/81/42/1349928142.db2.gz MSALCNOJBCDFJL-UHFFFAOYSA-N 0 0 345.305 2.492 10 10 EECERN Cc1ccc(C(=O)N[C@H](c2nccn2C)C(F)(F)F)c(O)c1O ZINC001608097582 1351624551 /nfs/dbraw/zinc/62/45/51/1351624551.db2.gz ZTNFVBSNPCFHBC-LLVKDONJSA-N 0 0 329.278 2.173 10 10 EECERN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1ccc(O)c(O)c1 ZINC001622753311 1352388730 /nfs/dbraw/zinc/38/87/30/1352388730.db2.gz QIRMEYGOKKZEGJ-UHFFFAOYSA-N 0 0 334.303 2.047 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCOc2c(F)cccc21 ZINC001622753491 1352388849 /nfs/dbraw/zinc/38/88/49/1352388849.db2.gz YIACUFBOTGMLPU-CYBMUJFWSA-N 0 0 331.343 2.462 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001630935890 1352574414 /nfs/dbraw/zinc/57/44/14/1352574414.db2.gz OBJJATUCPDZEQY-UHFFFAOYSA-N 0 0 328.324 2.133 10 10 EECERN COc1cc(OC)c(C(=O)N(C)Cc2ccccc2O)cc1C=O ZINC001631155047 1352578528 /nfs/dbraw/zinc/57/85/28/1352578528.db2.gz NRPCZRDCDVTVNC-UHFFFAOYSA-N 0 0 329.352 2.494 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(NC(C)=O)cn2)c1 ZINC001631542098 1352586226 /nfs/dbraw/zinc/58/62/26/1352586226.db2.gz GPGQDRXAOCYIQX-JTQLQIEISA-N 0 0 329.356 2.245 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2cc(Cl)nnc2C1 ZINC001639963588 1352703428 /nfs/dbraw/zinc/70/34/28/1352703428.db2.gz NZJKERBDFZPFQN-RQOWECAXSA-N 0 0 331.759 2.139 10 10 EECERN CCc1nc(-c2ccc(C(=O)NCc3cc(O)ccc3O)cc2)n[nH]1 ZINC001651222101 1354045092 /nfs/dbraw/zinc/04/50/92/1354045092.db2.gz ADGNFSBCQQZJSP-UHFFFAOYSA-N 0 0 338.367 2.375 10 10 EECERN Cc1cc(-n2cccn2)ccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001653696944 1354130890 /nfs/dbraw/zinc/13/08/90/1354130890.db2.gz YUFHWLLMZXEFNO-UHFFFAOYSA-N 0 0 337.379 2.451 10 10 EECERN CCc1cc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)ccc1C ZINC000180650298 774973587 /nfs/dbraw/zinc/97/35/87/774973587.db2.gz BSRWVCCYFACBIZ-UHFFFAOYSA-N 0 0 342.395 2.266 10 10 EECERN COc1ccc(N2CCN(Cc3cn(CC4CC4)nn3)CC2)cc1F ZINC000828031951 781224076 /nfs/dbraw/zinc/22/40/76/781224076.db2.gz RPCOQTPIMLAZKM-UHFFFAOYSA-N 0 0 345.422 2.158 10 10 EECERN FC(F)C[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000809712475 783328642 /nfs/dbraw/zinc/32/86/42/783328642.db2.gz OHACLGAVGIRVCE-MRXNPFEDSA-N 0 0 326.387 2.379 10 10 EECERN COCCn1nnc2c1CCN(Cc1cc(Cl)cc(C)c1O)C2 ZINC000816636854 784160598 /nfs/dbraw/zinc/16/05/98/784160598.db2.gz JOCGEDZRHICJTK-UHFFFAOYSA-N 0 0 336.823 2.150 10 10 EECERN C/C=C\[C@@H](O)C(=O)Nc1ccc(N2CCC(O)CC2)cc1OCCC ZINC000907762625 784846029 /nfs/dbraw/zinc/84/60/29/784846029.db2.gz DRRSBGJLEQQVLH-MAVJXHJTSA-N 0 0 348.443 2.312 10 10 EECERN CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819590262 785599267 /nfs/dbraw/zinc/59/92/67/785599267.db2.gz JYQKZCYWTHYMRZ-QGTPRVQTSA-N 0 0 332.444 2.453 10 10 EECERN C[C@@H]1CN(c2ccc(CNc3cnc(CO)cn3)cc2F)C[C@@H](C)O1 ZINC000820635944 785998751 /nfs/dbraw/zinc/99/87/51/785998751.db2.gz ZUIWUFVPWBJMCM-CHWSQXEVSA-N 0 0 346.406 2.334 10 10 EECERN CN1CCO[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708110733 786739893 /nfs/dbraw/zinc/73/98/93/786739893.db2.gz FYJMMWBUTMVSRA-NSHDSACASA-N 0 0 349.656 2.228 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccn2nccc2n1 ZINC000910557826 786897870 /nfs/dbraw/zinc/89/78/70/786897870.db2.gz LDIPFDYRGVLUMU-CQSZACIVSA-N 0 0 337.427 2.465 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2ccnc3c2CC(=O)N3)cc1 ZINC000822607381 787284390 /nfs/dbraw/zinc/28/43/90/787284390.db2.gz HVNSHVJPMVREAX-UHFFFAOYSA-N 0 0 338.411 2.352 10 10 EECERN Cc1nnccc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000822584062 787302543 /nfs/dbraw/zinc/30/25/43/787302543.db2.gz CBALZBFEPAEAQJ-UHFFFAOYSA-N 0 0 341.415 2.068 10 10 EECERN CCC/C=C/[C@H](O)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276854 787347852 /nfs/dbraw/zinc/34/78/52/787347852.db2.gz OZKMAKWFBQNYLT-IJVDXJMESA-N 0 0 332.444 2.355 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000911308591 787369565 /nfs/dbraw/zinc/36/95/65/787369565.db2.gz JZODBLRWQDPKKK-OAHLLOKOSA-N 0 0 349.427 2.489 10 10 EECERN COC(OC)[C@@H](C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000922913311 788318679 /nfs/dbraw/zinc/31/86/79/788318679.db2.gz SYLDZVQDTNOLAR-ZIAGYGMSSA-N 0 0 337.464 2.299 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)NCC3CSC3)C2)cc1 ZINC000922950118 788425146 /nfs/dbraw/zinc/42/51/46/788425146.db2.gz CPIQGSJVPYIWSY-CYBMUJFWSA-N 0 0 335.473 2.184 10 10 EECERN CN(C)c1ccc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1F ZINC000825202310 788496925 /nfs/dbraw/zinc/49/69/25/788496925.db2.gz QSJGUNMZZOUPFE-CVEARBPZSA-N 0 0 326.437 2.043 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000921519548 788816371 /nfs/dbraw/zinc/81/63/71/788816371.db2.gz MOWGRNPIPGNIJC-OAHLLOKOSA-N 0 0 349.406 2.264 10 10 EECERN COC[C@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000923186119 789082656 /nfs/dbraw/zinc/08/26/56/789082656.db2.gz IAPCCUUMACGCMY-HOTGVXAUSA-N 0 0 349.475 2.492 10 10 EECERN COc1ccc(N(C)CCN(C)CN2C[C@@H]3CCC[C@H]3C2=O)cc1 ZINC000844725508 789329690 /nfs/dbraw/zinc/32/96/90/789329690.db2.gz LCJAJMSGLGMELV-MAUKXSAKSA-N 0 0 331.460 2.279 10 10 EECERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000255329012 789723774 /nfs/dbraw/zinc/72/37/74/789723774.db2.gz UFXSPXLYDWURHZ-GFCCVEGCSA-N 0 0 342.399 2.080 10 10 EECERN COc1ccc(N(C)CCN(C)c2nccn(C(F)F)c2=O)cc1 ZINC000845668336 789914486 /nfs/dbraw/zinc/91/44/86/789914486.db2.gz AFHCAGMXLSMEMD-UHFFFAOYSA-N 0 0 338.358 2.220 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(=O)OC(C)(C)C)CC1 ZINC000845931325 789999526 /nfs/dbraw/zinc/99/95/26/789999526.db2.gz RFFRVBJTCMKISZ-LLVKDONJSA-N 0 0 335.400 2.267 10 10 EECERN CC(=O)C(=O)COC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000808528456 791722451 /nfs/dbraw/zinc/72/24/51/791722451.db2.gz BZMWZGPRQJBYNS-UHFFFAOYSA-N 0 0 338.157 2.174 10 10 EECERN COC[C@@H](CC[NH2+]Cc1cc(Br)cc(F)c1[O-])OC ZINC000715827332 795537559 /nfs/dbraw/zinc/53/75/59/795537559.db2.gz KXMDSTWOVLCTIU-LLVKDONJSA-N 0 0 336.201 2.435 10 10 EECERN CC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1O)c1ccc(C)cc1 ZINC001178905355 799693228 /nfs/dbraw/zinc/69/32/28/799693228.db2.gz LMTGQHHTOKZGEJ-INIZCTEOSA-N 0 0 342.395 2.290 10 10 EECERN COc1ccc(O)c(CNC(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000787131288 807011672 /nfs/dbraw/zinc/01/16/72/807011672.db2.gz MFTSVKIZASWPFM-UHFFFAOYSA-N 0 0 329.278 2.090 10 10 EECERN O=C(NCc1cc(Br)ccc1O)N[C@H]1CC[C@H](O)CC1 ZINC000807019724 812063388 /nfs/dbraw/zinc/06/33/88/812063388.db2.gz KBEAVKGHWKJASY-HAQNSBGRSA-N 0 0 343.221 2.257 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000808503700 812676152 /nfs/dbraw/zinc/67/61/52/812676152.db2.gz KTGZSUSHWPHCAH-MRVPVSSYSA-N 0 0 347.136 2.057 10 10 EECERN NC(=O)c1ccc2c(n1)N(C(=O)/C=C\c1ccc(Cl)nc1)CCC2 ZINC001437444672 1089751922 /nfs/dbraw/zinc/75/19/22/1089751922.db2.gz KZNJMIFNSRTJCW-YWEYNIOJSA-N 0 0 342.786 2.222 10 10 EECERN Cc1nccn1-c1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001448735810 1093806306 /nfs/dbraw/zinc/80/63/06/1093806306.db2.gz JYCKWKQENLVHDD-UHFFFAOYSA-N 0 0 337.379 2.451 10 10 EECERN COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1cc(F)ccc1F ZINC001442964360 1097386272 /nfs/dbraw/zinc/38/62/72/1097386272.db2.gz GBQCBIICGJPXOJ-ZDUSSCGKSA-N 0 0 337.278 2.020 10 10 EECERN Cc1ccc(C(=O)NCCCNC(=O)c2ccccc2F)c(O)c1O ZINC001445054344 1100242272 /nfs/dbraw/zinc/24/22/72/1100242272.db2.gz VYNQNSCQSKXWKM-UHFFFAOYSA-N 0 0 346.358 2.095 10 10 EECERN COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(C)c(C)c1 ZINC001448169055 1104130126 /nfs/dbraw/zinc/13/01/26/1104130126.db2.gz PWERXOWTZMPGNY-HNNXBMFYSA-N 0 0 329.352 2.359 10 10 EECERN Cn1cc([N+](=O)[O-])c(NCc2cccc(Br)c2O)n1 ZINC001458371369 1109864253 /nfs/dbraw/zinc/86/42/53/1109864253.db2.gz YQKGDTRJMLZGCK-UHFFFAOYSA-N 0 0 327.138 2.409 10 10 EECERN NC(=O)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001464734624 1110401940 /nfs/dbraw/zinc/40/19/40/1110401940.db2.gz YDYMMOBWMRGFNU-UHFFFAOYSA-N 0 0 339.355 2.371 10 10 EECERN COc1cccc(CNC(=O)c2ccc(Cc3nnc[nH]3)cc2)c1O ZINC001465991864 1110427799 /nfs/dbraw/zinc/42/77/99/1110427799.db2.gz GPUNENYAYROTSS-UHFFFAOYSA-N 0 0 338.367 2.040 10 10 EECERN COc1cccc(CNC(=O)c2ccc3c(c2)COC(=O)N3)c1O ZINC001465992685 1110427808 /nfs/dbraw/zinc/42/78/08/1110427808.db2.gz KUTCUPUPCMTNSP-UHFFFAOYSA-N 0 0 328.324 2.393 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(NC2COC2)C1 ZINC001472158558 1110547098 /nfs/dbraw/zinc/54/70/98/1110547098.db2.gz ZYYDDQSPODZDRK-UHFFFAOYSA-N 0 0 339.439 2.215 10 10 EECERN Cn1nc(C(=O)NCc2cccc(Cl)c2O)c2ccccc2c1=O ZINC001472315851 1110551648 /nfs/dbraw/zinc/55/16/48/1110551648.db2.gz GPRAAUJLKQCSDJ-UHFFFAOYSA-N 0 0 343.770 2.223 10 10 EECERN CCS(=O)(=O)NCCN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001473570673 1110577214 /nfs/dbraw/zinc/57/72/14/1110577214.db2.gz ZQUXJTKMJMEMPS-HNNXBMFYSA-N 0 0 340.489 2.269 10 10 EECERN CN(C)c1ccc(CN(C(=O)NCc2ccc(=O)[nH]n2)C2CC2)cc1 ZINC001478702468 1110656958 /nfs/dbraw/zinc/65/69/58/1110656958.db2.gz VWOVQKDSUFQOJV-UHFFFAOYSA-N 0 0 341.415 2.122 10 10 EECERN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@@H]1C ZINC001509600988 1115869327 /nfs/dbraw/zinc/86/93/27/1115869327.db2.gz XJRMPSFGNGXLTL-GXTWGEPZSA-N 0 0 343.431 2.339 10 10 EECERN CCC(=O)NC[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001531733806 1122527347 /nfs/dbraw/zinc/52/73/47/1122527347.db2.gz DQBUGBLDUXKHPF-KRWDZBQOSA-N 0 0 345.403 2.274 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2cn3ccsc3n2)cc1 ZINC001543948603 1124136518 /nfs/dbraw/zinc/13/65/18/1124136518.db2.gz FTMPTDVFSNQWGZ-UHFFFAOYSA-N 0 0 328.357 2.488 10 10 EECERN Cc1nc(NC(=O)C=Cc2ccc(O)c(O)c2)n(-c2ccccc2)n1 ZINC001545219100 1124183801 /nfs/dbraw/zinc/18/38/01/1124183801.db2.gz PCKPYPSUWCKGGB-CSKARUKUSA-N 0 0 336.351 2.061 10 10 EECERN COc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]c2=O)c(O)c1 ZINC001568100017 1124302865 /nfs/dbraw/zinc/30/28/65/1124302865.db2.gz HXWPLZDLYNFZRI-UHFFFAOYSA-N 0 0 342.326 2.311 10 10 EECERN Cc1cc(C(=O)NC2CCN(C(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000069367244 215388855 /nfs/dbraw/zinc/38/88/55/215388855.db2.gz AXTJGQPCBGXMKN-UHFFFAOYSA-N 0 0 340.427 2.367 10 10 EECERN CN1C(=O)C(=Cc2ccc(-c3ccncc3)cc2F)C(=O)N(C)C1=O ZINC000129686487 462719425 /nfs/dbraw/zinc/71/94/25/462719425.db2.gz YDKIYMKAXSJGMD-UHFFFAOYSA-N 0 0 339.326 2.322 10 10 EECERN O=C(Nc1nncs1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000047320420 462768701 /nfs/dbraw/zinc/76/87/01/462768701.db2.gz IHWLUXNHIJOODW-GFCCVEGCSA-N 0 0 334.401 2.457 10 10 EECERN Cc1noc(CCNC(=O)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000069703626 463306711 /nfs/dbraw/zinc/30/67/11/463306711.db2.gz FZLPPGGNKGXXCE-UHFFFAOYSA-N 0 0 343.431 2.410 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[C@H](O)C1 ZINC000170603293 463682064 /nfs/dbraw/zinc/68/20/64/463682064.db2.gz UHKQOAVVGASMKH-MJGOQNOKSA-N 0 0 346.471 2.063 10 10 EECERN C[C@H]1COCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000277598600 463921390 /nfs/dbraw/zinc/92/13/90/463921390.db2.gz VLMDTPJUNSRORX-MAUKXSAKSA-N 0 0 347.459 2.090 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@H](C)[C@H](C)OC)CC2)cc1F ZINC000291062586 464143870 /nfs/dbraw/zinc/14/38/70/464143870.db2.gz WLMUIMRJWYWQBO-OLZOCXBDSA-N 0 0 339.411 2.089 10 10 EECERN C[C@H](c1cn[nH]c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000280117637 464189671 /nfs/dbraw/zinc/18/96/71/464189671.db2.gz OBVXRDHCMFKDSV-SECBINFHSA-N 0 0 334.763 2.294 10 10 EECERN CCCOc1ccc(CN2CCOC[C@H]2c2nc(C)no2)c(O)c1 ZINC000188480689 464291302 /nfs/dbraw/zinc/29/13/02/464291302.db2.gz WRITVECTEOJHGA-HNNXBMFYSA-N 0 0 333.388 2.446 10 10 EECERN Nc1ccc(CC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000237916461 464402482 /nfs/dbraw/zinc/40/24/82/464402482.db2.gz ZCEAHMSOMXLYHA-AWEZNQCLSA-N 0 0 330.819 2.255 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1F ZINC000174443760 464408606 /nfs/dbraw/zinc/40/86/06/464408606.db2.gz AREGQOBIUWPFAV-AWEZNQCLSA-N 0 0 346.410 2.030 10 10 EECERN CO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000294737409 464591308 /nfs/dbraw/zinc/59/13/08/464591308.db2.gz NZBXJXNBOHBRMG-SJLPKXTDSA-N 0 0 332.444 2.127 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1F ZINC000246585151 464602212 /nfs/dbraw/zinc/60/22/12/464602212.db2.gz OYSXSXWZCCRFBW-NVXWUHKLSA-N 0 0 336.407 2.441 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000343751651 465550920 /nfs/dbraw/zinc/55/09/20/465550920.db2.gz RTJLKHVZBOFFDJ-CYBMUJFWSA-N 0 0 326.400 2.321 10 10 EECERN CNC(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)nn1 ZINC000301347206 465947345 /nfs/dbraw/zinc/94/73/45/465947345.db2.gz KYDPUIJJJFLXMG-UHFFFAOYSA-N 0 0 343.456 2.002 10 10 EECERN CN(Cc1ccccc1O)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000302654048 466163156 /nfs/dbraw/zinc/16/31/56/466163156.db2.gz NSMYOGNAJIQQDQ-UHFFFAOYSA-N 0 0 329.312 2.268 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC([C@@H]4CCOC4)CC3)cc2N1 ZINC000374643933 466703452 /nfs/dbraw/zinc/70/34/52/466703452.db2.gz GOGQRINQMYZMLF-GFCCVEGCSA-N 0 0 347.371 2.179 10 10 EECERN COC(=O)[C@]12C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]1COCC2 ZINC000373491330 466821583 /nfs/dbraw/zinc/82/15/83/466821583.db2.gz UZBFCWMTQKWSTM-BLLLJJGKSA-N 0 0 325.792 2.057 10 10 EECERN CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000528789648 467757180 /nfs/dbraw/zinc/75/71/80/467757180.db2.gz VLDPYSZTUFWNOU-QLEMLULZSA-N 0 0 325.405 2.219 10 10 EECERN CCn1ncc(CNCc2cc(Br)cc(C)c2O)n1 ZINC000529638627 467889288 /nfs/dbraw/zinc/88/92/88/467889288.db2.gz MLADVNHGIMTLNW-UHFFFAOYSA-N 0 0 325.210 2.364 10 10 EECERN C[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)c1ccc(N(C)C)cc1 ZINC000773397973 577339734 /nfs/dbraw/zinc/33/97/34/577339734.db2.gz POTLSNAWILCCPJ-MZFXBISCSA-N 0 0 325.478 2.270 10 10 EECERN COc1c(O)c(CNCc2nccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000775048722 577427884 /nfs/dbraw/zinc/42/78/84/577427884.db2.gz PYPHPQRCHJSONQ-UHFFFAOYSA-N 0 0 334.376 2.451 10 10 EECERN COc1ccc2c(c1)CCCCN2C[C@H](O)COC[C@@H]1CCCO1 ZINC000766273082 577516287 /nfs/dbraw/zinc/51/62/87/577516287.db2.gz TYFJXAFDALFLFH-WMZOPIPTSA-N 0 0 335.444 2.394 10 10 EECERN Oc1cc2c(cc1CN1CCO[C@@H](c3ccsc3)C1)[C@@H](O)CO2 ZINC000768462744 577556248 /nfs/dbraw/zinc/55/62/48/577556248.db2.gz CWIMHYKAWQCNMJ-DOTOQJQBSA-N 0 0 333.409 2.453 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)[C@H]2CCCC[C@H]21 ZINC000754007469 577798446 /nfs/dbraw/zinc/79/84/46/577798446.db2.gz CHAFRWBTINVUDF-FUHWJXTLSA-N 0 0 335.469 2.423 10 10 EECERN NC(=O)C1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000747580605 577946539 /nfs/dbraw/zinc/94/65/39/577946539.db2.gz ULLSZAQUHAEWMC-UHFFFAOYSA-N 0 0 344.459 2.130 10 10 EECERN Cc1cc(Br)cc([C@@H](C)NCc2cnn(C)n2)c1O ZINC000806166865 675379183 /nfs/dbraw/zinc/37/91/83/675379183.db2.gz CIYLVHVTOPPHDB-SECBINFHSA-N 0 0 325.210 2.442 10 10 EECERN O=C(/C=C/c1cnccn1)NCc1cc(Br)ccc1O ZINC000804739679 675612110 /nfs/dbraw/zinc/61/21/10/675612110.db2.gz OGLMDKDOQGAYPI-DUXPYHPUSA-N 0 0 334.173 2.274 10 10 EECERN O=[N+]([O-])c1cnc(NCc2cc(Br)ccc2O)nc1 ZINC000804827627 675651516 /nfs/dbraw/zinc/65/15/16/675651516.db2.gz BUNDPZICNPYNPZ-UHFFFAOYSA-N 0 0 325.122 2.465 10 10 EECERN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cccc(F)c1[O-] ZINC000310060061 679814504 /nfs/dbraw/zinc/81/45/04/679814504.db2.gz ZYPSKJWURRZQCV-ZDUSSCGKSA-N 0 0 340.395 2.257 10 10 EECERN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895083953 683795555 /nfs/dbraw/zinc/79/55/55/683795555.db2.gz NJCXUPKEFWVQFJ-ZDUSSCGKSA-N 0 0 338.276 2.171 10 10 EECERN CCOc1ccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c(O)c1 ZINC000895341674 684515220 /nfs/dbraw/zinc/51/52/20/684515220.db2.gz JSTFETGLESGLLR-HNNXBMFYSA-N 0 0 333.432 2.171 10 10 EECERN COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(F)c(N(C)C)cc1F ZINC000895864389 684746867 /nfs/dbraw/zinc/74/68/67/684746867.db2.gz NVUFNQHBDJIYCH-IUODEOHRSA-N 0 0 342.386 2.231 10 10 EECERN C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[S@]1=O ZINC000897566662 691626536 /nfs/dbraw/zinc/62/65/36/691626536.db2.gz VJVLNBXWNJSTSY-PVBMHHQDSA-N 0 0 339.438 2.296 10 10 EECERN C[C@@H](NC(=O)Cn1cc(C(N)=O)c2ccccc21)c1ccccc1O ZINC001648889967 1176752128 /nfs/dbraw/zinc/75/21/28/1176752128.db2.gz URAHMWXXVFGNTQ-GFCCVEGCSA-N 0 0 337.379 2.323 10 10 EECERN CCC(=O)N(C)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001745726283 1182488252 /nfs/dbraw/zinc/48/82/52/1182488252.db2.gz LPWRDRWHHNUYBI-LBPRGKRZSA-N 0 0 345.403 2.180 10 10 EECERN CCOC(=O)C1(CC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000864574017 1197810239 /nfs/dbraw/zinc/81/02/39/1197810239.db2.gz WFJLILVVPWGBDI-UHFFFAOYSA-N 0 0 348.443 2.119 10 10 EECERN Cc1cc(C2(NC(=O)c3ccc(C)c(O)c3O)CCOCC2)on1 ZINC000863712188 1197826366 /nfs/dbraw/zinc/82/63/66/1197826366.db2.gz JUMVHPNPLOYVIG-UHFFFAOYSA-N 0 0 332.356 2.138 10 10 EECERN C[C@@H](NC(=O)[C@H](C)c1cncnc1)c1ccc(N2CCOCC2)cc1 ZINC000863860573 1197904233 /nfs/dbraw/zinc/90/42/33/1197904233.db2.gz MQKTYVRTVBEVSS-HUUCEWRRSA-N 0 0 340.427 2.294 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@]2(COC)CCOC2)cc1F ZINC000825782470 1199208425 /nfs/dbraw/zinc/20/84/25/1199208425.db2.gz YMHCMVNSRJXUOG-SFHVURJKSA-N 0 0 338.423 2.341 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC000811951394 1200422990 /nfs/dbraw/zinc/42/29/90/1200422990.db2.gz DTBHSVOKOGAQGC-MNOVXSKESA-N 0 0 330.388 2.042 10 10 EECERN CC[C@H](CNC(=O)NCc1cc(Br)ccc1O)OC ZINC000811965256 1200436697 /nfs/dbraw/zinc/43/66/97/1200436697.db2.gz AWEXWRSHDJDHML-LLVKDONJSA-N 0 0 331.210 2.379 10 10 EECERN CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000813047490 1201084697 /nfs/dbraw/zinc/08/46/97/1201084697.db2.gz PCMQFFLPFFCYMJ-YJBOKZPZSA-N 0 0 347.459 2.405 10 10 EECERN O=C(N1Cc2cccc(O)c2C1)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000871204795 1201099316 /nfs/dbraw/zinc/09/93/16/1201099316.db2.gz LDQRLLBYRSSOML-HXUWFJFHSA-N 0 0 336.391 2.082 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000866530663 1201542551 /nfs/dbraw/zinc/54/25/51/1201542551.db2.gz BCKJFXPHRPHKEA-DZGCQCFKSA-N 0 0 349.427 2.415 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000866598898 1201558130 /nfs/dbraw/zinc/55/81/30/1201558130.db2.gz URNSBLYFHRQIQS-KGLIPLIRSA-N 0 0 347.333 2.477 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccn(C3CC3)c2=O)c1 ZINC000866765306 1201600833 /nfs/dbraw/zinc/60/08/33/1201600833.db2.gz ULJUWJVANNSCMR-LLVKDONJSA-N 0 0 328.368 2.388 10 10 EECERN O=C(NCC[C@H]1CCSC1)NCc1ccc(N2CCOCC2)cc1 ZINC000868130126 1201749438 /nfs/dbraw/zinc/74/94/38/1201749438.db2.gz KEQPEYBSUCTDSD-INIZCTEOSA-N 0 0 349.500 2.466 10 10 EECERN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)O1 ZINC000868898768 1201901260 /nfs/dbraw/zinc/90/12/60/1201901260.db2.gz BRJVGPKYDIFOJC-LBTNJELSSA-N 0 0 347.459 2.013 10 10 EECERN O=C(/C=C/COC1CCOCC1)NCc1cc(Cl)ccc1O ZINC000869147391 1201950105 /nfs/dbraw/zinc/95/01/05/1201950105.db2.gz QUAZTVSFTJMYOB-OWOJBTEDSA-N 0 0 325.792 2.414 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCn3nccc32)cc1F ZINC000869218299 1201966866 /nfs/dbraw/zinc/96/68/66/1201966866.db2.gz LDZGCKQLAJQCQE-CQSZACIVSA-N 0 0 331.395 2.423 10 10 EECERN O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCc1c(O)cccc1F ZINC000928710695 1206414066 /nfs/dbraw/zinc/41/40/66/1206414066.db2.gz WAJRAJUIAPXTBH-SECBINFHSA-N 0 0 330.570 2.269 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000778919869 1208403199 /nfs/dbraw/zinc/40/31/99/1208403199.db2.gz OCSFMWYCMAVCEJ-UHFFFAOYSA-N 0 0 337.335 2.190 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cnn2c1CCC2 ZINC000831936823 1210113013 /nfs/dbraw/zinc/11/30/13/1210113013.db2.gz HCMFRSRKSIVGFP-UHFFFAOYSA-N 0 0 336.189 2.227 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cnc(C2CC2)nc1 ZINC000779542365 1210459973 /nfs/dbraw/zinc/45/99/73/1210459973.db2.gz ONQHXPKLUBQNQW-QHHAFSJGSA-N 0 0 325.368 2.137 10 10 EECERN Cc1cc(COCC(=O)NCCCSc2nccs2)on1 ZINC000801154288 1235146984 /nfs/dbraw/zinc/14/69/84/1235146984.db2.gz CBNLZSCQCMJDLS-UHFFFAOYSA-N 0 0 327.431 2.255 10 10 EECERN C/C(=C\C(=O)NCc1c(O)ccc2c1CCCC2)CN1CCOCC1 ZINC000901133834 1235264247 /nfs/dbraw/zinc/26/42/47/1235264247.db2.gz YQDNCAWCEYLMTL-NTCAYCPXSA-N 0 0 344.455 2.166 10 10 EECERN CCN1CC[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1=O ZINC000801789354 1236190366 /nfs/dbraw/zinc/19/03/66/1236190366.db2.gz TXCONJKRZVTYDP-KRWDZBQOSA-N 0 0 325.412 2.445 10 10 EECERN CCN1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1=O ZINC000802532710 1237605067 /nfs/dbraw/zinc/60/50/67/1237605067.db2.gz PWCQZBZSPZFYPV-KRWDZBQOSA-N 0 0 346.475 2.293 10 10 EECERN COc1cc(OC)c(OC)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001137327301 1249684010 /nfs/dbraw/zinc/68/40/10/1249684010.db2.gz MPVBBPYPYMZRMU-UHFFFAOYSA-N 0 0 333.340 2.305 10 10 EECERN C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903281395 1240168993 /nfs/dbraw/zinc/16/89/93/1240168993.db2.gz PHXNDPVHPSTRLP-BONVTDFDSA-N 0 0 349.258 2.043 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCc3cccnc3)C2)cc1 ZINC000851944489 1291926955 /nfs/dbraw/zinc/92/69/55/1291926955.db2.gz QWPCZBWEACKDRF-MRXNPFEDSA-N 0 0 340.427 2.211 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NOCCC(F)(F)F)C2)cc1 ZINC000852266531 1292071643 /nfs/dbraw/zinc/07/16/43/1292071643.db2.gz FRKQQASTTAECLL-LLVKDONJSA-N 0 0 347.337 2.457 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@](C)(OC)C3)C2)cc1 ZINC000852451337 1292117450 /nfs/dbraw/zinc/11/74/50/1292117450.db2.gz IINPMVHBJKFAAC-KXBFYZLASA-N 0 0 347.459 2.484 10 10 EECERN CC1(c2nnc(-c3cccnc3)o2)CN(C(=O)C2=CC(=O)CS2)C1 ZINC000852991320 1292250455 /nfs/dbraw/zinc/25/04/55/1292250455.db2.gz NQWDAIPZYSFPJF-UHFFFAOYSA-N 0 0 342.380 2.312 10 10 EECERN Cc1cn(C)nc1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000853046380 1292262427 /nfs/dbraw/zinc/26/24/27/1292262427.db2.gz YSPIGEWSNIRHSI-UHFFFAOYSA-N 0 0 334.763 2.056 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cccnc3OC)C2)cc1 ZINC000853817780 1292470029 /nfs/dbraw/zinc/47/00/29/1292470029.db2.gz MTJBWZGVEWPYGA-CYBMUJFWSA-N 0 0 342.399 2.499 10 10 EECERN COC[C@H](CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000854291471 1292705813 /nfs/dbraw/zinc/70/58/13/1292705813.db2.gz AFWDVENTUPTRCA-SFHVURJKSA-N 0 0 349.475 2.478 10 10 EECERN O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)C1=CC(=O)CS1 ZINC000855121807 1293079183 /nfs/dbraw/zinc/07/91/83/1293079183.db2.gz ULMHZANMPLQTFI-AWEZNQCLSA-N 0 0 325.430 2.141 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC000855223599 1293116596 /nfs/dbraw/zinc/11/65/96/1293116596.db2.gz BDRBYQIUQFUKKQ-CYBMUJFWSA-N 0 0 342.395 2.424 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnc(C(C)=O)s3)C2)cc1 ZINC000855223473 1293116783 /nfs/dbraw/zinc/11/67/83/1293116783.db2.gz HLVJWBORGKKXMH-LBPRGKRZSA-N 0 0 345.424 2.363 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)cc1 ZINC000855223830 1293116843 /nfs/dbraw/zinc/11/68/43/1293116843.db2.gz CDFPSWUFLVFNPY-CYBMUJFWSA-N 0 0 335.404 2.226 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)/C=C(/C)c3cnccn3)C2)cc1 ZINC000855226879 1293118462 /nfs/dbraw/zinc/11/84/62/1293118462.db2.gz VEMMYEXBTBSYFX-SZGZABIGSA-N 0 0 338.411 2.284 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)/C=C(\C)c3cnccn3)C2)cc1 ZINC000855226875 1293118962 /nfs/dbraw/zinc/11/89/62/1293118962.db2.gz VEMMYEXBTBSYFX-GOFCXVBSSA-N 0 0 338.411 2.284 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cn(C)nc3C3CC3)C2)cc1 ZINC000855227026 1293119896 /nfs/dbraw/zinc/11/98/96/1293119896.db2.gz SRXLFZBKARNISX-AWEZNQCLSA-N 0 0 340.427 2.315 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ncc(C)s3)C2)cc1 ZINC000855234264 1293123273 /nfs/dbraw/zinc/12/32/73/1293123273.db2.gz WCEYMSRMEPNJKG-ZDUSSCGKSA-N 0 0 331.441 2.398 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc4nccn43)C2)cc1 ZINC000855234083 1293123326 /nfs/dbraw/zinc/12/33/26/1293123326.db2.gz RYJQTOQGVTXHPG-CQSZACIVSA-N 0 0 336.395 2.352 10 10 EECERN COCc1n[nH]c(CNC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000855518851 1293246820 /nfs/dbraw/zinc/24/68/20/1293246820.db2.gz SLZIYPUEVHXLSR-UHFFFAOYSA-N 0 0 345.428 2.350 10 10 EECERN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2cc(C)ccc2O)C1 ZINC000858368497 1294097289 /nfs/dbraw/zinc/09/72/89/1294097289.db2.gz BLFGVWCAMQJUDU-UONOGXRCSA-N 0 0 349.431 2.367 10 10 EECERN C[C@@H](NC(=O)N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000858368895 1294097331 /nfs/dbraw/zinc/09/73/31/1294097331.db2.gz PFSIBKWQBXPKJD-CXAGYDPISA-N 0 0 344.459 2.266 10 10 EECERN CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccc2cccnc2c1O ZINC000862026609 1295660261 /nfs/dbraw/zinc/66/02/61/1295660261.db2.gz UZDBHYVLIKGTBJ-NHYWBVRUSA-N 0 0 329.400 2.107 10 10 EECERN CN(C)c1cc(F)c(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1F ZINC000862386721 1295821472 /nfs/dbraw/zinc/82/14/72/1295821472.db2.gz AOGPIJKUVJZPAL-HOCLYGCPSA-N 0 0 344.427 2.182 10 10 EECERN C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]2CCCC[C@@H]21 ZINC001118941354 1308962398 /nfs/dbraw/zinc/96/23/98/1308962398.db2.gz AZCOFEDSUBWLRU-XNRPHZJLSA-N 0 0 328.412 2.272 10 10 EECERN COCCN1CCCN(Cc2c(O)cc(C)cc2Cl)CC1=O ZINC000840942044 1315442313 /nfs/dbraw/zinc/44/23/13/1315442313.db2.gz QJPRVWZNPLFZRY-UHFFFAOYSA-N 0 0 326.824 2.035 10 10 EECERN C[C@@H]1CN(Cc2cccc(Br)c2[O-])[C@@H](C)C[N@@H+]1CCO ZINC000841891606 1315631224 /nfs/dbraw/zinc/63/12/24/1315631224.db2.gz MOQPFNVILMTNQE-NEPJUHHUSA-N 0 0 343.265 2.042 10 10 EECERN CC(C)(C)C[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000843307351 1315887625 /nfs/dbraw/zinc/88/76/25/1315887625.db2.gz OYJLOPJHAUAORV-MRXNPFEDSA-N 0 0 345.443 2.380 10 10 EECERN COc1ccc(N2CCN(C(=O)Cc3cc(F)ccc3O)CC2)cc1 ZINC001150069532 1316145426 /nfs/dbraw/zinc/14/54/26/1316145426.db2.gz JJJVKMSZEHJWGC-UHFFFAOYSA-N 0 0 344.386 2.431 10 10 EECERN O=C(CCCOc1ccc2c(c1)OCO2)NCc1cc(O)ccc1O ZINC001153886159 1316908339 /nfs/dbraw/zinc/90/83/39/1316908339.db2.gz YRQSAJGSVALYLW-UHFFFAOYSA-N 0 0 345.351 2.302 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC001299574331 1319526896 /nfs/dbraw/zinc/52/68/96/1319526896.db2.gz PRLOLHXQFWMICA-GOEBONIOSA-N 0 0 327.336 2.018 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(O)cc1O ZINC001299698664 1319950127 /nfs/dbraw/zinc/95/01/27/1319950127.db2.gz JHRWVGRSZSLWFS-UHFFFAOYSA-N 0 0 345.351 2.009 10 10 EECERN Cc1ccc(C(=O)N[C@H](C)c2noc(C(F)(F)F)n2)c(O)c1O ZINC001162788189 1320958852 /nfs/dbraw/zinc/95/88/52/1320958852.db2.gz NJCCSKNRYKSQNZ-ZCFIWIBFSA-N 0 0 331.250 2.299 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccc(C(N)=O)o1 ZINC001265093921 1322916976 /nfs/dbraw/zinc/91/69/76/1322916976.db2.gz MHKVHMWGKHUKDI-VQHVLOKHSA-N 0 0 327.384 2.083 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cnc(F)c(Br)c1 ZINC001294869571 1329175489 /nfs/dbraw/zinc/17/54/89/1329175489.db2.gz HLAIQXZYEDVQHI-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN C[C@@H](CNC(=O)[C@@H](C)C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285742040 1327133046 /nfs/dbraw/zinc/13/30/46/1327133046.db2.gz VPBOBQABEPKDOX-QWRGUYRKSA-N 0 0 345.403 2.130 10 10 EECERN CCc1nnc(N2CC[C@@H](OC)C2)n1Cc1ccc(N(C)C)cc1C ZINC001306226568 1331463928 /nfs/dbraw/zinc/46/39/28/1331463928.db2.gz QEVGQBOKLKPVQV-QGZVFWFLSA-N 0 0 343.475 2.488 10 10 EECERN O=C([O-])[C@]1(F)C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC12CCC2 ZINC000901913147 1331526829 /nfs/dbraw/zinc/52/68/29/1331526829.db2.gz BATCHTVIXHQHDT-LJQANCHMSA-N 0 0 348.418 2.302 10 10 EECERN CC1(C)C[C@]1(C)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001332851884 1335919174 /nfs/dbraw/zinc/91/91/74/1335919174.db2.gz BXCOYPDFIOJMBX-HXUWFJFHSA-N 0 0 341.455 2.231 10 10 EECERN C[C@H](NC(=O)C(=O)N1CCCSC[C@H]1C)c1ccc(N(C)C)cc1 ZINC001332949612 1335936306 /nfs/dbraw/zinc/93/63/06/1335936306.db2.gz WWSMNOZJIIYBAO-KGLIPLIRSA-N 0 0 349.500 2.284 10 10 EECERN COC(=O)c1c(CN2CCn3cncc3C2)c2cc(F)ccc2n1C ZINC001333720565 1336114618 /nfs/dbraw/zinc/11/46/18/1336114618.db2.gz ZNQGTHKOMOVXCS-UHFFFAOYSA-N 0 0 342.374 2.316 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001334423425 1336251843 /nfs/dbraw/zinc/25/18/43/1336251843.db2.gz RDNHBWFILDRXAR-ZIAGYGMSSA-N 0 0 349.408 2.333 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N2CC(C)(F)C2)cc1 ZINC001348366279 1337550011 /nfs/dbraw/zinc/55/00/11/1337550011.db2.gz LUCWUGUSLBLDRU-UHFFFAOYSA-N 0 0 335.423 2.062 10 10 EECERN CN1CCCc2cc(CNC(=O)NCC3CCC(O)CC3)ccc21 ZINC001350479886 1337716795 /nfs/dbraw/zinc/71/67/95/1337716795.db2.gz KTFGRLBHMJEBJZ-UHFFFAOYSA-N 0 0 331.460 2.419 10 10 EECERN Cc1cc(CCNC(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001565161787 1342552621 /nfs/dbraw/zinc/55/26/21/1342552621.db2.gz DPLJXGOZPLJJOI-SAABIXHNSA-N 0 0 327.428 2.459 10 10 EECERN O=Cc1cn(CC(=O)NCc2ccccc2O)nc1-c1ccccc1 ZINC001595799708 1349895459 /nfs/dbraw/zinc/89/54/59/1349895459.db2.gz FMMGKRQXMCBCNY-UHFFFAOYSA-N 0 0 335.363 2.385 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)CONC(=O)OC(C)(C)C)c1 ZINC001595806806 1349895624 /nfs/dbraw/zinc/89/56/24/1349895624.db2.gz VXVCPWOHOYLDRV-SNVBAGLBSA-N 0 0 340.376 2.034 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=C2CCCN=C2NN1 ZINC001596953156 1349914578 /nfs/dbraw/zinc/91/45/78/1349914578.db2.gz KLZKVLFWHWBPED-UHFFFAOYSA-N 0 0 341.459 2.044 10 10 EECERN Cc1onc(-c2cccnc2)c1C(=O)N1CCCc2c(=O)[nH]cnc21 ZINC001624725994 1352428867 /nfs/dbraw/zinc/42/88/67/1352428867.db2.gz XGKJCVUNTJDGPP-UHFFFAOYSA-N 0 0 337.339 2.134 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001633507396 1352611406 /nfs/dbraw/zinc/61/14/06/1352611406.db2.gz HXAWNBOYXINNLV-OAHLLOKOSA-N 0 0 330.315 2.046 10 10 EECERN Cn1c(C=O)ccc1C(=O)NCc1cccc(Br)c1O ZINC001635839426 1352653786 /nfs/dbraw/zinc/65/37/86/1352653786.db2.gz CYLKPCZOVIIUOI-UHFFFAOYSA-N 0 0 337.173 2.236 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)OC(C)(C)C ZINC001635887629 1352654332 /nfs/dbraw/zinc/65/43/32/1352654332.db2.gz ZIKMCWGMRVDHEQ-JTQLQIEISA-N 0 0 349.391 2.492 10 10 EECERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1cccc(O)c1O ZINC001643809628 1352752023 /nfs/dbraw/zinc/75/20/23/1352752023.db2.gz PNZOASBQLNGSBI-UHFFFAOYSA-N 0 0 349.770 2.381 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2C[C@H]2CCCO2)cc1 ZINC001648008262 1353413213 /nfs/dbraw/zinc/41/32/13/1353413213.db2.gz KOJTVGBEYJOITC-HUUCEWRRSA-N 0 0 346.387 2.259 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)c1cc(F)ccc1F ZINC001653742446 1354131454 /nfs/dbraw/zinc/13/14/54/1354131454.db2.gz YWYDOGKHBNLEKQ-HSVJCBRXSA-N 0 0 335.306 2.239 10 10 EECERN Cn1c(=O)c([N+](=O)[O-])c(NCc2c(O)cccc2O)c2ccccc21 ZINC001655887734 1354188956 /nfs/dbraw/zinc/18/89/56/1354188956.db2.gz VAIIYORNASHFST-UHFFFAOYSA-N 0 0 341.323 2.470 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCc1cnccn1 ZINC001681083956 1357950725 /nfs/dbraw/zinc/95/07/25/1357950725.db2.gz CWSUGYJRVDLZLZ-UHFFFAOYSA-N 0 0 339.443 2.461 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCc1cn[nH]c1 ZINC001683014744 1358180306 /nfs/dbraw/zinc/18/03/06/1358180306.db2.gz CGYGOVFDXVMIPT-UHFFFAOYSA-N 0 0 327.432 2.394 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)C2=C[S@](=O)CCC2)cc1 ZINC001144879124 790297662 /nfs/dbraw/zinc/29/76/62/790297662.db2.gz MISDXTXLKSPPRB-HSZRJFAPSA-N 0 0 336.457 2.016 10 10 EECERN O=S(=O)(NCc1c(O)cccc1F)c1cnn(C2CCCC2)c1 ZINC000921451769 773382397 /nfs/dbraw/zinc/38/23/97/773382397.db2.gz VRXZBZMAYJUTJJ-UHFFFAOYSA-N 0 0 339.392 2.321 10 10 EECERN CC(C)(C)c1cc(CS(=O)(=O)NCc2c(O)cccc2F)no1 ZINC000921452526 773382676 /nfs/dbraw/zinc/38/26/76/773382676.db2.gz RQZWEYFIJYRLKB-UHFFFAOYSA-N 0 0 342.392 2.436 10 10 EECERN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1c(O)cccc1F ZINC000921452110 773382959 /nfs/dbraw/zinc/38/29/59/773382959.db2.gz DOMPLVBJIOWSSJ-UHFFFAOYSA-N 0 0 341.408 2.404 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cc(OC)cnc3F)CC2)cc1 ZINC000846768347 790523610 /nfs/dbraw/zinc/52/36/10/790523610.db2.gz IYHASMLSTGNCBR-UHFFFAOYSA-N 0 0 345.374 2.200 10 10 EECERN CCOC(=O)CN(C(=O)/C=C(\C)c1cnccn1)c1ccc(F)cn1 ZINC001126396393 781069368 /nfs/dbraw/zinc/06/93/68/781069368.db2.gz YTRMRFZLOGJCEC-XYOKQWHBSA-N 0 0 344.346 2.010 10 10 EECERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000906510340 783955821 /nfs/dbraw/zinc/95/58/21/783955821.db2.gz AKIUSMBRKAYSMO-JEBQAFNWSA-N 0 0 332.444 2.451 10 10 EECERN CCN(CC)c1ccc(CNC(=O)COCc2nccn2C)cc1F ZINC000816922185 784336119 /nfs/dbraw/zinc/33/61/19/784336119.db2.gz UDGLFWDDZHHJNP-UHFFFAOYSA-N 0 0 348.422 2.238 10 10 EECERN COc1ccc(O)c(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)c1 ZINC000907061617 784360077 /nfs/dbraw/zinc/36/00/77/784360077.db2.gz VHNKYAMAIATUEQ-JTQLQIEISA-N 0 0 342.606 2.138 10 10 EECERN CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H](CC)O1 ZINC000817123874 784520193 /nfs/dbraw/zinc/52/01/93/784520193.db2.gz IYUMCEVMNHHDHJ-GHMZBOCLSA-N 0 0 335.360 2.320 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2cc3c(cn2)OCCO3)cc1 ZINC000819039868 785371248 /nfs/dbraw/zinc/37/12/48/785371248.db2.gz GYSWEFKDZYKBKY-UHFFFAOYSA-N 0 0 327.384 2.191 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\[C@H]1CCCO1 ZINC000819040170 785372239 /nfs/dbraw/zinc/37/22/39/785372239.db2.gz WGWULWDWUXSXLS-CNZFZVQHSA-N 0 0 330.428 2.217 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c(cn1)OCCO2 ZINC000819398113 785529503 /nfs/dbraw/zinc/52/95/03/785529503.db2.gz IITQOQAABXIAGP-UHFFFAOYSA-N 0 0 340.379 2.367 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(N2CCCC2=O)c1 ZINC001136234251 785576767 /nfs/dbraw/zinc/57/67/67/785576767.db2.gz ZPCAFAXHLCPYLK-UHFFFAOYSA-N 0 0 340.379 2.084 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1cnn(C)n1 ZINC000822269462 787100828 /nfs/dbraw/zinc/10/08/28/787100828.db2.gz QCCAKJJPFOQOSU-UHFFFAOYSA-N 0 0 341.459 2.397 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C)C2=O)cc1 ZINC000822269273 787101706 /nfs/dbraw/zinc/10/17/06/787101706.db2.gz OJCCCFALDRXABV-QGZVFWFLSA-N 0 0 331.460 2.360 10 10 EECERN O=C(Cc1ccccc1N1CCCC1=O)NCc1ccc(O)cc1O ZINC000910955464 787134698 /nfs/dbraw/zinc/13/46/98/787134698.db2.gz FPNMVWWFPNZEOU-UHFFFAOYSA-N 0 0 340.379 2.084 10 10 EECERN CC(C)C[C@H](NCC(F)(F)F)C(=O)NCc1ccc(O)cc1O ZINC000910942563 787145628 /nfs/dbraw/zinc/14/56/28/787145628.db2.gz FGMSUFRQPXTWCH-LBPRGKRZSA-N 0 0 334.338 2.281 10 10 EECERN Cc1cc(C(=O)N2CCC(CO)(CO)C2)c(C)n1-c1ccccc1C ZINC000912559446 788244889 /nfs/dbraw/zinc/24/48/89/788244889.db2.gz VBAAKEBSQZNTEP-UHFFFAOYSA-N 0 0 342.439 2.219 10 10 EECERN CCn1ccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000824962460 788374462 /nfs/dbraw/zinc/37/44/62/788374462.db2.gz CXKZFDOQBGVINB-ZDUSSCGKSA-N 0 0 329.404 2.312 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCCC(=O)[C@@H]3C)C2)cc1 ZINC000923189601 789090962 /nfs/dbraw/zinc/09/09/62/789090962.db2.gz YQYUBYHKJRRKFX-UONOGXRCSA-N 0 0 331.416 2.037 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)C2(CF)CCOCC2)cc1 ZINC000844855904 789403328 /nfs/dbraw/zinc/40/33/28/789403328.db2.gz DHIDRYSYNSSZJB-UHFFFAOYSA-N 0 0 338.423 2.356 10 10 EECERN COCc1ccnc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000844839299 789422339 /nfs/dbraw/zinc/42/23/39/789422339.db2.gz WQJHUMVNXZLHKR-NSHDSACASA-N 0 0 331.372 2.392 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCOC[C@@H]2C)cc1 ZINC000845153568 789611458 /nfs/dbraw/zinc/61/14/58/789611458.db2.gz RVLMYAALBUQMQJ-WMLDXEAASA-N 0 0 335.448 2.198 10 10 EECERN CC(=O)C(=O)COC(=O)Cc1cc(Br)ccc1Cl ZINC000923528272 789721293 /nfs/dbraw/zinc/72/12/93/789721293.db2.gz PVNWEHPOYODGCR-UHFFFAOYSA-N 0 0 333.565 2.346 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]1(CO)CCc2ccccc21 ZINC000846345460 790140777 /nfs/dbraw/zinc/14/07/77/790140777.db2.gz XHDBAFKBLPDJND-IEJURRBGSA-N 0 0 339.391 2.104 10 10 EECERN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001146306332 791187558 /nfs/dbraw/zinc/18/75/58/791187558.db2.gz HANFSXGPCCHJHD-LLVKDONJSA-N 0 0 338.404 2.012 10 10 EECERN CN(Cc1ccccc1O)S(=O)(=O)c1ccnn1CC1CCC1 ZINC000914144868 794991756 /nfs/dbraw/zinc/99/17/56/794991756.db2.gz JUJMDMQKCBUSEP-UHFFFAOYSA-N 0 0 335.429 2.210 10 10 EECERN CN(CC(=O)Nc1cccc(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000915825401 796490230 /nfs/dbraw/zinc/49/02/30/796490230.db2.gz SZMFXTWLJXTUPF-UHFFFAOYSA-N 0 0 332.331 2.331 10 10 EECERN Cc1c(C(=O)NCc2cc(O)ccc2O)nnn1-c1cccc(C)c1 ZINC001176748356 798547405 /nfs/dbraw/zinc/54/74/05/798547405.db2.gz PYMJMUQQHNXXGM-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN O=C(c1c2n(c(=O)cc1-c1cncnc1)CCC2)N1CCCCCC1 ZINC000581819299 803112361 /nfs/dbraw/zinc/11/23/61/803112361.db2.gz BSEAFXBHIYFFSL-UHFFFAOYSA-N 0 0 338.411 2.268 10 10 EECERN COCC[N@H+](Cc1cccc(Br)c1[O-])[C@H]1CCOC1 ZINC000787334155 807080173 /nfs/dbraw/zinc/08/01/73/807080173.db2.gz FFZMCWNTBDEPSP-LBPRGKRZSA-N 0 0 330.222 2.392 10 10 EECERN CN(C)c1ccc(CN2CCN3CCOC[C@H]3C2)c(C(F)(F)F)c1 ZINC000793078423 810130129 /nfs/dbraw/zinc/13/01/29/810130129.db2.gz VVSIFOTYLVFEFO-OAHLLOKOSA-N 0 0 343.393 2.288 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000793387837 810312133 /nfs/dbraw/zinc/31/21/33/810312133.db2.gz ASDKPXBOWKPWCT-CQSZACIVSA-N 0 0 327.222 2.160 10 10 EECERN COc1nccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC001129973829 811055114 /nfs/dbraw/zinc/05/51/14/811055114.db2.gz LXHIHWMCSBBOQG-ZDUSSCGKSA-N 0 0 328.416 2.221 10 10 EECERN Cn1ncc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000807568808 812268700 /nfs/dbraw/zinc/26/87/00/812268700.db2.gz FAPWRNNXJIVGLK-UHFFFAOYSA-N 0 0 341.371 2.026 10 10 EECERN Cn1ncc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000808417348 812632366 /nfs/dbraw/zinc/63/23/66/812632366.db2.gz JHYFICRIIHBPAZ-UHFFFAOYSA-N 0 0 330.392 2.003 10 10 EECERN CC(=O)C(=O)COC(=O)CCCOc1ccccc1Br ZINC000808505313 812675747 /nfs/dbraw/zinc/67/57/47/812675747.db2.gz XUJTVPSAWHNCKF-UHFFFAOYSA-N 0 0 343.173 2.309 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000808503043 812675804 /nfs/dbraw/zinc/67/58/04/812675804.db2.gz CRUCKRBLPKOIMG-UHFFFAOYSA-N 0 0 343.310 2.393 10 10 EECERN CCCN(CCC)C(=O)c1cccc(C(=O)OCC(=O)C(C)=O)c1 ZINC000808514962 812685758 /nfs/dbraw/zinc/68/57/58/812685758.db2.gz XTOWNZBVGFIKGP-UHFFFAOYSA-N 0 0 333.384 2.264 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC000808532228 812702336 /nfs/dbraw/zinc/70/23/36/812702336.db2.gz OQDCIRJCGANFNZ-SJKOYZFVSA-N 0 0 341.404 2.161 10 10 EECERN COc1ccc(CNC(=O)CN(C(C)=O)c2ccccc2)c(O)c1 ZINC001448386193 1093372444 /nfs/dbraw/zinc/37/24/44/1093372444.db2.gz VGJNWHOIIWPIHP-UHFFFAOYSA-N 0 0 328.368 2.070 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2noc(C(F)(F)F)n2)cc1 ZINC001448622750 1093686272 /nfs/dbraw/zinc/68/62/72/1093686272.db2.gz TWQFCBJDSPXDRY-UHFFFAOYSA-N 0 0 342.237 2.181 10 10 EECERN O=C(C[C@H]1CC(=O)Nc2ccccc21)NCc1ccc(O)cc1O ZINC001451762712 1097906913 /nfs/dbraw/zinc/90/69/13/1097906913.db2.gz STFSQGDBBAIXHU-LBPRGKRZSA-N 0 0 326.352 2.230 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCCc2c(C)[nH][nH]c2=O)cc1 ZINC001443470605 1097969571 /nfs/dbraw/zinc/96/95/71/1097969571.db2.gz XLYFZUWMYIIJEK-QGZVFWFLSA-N 0 0 338.411 2.336 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001445173506 1100431478 /nfs/dbraw/zinc/43/14/78/1100431478.db2.gz NLEXYRRXRPNYRS-INIZCTEOSA-N 0 0 349.427 2.217 10 10 EECERN COc1ccc(NS(C)(=O)=O)cc1NC(=O)C1=CC(=O)CS1 ZINC001450000435 1105132437 /nfs/dbraw/zinc/13/24/37/1105132437.db2.gz VOBGNUFTPWGPKV-UHFFFAOYSA-N 0 0 342.398 2.086 10 10 EECERN O=C(c1cc(N2CCNC2=O)ccc1F)N1Cc2cccc(O)c2C1 ZINC001455035660 1108129074 /nfs/dbraw/zinc/12/90/74/1108129074.db2.gz BKOCIVFMQOPNLL-UHFFFAOYSA-N 0 0 341.342 2.217 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC001458239955 1109847508 /nfs/dbraw/zinc/84/75/08/1109847508.db2.gz ZOEBVKCYFDKNNM-GFCCVEGCSA-N 0 0 346.387 2.415 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC001464310778 1110391565 /nfs/dbraw/zinc/39/15/65/1110391565.db2.gz YJSIDLANCBYJKI-AWEZNQCLSA-N 0 0 343.402 2.477 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ncoc1C ZINC001546152062 1110411649 /nfs/dbraw/zinc/41/16/49/1110411649.db2.gz QTUWDOOTYUEFBP-UHFFFAOYSA-N 0 0 338.747 2.157 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1SC ZINC001469383392 1110490134 /nfs/dbraw/zinc/49/01/34/1110490134.db2.gz MWHFRIJTWRZMEF-UPJWGTAASA-N 0 0 336.417 2.488 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)c1ccc(F)cc1F ZINC001470400121 1110505671 /nfs/dbraw/zinc/50/56/71/1110505671.db2.gz CYBWYZIRULLOIU-XCVZWFEFSA-N 0 0 335.306 2.239 10 10 EECERN O=C(Cc1nnc(-c2ccccc2)o1)NCc1cc(O)ccc1O ZINC001471662044 1110527803 /nfs/dbraw/zinc/52/78/03/1110527803.db2.gz LVMCCAMXMDJTTN-UHFFFAOYSA-N 0 0 325.324 2.007 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC001478648142 1110656205 /nfs/dbraw/zinc/65/62/05/1110656205.db2.gz CGSUCGGNAZXGRO-RHSMWYFYSA-N 0 0 344.415 2.187 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](C3OCCO3)C2)cc1 ZINC001546271061 1112493588 /nfs/dbraw/zinc/49/35/88/1112493588.db2.gz QNTBJBVNMNXXHW-LBPRGKRZSA-N 0 0 332.360 2.074 10 10 EECERN CCCC(=O)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001535555106 1123573279 /nfs/dbraw/zinc/57/32/79/1123573279.db2.gz HIIHYJOANXZRKZ-UHFFFAOYSA-N 0 0 331.376 2.028 10 10 EECERN COc1ccnc(OC)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001542389597 1124112959 /nfs/dbraw/zinc/11/29/59/1124112959.db2.gz HUAQIRPQYAETRP-UHFFFAOYSA-N 0 0 341.411 2.411 10 10 EECERN CN(Cc1ccccc1O)C(=O)CCn1c(=O)oc2ccccc21 ZINC000053914866 214204911 /nfs/dbraw/zinc/20/49/11/214204911.db2.gz DYUYYENZZLCMAP-UHFFFAOYSA-N 0 0 326.352 2.349 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3nccs3)C2)cc1 ZINC000111415558 529781624 /nfs/dbraw/zinc/78/16/24/529781624.db2.gz HIUSPVZENUXROQ-HNNXBMFYSA-N 0 0 346.456 2.492 10 10 EECERN O=C(NCCc1cn[nH]c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000292056422 238183207 /nfs/dbraw/zinc/18/32/07/238183207.db2.gz HAXUPQOFTKBKHA-MRXNPFEDSA-N 0 0 344.415 2.049 10 10 EECERN CCn1nnc(C)c1C(=O)NCc1cccc(Br)c1O ZINC000296607982 465226702 /nfs/dbraw/zinc/22/67/02/465226702.db2.gz GMEZXHOHYDYYFH-UHFFFAOYSA-N 0 0 339.193 2.005 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NCCCN1CCOC1=O ZINC000066703487 462921955 /nfs/dbraw/zinc/92/19/55/462921955.db2.gz ZUKPZXKZBYPTDR-UHFFFAOYSA-N 0 0 335.404 2.156 10 10 EECERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000026401303 463160797 /nfs/dbraw/zinc/16/07/97/463160797.db2.gz UGKHVSJRNMVZRM-YJBOKZPZSA-N 0 0 347.459 2.232 10 10 EECERN CCc1noc(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000069821674 463333890 /nfs/dbraw/zinc/33/38/90/463333890.db2.gz DVFLGEFUWFMMIG-UHFFFAOYSA-N 0 0 343.431 2.356 10 10 EECERN C[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000071796091 463425872 /nfs/dbraw/zinc/42/58/72/463425872.db2.gz VVJCHPWLNLPPQZ-MAUKXSAKSA-N 0 0 347.459 2.405 10 10 EECERN Nc1ccc(CCNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 ZINC000152508345 463698979 /nfs/dbraw/zinc/69/89/79/463698979.db2.gz PPHBQHNUZHEGAQ-HNNXBMFYSA-N 0 0 327.359 2.193 10 10 EECERN COCCc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1 ZINC000280564219 464218704 /nfs/dbraw/zinc/21/87/04/464218704.db2.gz KTDWIPSIBKMTCT-UHFFFAOYSA-N 0 0 337.397 2.391 10 10 EECERN NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000273150935 464706956 /nfs/dbraw/zinc/70/69/56/464706956.db2.gz HSFCUCUKTJPTRT-MRXNPFEDSA-N 0 0 341.411 2.214 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112663498 533721453 /nfs/dbraw/zinc/72/14/53/533721453.db2.gz FBVMUQSOWSZIBA-INIZCTEOSA-N 0 0 335.411 2.430 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCNC(=O)C2)cc1)c1cccs1 ZINC000072291293 526080327 /nfs/dbraw/zinc/08/03/27/526080327.db2.gz QAMXKTFZEGSBNO-ZDUSSCGKSA-N 0 0 343.452 2.104 10 10 EECERN CC1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)COC1 ZINC000112753294 527946192 /nfs/dbraw/zinc/94/61/92/527946192.db2.gz CACLBIMAKZPZSM-HNNXBMFYSA-N 0 0 334.416 2.119 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000730065919 576711802 /nfs/dbraw/zinc/71/18/02/576711802.db2.gz BROZUUOJNXLYSY-HOCLYGCPSA-N 0 0 333.432 2.062 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000734501147 577303759 /nfs/dbraw/zinc/30/37/59/577303759.db2.gz FJBYFPWYUIXNNY-ZDUSSCGKSA-N 0 0 325.478 2.127 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCC[C@@H](C)[S@](C)=O)cc1 ZINC000765677598 577504912 /nfs/dbraw/zinc/50/49/12/577504912.db2.gz FFOGPQLGZFFCGJ-FATZIPQQSA-N 0 0 339.505 2.489 10 10 EECERN CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(OCC)ccc1O ZINC000763482212 577721796 /nfs/dbraw/zinc/72/17/96/577721796.db2.gz XDNSAOKDLFPQHB-KRWDZBQOSA-N 0 0 344.411 2.450 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1F ZINC000177465248 675914320 /nfs/dbraw/zinc/91/43/20/675914320.db2.gz QVKPDNYWLPCCPL-OAHLLOKOSA-N 0 0 345.422 2.462 10 10 EECERN Cc1cnn(CCC(=O)NCc2cc(Br)ccc2O)c1 ZINC000804735241 675609380 /nfs/dbraw/zinc/60/93/80/675609380.db2.gz RLCOYUGKJNRGBJ-UHFFFAOYSA-N 0 0 338.205 2.366 10 10 EECERN COC(=O)[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC000926611272 679754159 /nfs/dbraw/zinc/75/41/59/679754159.db2.gz JTPNPHPGOYMLDC-PSASIEDQSA-N 0 0 335.381 2.194 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000924422188 678379791 /nfs/dbraw/zinc/37/97/91/678379791.db2.gz CGGLROVKFGMCKU-GOSISDBHSA-N 0 0 334.368 2.102 10 10 EECERN COC(=O)c1cncc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000178614600 678508885 /nfs/dbraw/zinc/50/88/85/678508885.db2.gz ZYTQVAUEYHURSW-UHFFFAOYSA-N 0 0 328.372 2.256 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCC2(CCOCC2)CO1 ZINC000914388903 683541803 /nfs/dbraw/zinc/54/18/03/683541803.db2.gz IMKVNDACXKUYCK-TXTHVTMNSA-N 0 0 347.411 2.203 10 10 EECERN C[C@@H](NC(=O)N1CCC(=O)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000914400494 683559612 /nfs/dbraw/zinc/55/96/12/683559612.db2.gz MMSMYOSHILDLRI-LSDHHAIUSA-N 0 0 345.443 2.205 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc3nnn(C)c3c2)cc1F ZINC000183409155 684274143 /nfs/dbraw/zinc/27/41/43/684274143.db2.gz CFSNJDAUJWDUJY-UHFFFAOYSA-N 0 0 327.363 2.103 10 10 EECERN CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)[n-]1 ZINC000895240973 684361760 /nfs/dbraw/zinc/36/17/60/684361760.db2.gz HRTHGFVJHKVHDG-GFCCVEGCSA-N 0 0 331.420 2.207 10 10 EECERN CC1(C)CC(=O)NCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000895399211 684586357 /nfs/dbraw/zinc/58/63/57/684586357.db2.gz KYTWQBZYILAMIP-UHFFFAOYSA-N 0 0 345.212 2.394 10 10 EECERN CC(=O)N1CCC(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896188245 684888245 /nfs/dbraw/zinc/88/82/45/684888245.db2.gz ZSDKJOOIZDTZQU-UHFFFAOYSA-N 0 0 348.424 2.301 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000896964349 686014792 /nfs/dbraw/zinc/01/47/92/686014792.db2.gz BFCBHARTKRHJGY-QWRGUYRKSA-N 0 0 346.408 2.196 10 10 EECERN CC(C)CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000897453563 690557805 /nfs/dbraw/zinc/55/78/05/690557805.db2.gz OGICONVFUXXELH-UHFFFAOYSA-N 0 0 348.424 2.253 10 10 EECERN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N[C@H](C)c3ccccc3O)[C@@H]2C1 ZINC000897744380 691777857 /nfs/dbraw/zinc/77/78/57/691777857.db2.gz ZRCMFGRYYNWHAR-AMVBZWJASA-N 0 0 332.400 2.340 10 10 EECERN CN(Cc1nc2c(s1)CCCC2)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841056759 692920073 /nfs/dbraw/zinc/92/00/73/692920073.db2.gz DCFJNIQEGCICFE-UHFFFAOYSA-N 0 0 344.440 2.201 10 10 EECERN CC(C)CC(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001687370667 1178923024 /nfs/dbraw/zinc/92/30/24/1178923024.db2.gz MRRAYTAYEVYGII-UHFFFAOYSA-N 0 0 347.419 2.473 10 10 EECERN CN(CC(=O)NC1CCCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000072878898 1193098579 /nfs/dbraw/zinc/09/85/79/1193098579.db2.gz UQLHNTXUXMOHOI-UHFFFAOYSA-N 0 0 345.487 2.404 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCCC23CC3)c1 ZINC000863775034 1197864098 /nfs/dbraw/zinc/86/40/98/1197864098.db2.gz HNJWIBMUJFTOGR-NSHDSACASA-N 0 0 338.429 2.074 10 10 EECERN COC(=O)[C@](C)(NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000794711484 1197904790 /nfs/dbraw/zinc/90/47/90/1197904790.db2.gz MZIRLQCOMMYOEX-QGZVFWFLSA-N 0 0 333.315 2.055 10 10 EECERN COC(=O)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C1CCCCC1 ZINC000863939912 1197931455 /nfs/dbraw/zinc/93/14/55/1197931455.db2.gz RAOGJXLUTVMWNH-NSHDSACASA-N 0 0 339.363 2.336 10 10 EECERN CO[C@@H]1CN2C(=O)N(Cc3ccc(N4CC=CC4)cc3)C(=O)[C@]2(C)C1 ZINC000865304390 1198161423 /nfs/dbraw/zinc/16/14/23/1198161423.db2.gz UWCGHRPWGZAYLT-LPHOPBHVSA-N 0 0 341.411 2.004 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000825679339 1198622719 /nfs/dbraw/zinc/62/27/19/1198622719.db2.gz PVRJTVJMOIMLDE-UHFFFAOYSA-N 0 0 343.427 2.281 10 10 EECERN C/C(=C\C(=O)N(C)c1ccc(N2CCOCC2)cc1)c1cnccn1 ZINC000875854805 1199410426 /nfs/dbraw/zinc/41/04/26/1199410426.db2.gz LKMUWONHIREYNK-FYWRMAATSA-N 0 0 338.411 2.380 10 10 EECERN CCOC(=O)C1(CC(=O)NCc2cc(C)ccc2O)CCOCC1 ZINC000869409900 1200068603 /nfs/dbraw/zinc/06/86/03/1200068603.db2.gz FWGICKLZTDEHKS-UHFFFAOYSA-N 0 0 335.400 2.067 10 10 EECERN C[C@H](NC(=O)N1CC[C@@H](O)C1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000812878815 1200964413 /nfs/dbraw/zinc/96/44/13/1200964413.db2.gz IDAMIIJLPZXHBI-WMLDXEAASA-N 0 0 347.459 2.139 10 10 EECERN O=C(c1ccoc1)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871199325 1201096054 /nfs/dbraw/zinc/09/60/54/1201096054.db2.gz WIMMINBKPZBCTP-UHFFFAOYSA-N 0 0 340.379 2.380 10 10 EECERN CC1(C)CNC(=O)c2c(C(=O)N3Cc4cccc(O)c4C3)coc2C1 ZINC000871199248 1201096397 /nfs/dbraw/zinc/09/63/97/1201096397.db2.gz OUQAXBAHWJFXIR-UHFFFAOYSA-N 0 0 340.379 2.453 10 10 EECERN O=C(NC1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1)C1CC1 ZINC000871205643 1201099797 /nfs/dbraw/zinc/09/97/97/1201099797.db2.gz WJEFIQZXNMYDIM-UHFFFAOYSA-N 0 0 328.412 2.319 10 10 EECERN O=S(=O)(c1ccc(N2Cc3cccc(O)c3C2)nc1)N1CCCC1 ZINC000866119285 1201438964 /nfs/dbraw/zinc/43/89/64/1201438964.db2.gz MUHOLYVQDLRBCX-UHFFFAOYSA-N 0 0 345.424 2.092 10 10 EECERN CC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc(Cl)c1[O-] ZINC000866520841 1201539174 /nfs/dbraw/zinc/53/91/74/1201539174.db2.gz IPBTZMXVRZWUJN-BBRMVZONSA-N 0 0 340.807 2.308 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000866530664 1201542531 /nfs/dbraw/zinc/54/25/31/1201542531.db2.gz BCKJFXPHRPHKEA-HIFRSBDPSA-N 0 0 349.427 2.415 10 10 EECERN C[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)c1ccccc1O ZINC000867833841 1201690299 /nfs/dbraw/zinc/69/02/99/1201690299.db2.gz BYKAEIULYOJJII-LBPRGKRZSA-N 0 0 332.425 2.424 10 10 EECERN CCO[C@H]1COCC[C@H]1CC(=O)NCc1ccc2cccnc2c1O ZINC000868937271 1201908915 /nfs/dbraw/zinc/90/89/15/1201908915.db2.gz HYBQKLPHVBTLQV-HOCLYGCPSA-N 0 0 344.411 2.388 10 10 EECERN CC(=O)C(=O)COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC000924161545 1205940329 /nfs/dbraw/zinc/94/03/29/1205940329.db2.gz YZLGUMOBJQSKNX-LBPRGKRZSA-N 0 0 329.393 2.017 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](CC2CCOCC2)C1=O ZINC000924673049 1206015558 /nfs/dbraw/zinc/01/55/58/1206015558.db2.gz UIVJUXWHUSUWPU-QGZVFWFLSA-N 0 0 345.443 2.298 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccccc1N1CCOCC1 ZINC000928711199 1206413903 /nfs/dbraw/zinc/41/39/03/1206413903.db2.gz HEXCGVMMNWTQQH-UHFFFAOYSA-N 0 0 330.359 2.298 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3ccc(C=O)cn3)CC2)cc1 ZINC000930309154 1206548512 /nfs/dbraw/zinc/54/85/12/1206548512.db2.gz GQXZSPFMVZOQJH-UHFFFAOYSA-N 0 0 339.395 2.255 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3cncc(C=O)c3)CC2)cc1 ZINC000931577881 1207417573 /nfs/dbraw/zinc/41/75/73/1207417573.db2.gz ZMMWCAGAPWRKCP-UHFFFAOYSA-N 0 0 339.395 2.302 10 10 EECERN CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3cc(F)cc(C(C)=O)c3O)C[C@@H]21 ZINC000932062342 1207527883 /nfs/dbraw/zinc/52/78/83/1207527883.db2.gz ISPYWRJZAXIECW-VNQPRFMTSA-N 0 0 335.375 2.365 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1F ZINC000081489529 1211219572 /nfs/dbraw/zinc/21/95/72/1211219572.db2.gz QDFVZGONKXLMEW-AWEZNQCLSA-N 0 0 349.328 2.100 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000795207488 1212093909 /nfs/dbraw/zinc/09/39/09/1212093909.db2.gz WOFYDPGTEBHQTB-HSBHDXMMSA-N 0 0 332.356 2.254 10 10 EECERN CS[C@@H](CO)[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000305184424 1216154106 /nfs/dbraw/zinc/15/41/06/1216154106.db2.gz XFEPBVIWBMNTKA-GWCFXTLKSA-N 0 0 333.413 2.093 10 10 EECERN COc1ccc(N(CCC(C)C)C[C@H](O)CN2CCOCC2)cc1 ZINC000796506281 1220136222 /nfs/dbraw/zinc/13/62/22/1220136222.db2.gz YDUGBQFUCCTZCK-GOSISDBHSA-N 0 0 336.476 2.241 10 10 EECERN Fc1cc(CN2CCc3nccnc3C2)ccc1N1CCOCC1 ZINC000827691750 1248647143 /nfs/dbraw/zinc/64/71/43/1248647143.db2.gz AUKAQJATFSQPLO-UHFFFAOYSA-N 0 0 328.391 2.011 10 10 EECERN COc1ccc(N(C[C@@H]2CCN(S(C)(=O)=O)C2)C(C)C)cc1F ZINC000801522594 1235779691 /nfs/dbraw/zinc/77/96/91/1235779691.db2.gz WCJZEPHHDJHXHK-CYBMUJFWSA-N 0 0 344.452 2.331 10 10 EECERN COC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000802310786 1237245760 /nfs/dbraw/zinc/24/57/60/1237245760.db2.gz ZRSDSZMGIKIBPU-APPZFPTMSA-N 0 0 338.629 2.466 10 10 EECERN OCC1CCN(c2ccc(CNCc3cc4n(n3)CCC4)cc2)CC1 ZINC000850072773 1277017129 /nfs/dbraw/zinc/01/71/29/1277017129.db2.gz KTGCSCJYTVZPGF-UHFFFAOYSA-N 0 0 340.471 2.328 10 10 EECERN COCCN(CCF)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000851643075 1277698098 /nfs/dbraw/zinc/69/80/98/1277698098.db2.gz KXXZZHRXLZMYJL-UHFFFAOYSA-N 0 0 337.420 2.374 10 10 EECERN COc1cc(N(C)C[C@H](OC)[C@H]2CCOC2)cc(OC)c1OC ZINC000851784889 1291831005 /nfs/dbraw/zinc/83/10/05/1291831005.db2.gz WMAIRGBPIOPXFZ-LRDDRELGSA-N 0 0 325.405 2.200 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cn[nH]c3)C2)cc1 ZINC000852229317 1292053695 /nfs/dbraw/zinc/05/36/95/1292053695.db2.gz RHEIQJNCARTNCQ-JSGCOSHPSA-N 0 0 329.404 2.057 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](OC)C[C@H]3C)C2)cc1 ZINC000852451118 1292117541 /nfs/dbraw/zinc/11/75/41/1292117541.db2.gz DPRDFXAGDVJXJX-RVKKMQEKSA-N 0 0 347.459 2.483 10 10 EECERN Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]4COC[C@@H]4C3)cs2)cc1 ZINC000852864809 1292218991 /nfs/dbraw/zinc/21/89/91/1292218991.db2.gz IPLKOAJFGLFGPJ-KGLIPLIRSA-N 0 0 343.452 2.425 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000854193708 1292667844 /nfs/dbraw/zinc/66/78/44/1292667844.db2.gz GOQOTKOWXHVVQS-MUJYYYPQSA-N 0 0 329.444 2.245 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(O)CCC[C@@H]3C)C2)cc1 ZINC000854297017 1292707593 /nfs/dbraw/zinc/70/75/93/1292707593.db2.gz IIJAPQMMAWJJFF-YZVOILCLSA-N 0 0 347.459 2.124 10 10 EECERN CC[C@@]1(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000854299140 1292710145 /nfs/dbraw/zinc/71/01/45/1292710145.db2.gz MFHUSRVHIFSCDP-RDTXWAMCSA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCCO[C@H](C)C3)C2)cc1 ZINC000854300791 1292712520 /nfs/dbraw/zinc/71/25/20/1292712520.db2.gz AJCAALMQYLGPDG-CABCVRRESA-N 0 0 333.432 2.094 10 10 EECERN Cc1cc(CC(=O)N2CCO[C@H]([C@H](C)O)C2)c(C)n1-c1ccccc1 ZINC000854950592 1292998990 /nfs/dbraw/zinc/99/89/90/1292998990.db2.gz LMVUXZKWWHKKLP-LPHOPBHVSA-N 0 0 342.439 2.245 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](OC)C1CCC1 ZINC000854987265 1293022862 /nfs/dbraw/zinc/02/28/62/1293022862.db2.gz AQGJIBYDGOFHEN-QGZVFWFLSA-N 0 0 335.400 2.099 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccnn3C(F)F)C2)cc1 ZINC000855226351 1293118592 /nfs/dbraw/zinc/11/85/92/1293118592.db2.gz RKWXZKOVQAOQLZ-NSHDSACASA-N 0 0 336.342 2.296 10 10 EECERN CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc(=O)[nH]1 ZINC000855228000 1293119472 /nfs/dbraw/zinc/11/94/72/1293119472.db2.gz SVZLIXHOQLDPIQ-OAHLLOKOSA-N 0 0 341.411 2.367 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4O3)C2)cc1 ZINC000855229111 1293120791 /nfs/dbraw/zinc/12/07/91/1293120791.db2.gz KDRSQSDNMXWXKW-KXBFYZLASA-N 0 0 338.407 2.394 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnn4c3CCCC4)C2)cc1 ZINC000855233647 1293123117 /nfs/dbraw/zinc/12/31/17/1293123117.db2.gz JXAAYKCDDYQWGW-CQSZACIVSA-N 0 0 340.427 2.237 10 10 EECERN CCn1nc(C)cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210411 1293445359 /nfs/dbraw/zinc/44/53/59/1293445359.db2.gz AVPVVQSKTRGCDT-UHFFFAOYSA-N 0 0 342.443 2.103 10 10 EECERN C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)c(F)cc1[O-] ZINC000858494709 1294133870 /nfs/dbraw/zinc/13/38/70/1294133870.db2.gz MOZNCQZFCVORMX-FXQIFTODSA-N 0 0 331.185 2.208 10 10 EECERN CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000858509707 1294138740 /nfs/dbraw/zinc/13/87/40/1294138740.db2.gz RVZSLTMQLIZWRS-RISCZKNCSA-N 0 0 333.384 2.481 10 10 EECERN Cc1ccc(O)c(CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000858612075 1294168199 /nfs/dbraw/zinc/16/81/99/1294168199.db2.gz GKOONURANQMNBV-HIFRSBDPSA-N 0 0 326.343 2.314 10 10 EECERN Cc1ccc(O)c(CNC(=O)NC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000858675727 1294188347 /nfs/dbraw/zinc/18/83/47/1294188347.db2.gz XYCVYSPCNMTZQP-CYBMUJFWSA-N 0 0 342.321 2.500 10 10 EECERN COc1cccc(CNC(=O)Nc2cnc(OC)c(OC)c2)c1O ZINC000861416623 1295396065 /nfs/dbraw/zinc/39/60/65/1295396065.db2.gz GWVIVNPOKLLBHM-UHFFFAOYSA-N 0 0 333.344 2.135 10 10 EECERN Cc1cn2c(n1)C[C@H](C(=O)NCc1ccc3cccnc3c1O)CC2 ZINC000862025059 1295658689 /nfs/dbraw/zinc/65/86/89/1295658689.db2.gz GMGILTXRVXWMAW-CQSZACIVSA-N 0 0 336.395 2.324 10 10 EECERN Cc1ccc(O)c(CNC(=O)C(=O)Nc2cncc3c2CCCC3)c1 ZINC000862025495 1295660979 /nfs/dbraw/zinc/66/09/79/1295660979.db2.gz WMSNQRVPIVQEEK-UHFFFAOYSA-N 0 0 339.395 2.229 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000862546803 1295874676 /nfs/dbraw/zinc/87/46/76/1295874676.db2.gz SVBXZYQBEJPUTJ-GHMZBOCLSA-N 0 0 326.190 2.068 10 10 EECERN Cc1cc(CC(=O)NC[C@H](O)[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000862654110 1295917606 /nfs/dbraw/zinc/91/76/06/1295917606.db2.gz MAGPUDUYYLFQEU-RBUKOAKNSA-N 0 0 342.439 2.293 10 10 EECERN CC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001233666475 1304552660 /nfs/dbraw/zinc/55/26/60/1304552660.db2.gz GJULEHMOYGQZFZ-QGZVFWFLSA-N 0 0 344.459 2.049 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCC(c3nnnn3C)CC2)c1O ZINC001119266171 1309035631 /nfs/dbraw/zinc/03/56/31/1309035631.db2.gz ZCNZAHNPMQFWCI-UHFFFAOYSA-N 0 0 349.822 2.151 10 10 EECERN O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1c(F)ccc(O)c1O ZINC001161103595 1320384678 /nfs/dbraw/zinc/38/46/78/1320384678.db2.gz VFEBSGHFLVMENX-GFCCVEGCSA-N 0 0 343.713 2.493 10 10 EECERN CCN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1ccc(O)c(O)c1 ZINC001292877276 1328536930 /nfs/dbraw/zinc/53/69/30/1328536930.db2.gz AGGUFDPSFRNPES-CQSZACIVSA-N 0 0 343.379 2.329 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000840380629 1315359149 /nfs/dbraw/zinc/35/91/49/1315359149.db2.gz AVLFXSFQAXOTCK-QFASTRKPSA-N 0 0 346.383 2.378 10 10 EECERN COCc1cc(O)ccc1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000840914571 1315434263 /nfs/dbraw/zinc/43/42/63/1315434263.db2.gz BVMLHVXAPQHTGJ-UHFFFAOYSA-N 0 0 348.424 2.254 10 10 EECERN Cc1cc(O)c(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(Cl)c1 ZINC000840948023 1315443056 /nfs/dbraw/zinc/44/30/56/1315443056.db2.gz JKPZZYWMWJCYEG-GFCCVEGCSA-N 0 0 346.880 2.210 10 10 EECERN Nc1ccc(CCNC(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000841906412 1315634853 /nfs/dbraw/zinc/63/48/53/1315634853.db2.gz PWRXOLBSJFTXHK-INIZCTEOSA-N 0 0 329.375 2.253 10 10 EECERN CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001149307963 1315943410 /nfs/dbraw/zinc/94/34/10/1315943410.db2.gz GMAZGPJBHAJPKP-LBPRGKRZSA-N 0 0 346.349 2.125 10 10 EECERN Cc1nc2cc(C(=O)NCCc3ccc(O)c(O)c3)ccc2c(=O)[nH]1 ZINC001150487267 1316278043 /nfs/dbraw/zinc/27/80/43/1316278043.db2.gz CSXLHAUEEOGZBQ-UHFFFAOYSA-N 0 0 339.351 2.028 10 10 EECERN C[C@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c21)c1ccc(N(C)C)cc1 ZINC001154669335 1317257439 /nfs/dbraw/zinc/25/74/39/1317257439.db2.gz XIYGFRUPVBISMQ-JTQLQIEISA-N 0 0 325.372 2.221 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC001156881247 1318256795 /nfs/dbraw/zinc/25/67/95/1318256795.db2.gz VSWXVCJOYHZFTN-CYBMUJFWSA-N 0 0 344.367 2.002 10 10 EECERN O=C(Cc1c[nH]c2nccc(Cl)c12)NCc1ccc(O)cc1O ZINC001299574392 1319527557 /nfs/dbraw/zinc/52/75/57/1319527557.db2.gz QIEYZEAVIOWCEU-UHFFFAOYSA-N 0 0 331.759 2.486 10 10 EECERN Cc1ccc(NS(C)(=O)=O)c(NC(=O)C2=CC(=O)CS2)c1 ZINC001294016765 1328856369 /nfs/dbraw/zinc/85/63/69/1328856369.db2.gz GERZQRXOUARYFF-UHFFFAOYSA-N 0 0 326.399 2.386 10 10 EECERN CC(C)C(=O)Nc1cc(C(=O)NCc2ccc(O)cc2O)ccn1 ZINC001162277961 1320803911 /nfs/dbraw/zinc/80/39/11/1320803911.db2.gz FELATVKLBFNORF-UHFFFAOYSA-N 0 0 329.356 2.017 10 10 EECERN Cn1ccnc1[C@@H](CC(=O)NCc1cccc(O)c1O)C(F)(F)F ZINC001263894780 1322549382 /nfs/dbraw/zinc/54/93/82/1322549382.db2.gz VMZJHFSTMUMIEH-SNVBAGLBSA-N 0 0 343.305 2.184 10 10 EECERN O=C(Cc1c[nH]c2nccc(Cl)c12)NCc1ccc(O)c(O)c1 ZINC001294868361 1329175388 /nfs/dbraw/zinc/17/53/88/1329175388.db2.gz DODAEUHGNQFWKY-UHFFFAOYSA-N 0 0 331.759 2.486 10 10 EECERN C/C=C(\C)C(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001284016465 1326364358 /nfs/dbraw/zinc/36/43/58/1326364358.db2.gz LQEABYCHIRTGOQ-PIKLVLMUSA-N 0 0 343.387 2.146 10 10 EECERN CC[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284265573 1326480565 /nfs/dbraw/zinc/48/05/65/1326480565.db2.gz DWZJOEZQXXTHPK-QWRGUYRKSA-N 0 0 333.392 2.130 10 10 EECERN CC(C)Oc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1C(N)=O ZINC001296900939 1329931716 /nfs/dbraw/zinc/93/17/16/1329931716.db2.gz COEFYMVWAWIWKQ-UHFFFAOYSA-N 0 0 344.367 2.165 10 10 EECERN O=C(NCc1c(O)cccc1O)C1(c2ccc3c(c2)OCCO3)CC1 ZINC001304053240 1331374859 /nfs/dbraw/zinc/37/48/59/1331374859.db2.gz FLYFKPDWSFHRRN-UHFFFAOYSA-N 0 0 341.363 2.217 10 10 EECERN COc1ccc(N2CCN(CC[S@](=O)C(F)(F)F)CC2)cc1 ZINC000905873774 1331766488 /nfs/dbraw/zinc/76/64/88/1331766488.db2.gz FRJDELKDTVLCGS-QFIPXVFZSA-N 0 0 336.379 2.086 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2C[C@@H]2C)cc1 ZINC001323332813 1333443210 /nfs/dbraw/zinc/44/32/10/1333443210.db2.gz OXCTXRYHBLUXNV-GOEBONIOSA-N 0 0 331.460 2.263 10 10 EECERN CC(C)[C@H](NC(=O)C(=O)NCCCSc1nccs1)C1CC1 ZINC001328035705 1334382007 /nfs/dbraw/zinc/38/20/07/1334382007.db2.gz KGYOEZRLSUZLRU-LBPRGKRZSA-N 0 0 341.502 2.292 10 10 EECERN Cc1cc(CC(=O)N2CN(C)C(=O)[C@H]2C)c(C)n1-c1ccccc1 ZINC001328896520 1334543103 /nfs/dbraw/zinc/54/31/03/1334543103.db2.gz LUFAUMMABHVRQT-OAHLLOKOSA-N 0 0 325.412 2.283 10 10 EECERN COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC001329637160 1334688781 /nfs/dbraw/zinc/68/87/81/1334688781.db2.gz OVYYLAHCHZWKNE-MRXNPFEDSA-N 0 0 341.429 2.274 10 10 EECERN O=Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)nc1 ZINC001334141129 1336211466 /nfs/dbraw/zinc/21/14/66/1336211466.db2.gz GHPJKPZXBNTXPE-UHFFFAOYSA-N 0 0 341.436 2.377 10 10 EECERN CC1(C)CO[C@@H](CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001350574435 1337725939 /nfs/dbraw/zinc/72/59/39/1337725939.db2.gz RXIMJTODEPWCMA-KRWDZBQOSA-N 0 0 332.444 2.345 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@](C)(C(=O)[O-])C2)cc1F ZINC001350668647 1337735242 /nfs/dbraw/zinc/73/52/42/1337735242.db2.gz TYDGQECVHAJLPN-BZNIZROVSA-N 0 0 328.359 2.143 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cccc(Cn3ccnn3)c2)cc1 ZINC001355879341 1338762992 /nfs/dbraw/zinc/76/29/92/1338762992.db2.gz WLLGSBPWBQKSID-UHFFFAOYSA-N 0 0 335.411 2.322 10 10 EECERN CCCOc1ccnc(CC(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC001617047539 1352335086 /nfs/dbraw/zinc/33/50/86/1352335086.db2.gz OKVBKPJAFYURQA-UHFFFAOYSA-N 0 0 342.443 2.499 10 10 EECERN Cc1ccc(Br)nc1C(=O)NCc1ccc(O)cc1O ZINC001557085023 1342440781 /nfs/dbraw/zinc/44/07/81/1342440781.db2.gz YVQAOPCLFBYQMT-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN CC[C@](O)(CCC(F)(F)F)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001558608789 1342485030 /nfs/dbraw/zinc/48/50/30/1342485030.db2.gz NCLOIHXQTDSITM-AWEZNQCLSA-N 0 0 335.322 2.240 10 10 EECERN Cn1cncc1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001625657704 1352454717 /nfs/dbraw/zinc/45/47/17/1352454717.db2.gz VFBBDHHGBJNMEH-UHFFFAOYSA-N 0 0 332.367 2.311 10 10 EECERN CN1C(=O)CCc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc21 ZINC001627463159 1352497761 /nfs/dbraw/zinc/49/77/61/1352497761.db2.gz GMBPBYAQNCORNC-UHFFFAOYSA-N 0 0 326.352 2.188 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001633818767 1352617986 /nfs/dbraw/zinc/61/79/86/1352617986.db2.gz LBFBJYBAEDUWME-NSHDSACASA-N 0 0 340.383 2.187 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOC2(CCSCC2)C1 ZINC001636657083 1352667964 /nfs/dbraw/zinc/66/79/64/1352667964.db2.gz CNYYPIGMZWNWEO-ZDUSSCGKSA-N 0 0 337.441 2.201 10 10 EECERN Cc1ccc(C(=O)Nc2cc(Br)nn2C)c(O)c1O ZINC001641250308 1352720098 /nfs/dbraw/zinc/72/00/98/1352720098.db2.gz GLHJCOKSMYHYNF-UHFFFAOYSA-N 0 0 326.150 2.155 10 10 EECERN CN(Cc1ccccc1O)c1ccc2nnc(Br)n2n1 ZINC001642458276 1352731334 /nfs/dbraw/zinc/73/13/34/1352731334.db2.gz HEUQWPQYEXLLLG-UHFFFAOYSA-N 0 0 334.177 2.229 10 10 EECERN CC(C)(C)OC(=O)NC1(C(=O)NCc2c(O)cccc2O)CCC1 ZINC001645363343 1352777170 /nfs/dbraw/zinc/77/71/70/1352777170.db2.gz RIPILUGDLBUQAL-UHFFFAOYSA-N 0 0 336.388 2.161 10 10 EECERN NC(=O)c1cnc(C(=O)NCc2cccc(Cl)c2O)c(Cl)c1 ZINC001647830031 1353404152 /nfs/dbraw/zinc/40/41/52/1353404152.db2.gz FLSZAHVJFQRLDG-UHFFFAOYSA-N 0 0 340.166 2.123 10 10 EECERN Nc1c(Cl)cc(C(=O)NCc2cc(O)ccc2O)cc1[N+](=O)[O-] ZINC001651225622 1354045102 /nfs/dbraw/zinc/04/51/02/1354045102.db2.gz QUFNMMOOEYVQCB-UHFFFAOYSA-N 0 0 337.719 2.172 10 10 EECERN Cn1cc(C(=O)NCc2c(O)cccc2F)c2ccccc2c1=O ZINC001652297981 1354085931 /nfs/dbraw/zinc/08/59/31/1354085931.db2.gz CUVCZQBCSWYELY-UHFFFAOYSA-N 0 0 326.327 2.313 10 10 EECERN CNC(=O)N[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001660142860 1354403142 /nfs/dbraw/zinc/40/31/42/1354403142.db2.gz UDPBICQEXDIFDP-ZDUSSCGKSA-N 0 0 339.823 2.142 10 10 EECERN CC(=O)NCc1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC001683770475 1358199957 /nfs/dbraw/zinc/19/99/57/1358199957.db2.gz UQNJANZSSBLALC-UHFFFAOYSA-N 0 0 327.384 2.028 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1 ZINC001167293499 757707456 /nfs/dbraw/zinc/70/74/56/757707456.db2.gz GSYDDOICAYMYGW-UHFFFAOYSA-N 0 0 337.372 2.173 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3cn4c(n3)CCC4)C2)cc1 ZINC000843609524 760308708 /nfs/dbraw/zinc/30/87/08/760308708.db2.gz YMDQIAOARJBFEA-AWEZNQCLSA-N 0 0 340.427 2.094 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]1(OC(C)C)CCOC1 ZINC000919082134 769574503 /nfs/dbraw/zinc/57/45/03/769574503.db2.gz VOZROJLATJGEEO-IBGZPJMESA-N 0 0 349.475 2.444 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H](CO)CC[C@H]2CO)cc1 ZINC001143556147 780963261 /nfs/dbraw/zinc/96/32/61/780963261.db2.gz OSKNXGAEVNHMHP-ROUUACIJSA-N 0 0 328.412 2.052 10 10 EECERN C/C(=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CN1CCOCC1 ZINC000907493338 784674576 /nfs/dbraw/zinc/67/45/76/784674576.db2.gz QTSJVPRLFMQYHH-KGAUPUERSA-N 0 0 331.460 2.208 10 10 EECERN CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819590260 785599119 /nfs/dbraw/zinc/59/91/19/785599119.db2.gz JYQKZCYWTHYMRZ-OLMNPRSZSA-N 0 0 332.444 2.453 10 10 EECERN CNC(=O)c1cccnc1NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819933908 785699991 /nfs/dbraw/zinc/69/99/91/785699991.db2.gz AILPNAJJNYUUJV-CQSZACIVSA-N 0 0 340.427 2.388 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)NCC[C@@H]3CCOC3)C2)cc1 ZINC000823462636 787761596 /nfs/dbraw/zinc/76/15/96/787761596.db2.gz WIANFNHGLXFRNL-HZPDHXFCSA-N 0 0 347.459 2.247 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCOC[C@@H]3C)C2)cc1 ZINC000823509450 787795667 /nfs/dbraw/zinc/79/56/67/787795667.db2.gz NUVNWOUSNUFLHV-HDMKZQKVSA-N 0 0 347.459 2.246 10 10 EECERN CCOC(=O)CN(CCc1ccnn1CC)Cc1ccccc1O ZINC000823575982 787803519 /nfs/dbraw/zinc/80/35/19/787803519.db2.gz GICMEUVSZUNYJM-UHFFFAOYSA-N 0 0 331.416 2.216 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC3(C)C)CC2)cc1 ZINC000824280482 788100928 /nfs/dbraw/zinc/10/09/28/788100928.db2.gz NHCAPHCXMGOZIZ-SFHVURJKSA-N 0 0 345.487 2.370 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000921545628 789157392 /nfs/dbraw/zinc/15/73/92/789157392.db2.gz UQINAMDYBYYTHP-BDJLRTHQSA-N 0 0 340.420 2.385 10 10 EECERN Nc1ccc(CC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 ZINC000157318596 789749143 /nfs/dbraw/zinc/74/91/43/789749143.db2.gz MRWUHTPGQLQSFE-UHFFFAOYSA-N 0 0 343.471 2.499 10 10 EECERN CCc1ccncc1NC(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000845857903 789967142 /nfs/dbraw/zinc/96/71/42/789967142.db2.gz LQXLQDWZSFSXGE-LLVKDONJSA-N 0 0 343.383 2.174 10 10 EECERN C[C@H](NC(=O)c1cccc(-n2cncn2)n1)c1ccc(N(C)C)cc1 ZINC001128247899 798512426 /nfs/dbraw/zinc/51/24/26/798512426.db2.gz VXECJJMEAHOSOM-ZDUSSCGKSA-N 0 0 336.399 2.219 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(c2c(F)cccc2F)CC1 ZINC001143142416 800304324 /nfs/dbraw/zinc/30/43/24/800304324.db2.gz GFXYSLKBBOXDJX-UHFFFAOYSA-N 0 0 348.349 2.267 10 10 EECERN COc1ccc(O)c(CNC(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000787448536 807122129 /nfs/dbraw/zinc/12/21/29/807122129.db2.gz DVPZYQSBLIDPCB-UHFFFAOYSA-N 0 0 328.368 2.314 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)N3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000792056653 809554212 /nfs/dbraw/zinc/55/42/12/809554212.db2.gz DFOAQGVERPCXKG-IYBDPMFKSA-N 0 0 346.475 2.010 10 10 EECERN COc1ccc(CNC(=O)c2cnc(-c3cnn(C)c3)s2)c(O)c1 ZINC000794373538 810801371 /nfs/dbraw/zinc/80/13/71/810801371.db2.gz JZOIEXZJSZPKIN-UHFFFAOYSA-N 0 0 344.396 2.188 10 10 EECERN COc1ncc(/C=C/C(=O)N2CCOc3c(F)c(F)ccc32)cn1 ZINC001129793973 810990973 /nfs/dbraw/zinc/99/09/73/810990973.db2.gz AEZWAZVMHGXTOB-GORDUTHDSA-N 0 0 333.294 2.202 10 10 EECERN COc1ncc(/C=C\C(=O)N2CCOc3c(F)c(F)ccc32)cn1 ZINC001129793971 810991341 /nfs/dbraw/zinc/99/13/41/810991341.db2.gz AEZWAZVMHGXTOB-DJWKRKHSSA-N 0 0 333.294 2.202 10 10 EECERN C[C@@H]1CC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000805863333 811591947 /nfs/dbraw/zinc/59/19/47/811591947.db2.gz AHTGKSAMUTWGSK-RDTXWAMCSA-N 0 0 331.460 2.493 10 10 EECERN C[C@@H](OCC(=O)NCCCSc1nccs1)c1nccn1C ZINC000806851308 812001082 /nfs/dbraw/zinc/00/10/82/812001082.db2.gz MZWJKIDOFBRKEX-LLVKDONJSA-N 0 0 340.474 2.253 10 10 EECERN CC(=O)C(=O)COC(=O)CSCc1ccc(Br)cc1 ZINC000808495409 812664819 /nfs/dbraw/zinc/66/48/19/812664819.db2.gz PNPYGKROLGDUAP-UHFFFAOYSA-N 0 0 345.214 2.384 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001566359643 1125597181 /nfs/dbraw/zinc/59/71/81/1125597181.db2.gz IRWXNSYMPBZFHN-UHFFFAOYSA-N 0 0 345.305 2.492 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@H](Cc2cncs2)C(=O)[O-])cc1F ZINC001330066703 1126175115 /nfs/dbraw/zinc/17/51/15/1126175115.db2.gz PWDUKZZOZNJPGB-CYBMUJFWSA-N 0 0 341.383 2.273 10 10 EECERN CC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCC(=O)CC1 ZINC001442238108 1096538694 /nfs/dbraw/zinc/53/86/94/1096538694.db2.gz YNKWLKTVIUDOLL-UHFFFAOYSA-N 0 0 330.428 2.289 10 10 EECERN O=C(Cc1cnn2ccccc12)NCc1ccc2cccnc2c1O ZINC001451953125 1098055825 /nfs/dbraw/zinc/05/58/25/1098055825.db2.gz LUNKJXURHUZBSP-UHFFFAOYSA-N 0 0 332.363 2.447 10 10 EECERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](CC(F)(F)F)O1 ZINC001453902507 1106569049 /nfs/dbraw/zinc/56/90/49/1106569049.db2.gz QVNODISRODCTPY-GXSJLCMTSA-N 0 0 333.306 2.209 10 10 EECERN Cc1cc(CNC[C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001498203954 1107076907 /nfs/dbraw/zinc/07/69/07/1107076907.db2.gz QHLYYSYECRLKRT-JTQLQIEISA-N 0 0 344.375 2.054 10 10 EECERN O=C(CCc1nc(-c2ccco2)no1)NCc1c(O)cccc1F ZINC001456082976 1109070919 /nfs/dbraw/zinc/07/09/19/1109070919.db2.gz CIZXZURNPOBCTC-UHFFFAOYSA-N 0 0 331.303 2.423 10 10 EECERN Cn1cnc(/C=C\C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1 ZINC001457141708 1109486188 /nfs/dbraw/zinc/48/61/88/1109486188.db2.gz RMSPNBDFCSQURA-ZPUOCTKUSA-N 0 0 333.395 2.460 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001464761825 1110402400 /nfs/dbraw/zinc/40/24/00/1110402400.db2.gz NTXXSQUKYKKAFW-QGZVFWFLSA-N 0 0 331.343 2.380 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001465297473 1110415197 /nfs/dbraw/zinc/41/51/97/1110415197.db2.gz AAJKOYJBDNNGTP-HNNXBMFYSA-N 0 0 329.352 2.447 10 10 EECERN COC(=O)N1CCC(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001467824804 1110464500 /nfs/dbraw/zinc/46/45/00/1110464500.db2.gz GLXUJMXAFRUJED-UHFFFAOYSA-N 0 0 347.375 2.057 10 10 EECERN Cc1cc(C(=O)N2CCN3C[C@@H](F)C[C@H]3C2)c(C)n1-c1ccccn1 ZINC001468315340 1110472313 /nfs/dbraw/zinc/47/23/13/1110472313.db2.gz DGQHNIBDZFMLNL-HOTGVXAUSA-N 0 0 342.418 2.357 10 10 EECERN C/C=C(\C)C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001510625565 1117819851 /nfs/dbraw/zinc/81/98/51/1117819851.db2.gz SMKQESIUHMMRKA-LAPUGDAXSA-N 0 0 345.403 2.392 10 10 EECERN C[C@@H]1C[C@H]1n1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O ZINC001512057409 1118381759 /nfs/dbraw/zinc/38/17/59/1118381759.db2.gz VKIBNLHOJFRQSX-MRVWCRGKSA-N 0 0 341.415 2.152 10 10 EECERN COCCNc1nc(CC(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC001540494270 1124084138 /nfs/dbraw/zinc/08/41/38/1124084138.db2.gz JBCWBKDVMMHVHR-UHFFFAOYSA-N 0 0 348.472 2.126 10 10 EECERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)N1CCCC[C@H]1C ZINC001542940493 1124118118 /nfs/dbraw/zinc/11/81/18/1124118118.db2.gz URJDTRCQYMEEFI-VXGBXAGGSA-N 0 0 345.403 2.368 10 10 EECERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)N1CCCC[C@@H]1C ZINC001542940491 1124118211 /nfs/dbraw/zinc/11/82/11/1124118211.db2.gz URJDTRCQYMEEFI-NWDGAFQWSA-N 0 0 345.403 2.368 10 10 EECERN COc1c(CN2CCN(c3ccc(OC)c(F)c3)CC2)c(C)nn1C ZINC000091923376 533416314 /nfs/dbraw/zinc/41/63/14/533416314.db2.gz OHWNZWKXFAHMKZ-UHFFFAOYSA-N 0 0 348.422 2.207 10 10 EECERN O=C(/C=C/c1cscn1)NCc1ccc(N2CCOCC2)cc1 ZINC000050605542 132179358 /nfs/dbraw/zinc/17/93/58/132179358.db2.gz KORSDECHCZKHHZ-ZZXKWVIFSA-N 0 0 329.425 2.309 10 10 EECERN Cc1ccncc1S(=O)(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000451257438 302292069 /nfs/dbraw/zinc/29/20/69/302292069.db2.gz COQLAAIIIBRBGU-UHFFFAOYSA-N 0 0 333.413 2.044 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CSC(=O)N1 ZINC000154705321 462799118 /nfs/dbraw/zinc/79/91/18/462799118.db2.gz FLUKNNMLNGJKFC-OAHLLOKOSA-N 0 0 333.457 2.460 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@H](C)CO)cc1F ZINC000077825025 463056993 /nfs/dbraw/zinc/05/69/93/463056993.db2.gz RZBJQBXTEVTUHX-OLZOCXBDSA-N 0 0 325.428 2.488 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000056392501 463398273 /nfs/dbraw/zinc/39/82/73/463398273.db2.gz QMCMSZRZXITLSB-YJBOKZPZSA-N 0 0 347.459 2.484 10 10 EECERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccccc1O)CC2 ZINC000161578306 463440789 /nfs/dbraw/zinc/44/07/89/463440789.db2.gz TYCUAQHHNOZIME-AWEZNQCLSA-N 0 0 343.431 2.264 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3c[nH]c(=O)cc3C)CC2)cc1 ZINC000177649831 463757307 /nfs/dbraw/zinc/75/73/07/463757307.db2.gz XCNUGLKHNBWLKK-UHFFFAOYSA-N 0 0 341.411 2.044 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000171901758 463945967 /nfs/dbraw/zinc/94/59/67/463945967.db2.gz QWWUPHREQGQWPJ-JWTNVVGKSA-N 0 0 329.444 2.484 10 10 EECERN Nc1ccc(CC(=O)N2CCn3c(nnc3-c3ccccc3)C2)cc1 ZINC000178854269 463993657 /nfs/dbraw/zinc/99/36/57/463993657.db2.gz CFVIQOFVLHPODG-UHFFFAOYSA-N 0 0 333.395 2.112 10 10 EECERN COCc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)ncn1 ZINC000543881534 468398422 /nfs/dbraw/zinc/39/84/22/468398422.db2.gz RUJQVTBOJATUTQ-UHFFFAOYSA-N 0 0 343.387 2.120 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000270722763 464265699 /nfs/dbraw/zinc/26/56/99/464265699.db2.gz IGDCZDPDWGUQMT-OAHLLOKOSA-N 0 0 340.427 2.285 10 10 EECERN Oc1cc2c(cc1CN1CCOC[C@H]1C[C@H](O)c1ccco1)OCO2 ZINC000271238383 464289336 /nfs/dbraw/zinc/28/93/36/464289336.db2.gz BNHNOPGFADJSFK-HIFRSBDPSA-N 0 0 347.367 2.038 10 10 EECERN Cc1cc(-c2nc(N(C)C)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000340186166 465856448 /nfs/dbraw/zinc/85/64/48/465856448.db2.gz RIULANQWXSTGEN-UHFFFAOYSA-N 0 0 328.397 2.327 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC2(C1)CCCOC2 ZINC000376686828 466925528 /nfs/dbraw/zinc/92/55/28/466925528.db2.gz JSPDKHBWUNBALX-UHFFFAOYSA-N 0 0 327.428 2.385 10 10 EECERN Cc1ccc(C(=O)NC[C@H](n2cccn2)C(F)(F)F)c(O)c1O ZINC000529624488 467887924 /nfs/dbraw/zinc/88/79/24/467887924.db2.gz UKXDEZHFQZHWFP-JTQLQIEISA-N 0 0 329.278 2.136 10 10 EECERN COc1cccc(CNC(=O)C[C@@H](NC(C)=O)c2ccccc2)c1O ZINC000729861139 576686105 /nfs/dbraw/zinc/68/61/05/576686105.db2.gz DUZBQXDHTRJWEX-MRXNPFEDSA-N 0 0 342.395 2.285 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2cncn2)cc1 ZINC000773742055 577362230 /nfs/dbraw/zinc/36/22/30/577362230.db2.gz QDHYGKNFBYDVGX-LBPRGKRZSA-N 0 0 338.367 2.040 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCC12OCCO2 ZINC000773784061 577364712 /nfs/dbraw/zinc/36/47/12/577364712.db2.gz CYUMLLFDKMAEME-KRWDZBQOSA-N 0 0 330.428 2.446 10 10 EECERN Cn1nccc1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000766805679 577524990 /nfs/dbraw/zinc/52/49/90/577524990.db2.gz SWLYTRNWCAICAQ-UHFFFAOYSA-N 0 0 332.367 2.311 10 10 EECERN C[C@@H](NCc1nnnn1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000766845206 577525768 /nfs/dbraw/zinc/52/57/68/577525768.db2.gz XWAARKMMLLLOBA-CQSZACIVSA-N 0 0 344.463 2.116 10 10 EECERN Cc1ccc(C(=O)OCc2cc(-c3cnn(C)c3)no2)c(O)c1O ZINC000769095870 577569435 /nfs/dbraw/zinc/56/94/35/577569435.db2.gz QSDDUWSXSRFHOA-UHFFFAOYSA-N 0 0 329.312 2.152 10 10 EECERN CS(=O)(=O)Nc1ccc(/C=C/C(=O)NCc2ccccc2O)cc1 ZINC000769361576 577575877 /nfs/dbraw/zinc/57/58/77/577575877.db2.gz OXIYLYSFHQKBMK-DHZHZOJOSA-N 0 0 346.408 2.093 10 10 EECERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000751384366 577751422 /nfs/dbraw/zinc/75/14/22/577751422.db2.gz CYNGBRMDOYLVCJ-QGZVFWFLSA-N 0 0 347.484 2.215 10 10 EECERN CN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCC1 ZINC000745690857 577917025 /nfs/dbraw/zinc/91/70/25/577917025.db2.gz FPWHXMYMTKHIPI-OAHLLOKOSA-N 0 0 344.459 2.082 10 10 EECERN O=C(NCC[C@@H](O)C(F)(F)F)NCc1ccc(N2CC=CC2)cc1 ZINC000740919508 578109229 /nfs/dbraw/zinc/10/92/29/578109229.db2.gz YJUBHMSOYVJZLJ-CQSZACIVSA-N 0 0 343.349 2.175 10 10 EECERN O=C(COc1cccnc1)NCc1cc(Br)ccc1O ZINC000804735625 675609903 /nfs/dbraw/zinc/60/99/03/675609903.db2.gz BJBSFUNRVOWLBK-UHFFFAOYSA-N 0 0 337.173 2.245 10 10 EECERN Cc1cc(C(=O)Nc2ccc(C(N)=O)nc2)c(C)n1-c1ccccn1 ZINC000127717694 678402694 /nfs/dbraw/zinc/40/26/94/678402694.db2.gz JHVIVDWIKIYIPM-UHFFFAOYSA-N 0 0 335.367 2.235 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000924457673 678887103 /nfs/dbraw/zinc/88/71/03/678887103.db2.gz UAUBVPHPJOXRAY-UHFFFAOYSA-N 0 0 347.367 2.299 10 10 EECERN COc1cc(C)cc(CNC(c2ccnn2C)c2ccnn2C)c1O ZINC000895414948 684593058 /nfs/dbraw/zinc/59/30/58/684593058.db2.gz QLMRKDPPFXBIFB-UHFFFAOYSA-N 0 0 341.415 2.055 10 10 EECERN COc1ccc(N2CCCN(C(=O)[C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000194099967 684905874 /nfs/dbraw/zinc/90/58/74/684905874.db2.gz FFMXKMLEZUGXOC-MAUKXSAKSA-N 0 0 332.444 2.407 10 10 EECERN O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000897088153 686097327 /nfs/dbraw/zinc/09/73/27/686097327.db2.gz XFGBXHCPPRQXRF-VIFPVBQESA-N 0 0 329.381 2.323 10 10 EECERN CC(=O)NC[C@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899152515 693635158 /nfs/dbraw/zinc/63/51/58/693635158.db2.gz UWOIBLAPHQKXDC-GFCCVEGCSA-N 0 0 348.424 2.443 10 10 EECERN Cc1nc([C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)no1 ZINC000129179641 1177696047 /nfs/dbraw/zinc/69/60/47/1177696047.db2.gz PZYJQXXXFLOEGT-SECBINFHSA-N 0 0 325.328 2.433 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1nccs1 ZINC001266996462 1178055811 /nfs/dbraw/zinc/05/58/11/1178055811.db2.gz QDFIMVZJOIIMJR-SNVBAGLBSA-N 0 0 346.416 2.214 10 10 EECERN C[C@H]1CCC[C@@H](CCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842040860 1188240032 /nfs/dbraw/zinc/24/00/32/1188240032.db2.gz OIRHQYJCEQRCPF-HOCLYGCPSA-N 0 0 331.460 2.260 10 10 EECERN NC(=O)CCSc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001143608112 1188617576 /nfs/dbraw/zinc/61/75/76/1188617576.db2.gz XOTODWZWCJUKJB-UHFFFAOYSA-N 0 0 346.408 2.247 10 10 EECERN Cc1ccccc1CN1CCO[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000871281193 1197671956 /nfs/dbraw/zinc/67/19/56/1197671956.db2.gz SBZYXKPOELSXMO-MRXNPFEDSA-N 0 0 346.452 2.393 10 10 EECERN CO[C@H]1CN2C(=O)N(Cc3ccc(N4CCCC4)cc3)C(=O)[C@]2(C)C1 ZINC000865298165 1198157225 /nfs/dbraw/zinc/15/72/25/1198157225.db2.gz CIIFTEQIVNGDHN-APWZRJJASA-N 0 0 343.427 2.228 10 10 EECERN CCN(CC)c1ccc(CNCc2cn(C[C@H]3CCOC3)nn2)cc1 ZINC000865418722 1198207731 /nfs/dbraw/zinc/20/77/31/1198207731.db2.gz OSZMSXQJAAHJDS-QGZVFWFLSA-N 0 0 343.475 2.451 10 10 EECERN C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1ccc(N2CCOCC2)cc1 ZINC000874197294 1198820040 /nfs/dbraw/zinc/82/00/40/1198820040.db2.gz PMBQQBORAHLCIR-IAOVAPTHSA-N 0 0 340.427 2.227 10 10 EECERN COc1ccc(N2CCCN(C(=O)Nc3nn(C)cc3C)CC2)cc1 ZINC000826065418 1200631591 /nfs/dbraw/zinc/63/15/91/1200631591.db2.gz YHBBNOOPAZWPJF-UHFFFAOYSA-N 0 0 343.431 2.481 10 10 EECERN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(C)nn2)cc1 ZINC000866453487 1201521469 /nfs/dbraw/zinc/52/14/69/1201521469.db2.gz XZLPLCIYMFRUGF-UHFFFAOYSA-N 0 0 348.472 2.452 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)c1 ZINC000866765110 1201601061 /nfs/dbraw/zinc/60/10/61/1201601061.db2.gz RTCOFKRXSGIAKU-DGCLKSJQSA-N 0 0 345.399 2.050 10 10 EECERN Nc1ccc(NC(=O)C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000868315438 1201789853 /nfs/dbraw/zinc/78/98/53/1201789853.db2.gz PPSWQIQQABAFBG-VXGBXAGGSA-N 0 0 327.306 2.221 10 10 EECERN CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868358265 1201797648 /nfs/dbraw/zinc/79/76/48/1201797648.db2.gz NXCWCDOKRWVYJH-HOTGVXAUSA-N 0 0 348.491 2.026 10 10 EECERN CCO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc2cccnc2c1O ZINC000868937270 1201908786 /nfs/dbraw/zinc/90/87/86/1201908786.db2.gz HYBQKLPHVBTLQV-GOEBONIOSA-N 0 0 344.411 2.388 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)Cc2ccc(N)nc2)c([N+](=O)[O-])c1 ZINC000135985959 1202428050 /nfs/dbraw/zinc/42/80/50/1202428050.db2.gz ZLRRACUPWDPWFM-VMPITWQZSA-N 0 0 342.355 2.395 10 10 EECERN CN(C)c1ccc(CN2C(=O)[C@@H](c3cccnc3)N(C)C2=O)cc1F ZINC000924544027 1205993770 /nfs/dbraw/zinc/99/37/70/1205993770.db2.gz WXRBORYKXFFVGO-MRXNPFEDSA-N 0 0 342.374 2.422 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@]2(OC)CCSC2)c1 ZINC000925364912 1206103179 /nfs/dbraw/zinc/10/31/79/1206103179.db2.gz WBUSOMAWYKOTQQ-BZNIZROVSA-N 0 0 340.445 2.283 10 10 EECERN COC(=O)C(C)(C)N1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000779190291 1209269887 /nfs/dbraw/zinc/26/98/87/1209269887.db2.gz GBMRXPUMXIGPAP-UHFFFAOYSA-N 0 0 340.851 2.423 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000779501953 1210401005 /nfs/dbraw/zinc/40/10/05/1210401005.db2.gz USVRWMKVAFBWJF-KXFIGUGUSA-N 0 0 326.308 2.081 10 10 EECERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000246195468 1212072109 /nfs/dbraw/zinc/07/21/09/1212072109.db2.gz OKWRQGGODRHNRJ-VXGBXAGGSA-N 0 0 328.434 2.028 10 10 EECERN Cc1ccncc1CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000795259582 1212298290 /nfs/dbraw/zinc/29/82/90/1212298290.db2.gz CAYVVXJLRLMNBW-UHFFFAOYSA-N 0 0 328.328 2.266 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000795586417 1214388851 /nfs/dbraw/zinc/38/88/51/1214388851.db2.gz YYADMUURZUQNJP-WCQYABFASA-N 0 0 344.249 2.198 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1cscn1 ZINC000827694286 1248650531 /nfs/dbraw/zinc/65/05/31/1248650531.db2.gz CFCFKBNWQGJBGB-LBPRGKRZSA-N 0 0 339.486 2.427 10 10 EECERN CN(Cc1nnc2n1CCC2)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000900098595 1234012968 /nfs/dbraw/zinc/01/29/68/1234012968.db2.gz HPRVDSJSJPPNER-UHFFFAOYSA-N 0 0 344.396 2.122 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000800650936 1234403633 /nfs/dbraw/zinc/40/36/33/1234403633.db2.gz IUTCXIMUFAPOTM-OAHLLOKOSA-N 0 0 325.412 2.397 10 10 EECERN Cc1cc(CC(=O)N[C@H](C)C(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000827526199 1248372764 /nfs/dbraw/zinc/37/27/64/1248372764.db2.gz JKMQAZSKLGJASV-CQSZACIVSA-N 0 0 327.428 2.230 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)CC2CCCC2)cc1 ZINC001491076963 1258642286 /nfs/dbraw/zinc/64/22/86/1258642286.db2.gz HVMBDCDTCLMQKJ-UHFFFAOYSA-N 0 0 345.403 2.275 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCCS1 ZINC001152401095 1284986032 /nfs/dbraw/zinc/98/60/32/1284986032.db2.gz KBWSECKTZGDHIS-ZDUSSCGKSA-N 0 0 343.832 2.443 10 10 EECERN COCCN(C[C@H](OC)[C@H]1CCOC1)c1ccc(OC)c(OC)c1 ZINC000851848187 1291885717 /nfs/dbraw/zinc/88/57/17/1291885717.db2.gz ZMYWAHKGTVOINU-KSSFIOAISA-N 0 0 339.432 2.208 10 10 EECERN CC1(C)OCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852005745 1291949926 /nfs/dbraw/zinc/94/99/26/1291949926.db2.gz ZZYLBSUNGJBCDM-INIZCTEOSA-N 0 0 347.459 2.138 10 10 EECERN C[C@H](NC(=O)N[C@H](CO)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000852012604 1291953008 /nfs/dbraw/zinc/95/30/08/1291953008.db2.gz MYHQUMXZUJODKV-KBXCAEBGSA-N 0 0 347.459 2.044 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3cn[nH]c3)C2)cc1 ZINC000852229316 1292052065 /nfs/dbraw/zinc/05/20/65/1292052065.db2.gz RHEIQJNCARTNCQ-GXTWGEPZSA-N 0 0 329.404 2.057 10 10 EECERN C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000852261548 1292070298 /nfs/dbraw/zinc/07/02/98/1292070298.db2.gz RRXKBGJFZWTXKA-XUJVJEKNSA-N 0 0 328.420 2.410 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCCC(C)(C)CO)C2)cc1 ZINC000853779073 1292448274 /nfs/dbraw/zinc/44/82/74/1292448274.db2.gz NTWPWVXWCNZXCI-HNNXBMFYSA-N 0 0 349.475 2.372 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(OC)nc3)C2)cc1 ZINC000853817220 1292468668 /nfs/dbraw/zinc/46/86/68/1292468668.db2.gz AJLRDEVDWBPFRI-CQSZACIVSA-N 0 0 342.399 2.499 10 10 EECERN C[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)c2ncnn21 ZINC000853855710 1292490380 /nfs/dbraw/zinc/49/03/80/1292490380.db2.gz DMYQENHKHOKBPI-ZJUUUORDSA-N 0 0 338.462 2.222 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](OC)[C@H]1CCOC1 ZINC000854276785 1292700674 /nfs/dbraw/zinc/70/06/74/1292700674.db2.gz AQUXBJZJHDXSBA-WMZOPIPTSA-N 0 0 349.475 2.336 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC4(C3)CCCOC4)C2)cc1 ZINC000854297647 1292708664 /nfs/dbraw/zinc/70/86/64/1292708664.db2.gz PVPNRZJTWUBQAB-OAHLLOKOSA-N 0 0 345.443 2.096 10 10 EECERN CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H](O)C(C)C ZINC000854297248 1292708845 /nfs/dbraw/zinc/70/88/45/1292708845.db2.gz LFUSZSHTJPDBHQ-JCGIZDLHSA-N 0 0 349.475 2.369 10 10 EECERN CCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCOC1 ZINC000854297660 1292709291 /nfs/dbraw/zinc/70/92/91/1292709291.db2.gz QBDVNMAKXXAFJG-GDBMZVCRSA-N 0 0 333.432 2.094 10 10 EECERN CCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCOC1 ZINC000854297663 1292709432 /nfs/dbraw/zinc/70/94/32/1292709432.db2.gz QBDVNMAKXXAFJG-ZBFHGGJFSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(CCO)CC(C)(C)C)C2)cc1 ZINC000854301120 1292712271 /nfs/dbraw/zinc/71/22/71/1292712271.db2.gz ISIPLDVGIJMNRI-OAHLLOKOSA-N 0 0 349.475 2.324 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cncnc3C3CC3)C2)cc1 ZINC000855223150 1293116871 /nfs/dbraw/zinc/11/68/71/1293116871.db2.gz FMCHKVOEPPZINA-CQSZACIVSA-N 0 0 338.411 2.371 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)[nH]c(=O)c3)C2)cc1 ZINC000855225459 1293117532 /nfs/dbraw/zinc/11/75/32/1293117532.db2.gz JGRXGANTFLCQOU-CQSZACIVSA-N 0 0 327.384 2.113 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc4n(n3)CCCC4)C2)cc1 ZINC000855226287 1293118745 /nfs/dbraw/zinc/11/87/45/1293118745.db2.gz QZIBYCZKAJEBOB-AWEZNQCLSA-N 0 0 340.427 2.237 10 10 EECERN CCc1nnc(C)cc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227956 1293120071 /nfs/dbraw/zinc/12/00/71/1293120071.db2.gz SFNSDQWIFPYLTP-CQSZACIVSA-N 0 0 340.427 2.365 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(N(C)C)ccn3)C2)cc1 ZINC000855228985 1293120612 /nfs/dbraw/zinc/12/06/12/1293120612.db2.gz GVFJPNPHHTVEGT-CQSZACIVSA-N 0 0 340.427 2.165 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)cc1 ZINC000855232369 1293122188 /nfs/dbraw/zinc/12/21/88/1293122188.db2.gz QQJCISJJYCSRPE-CYBMUJFWSA-N 0 0 326.400 2.304 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)COc3ccccc3O)C2)cc1 ZINC000855234588 1293123135 /nfs/dbraw/zinc/12/31/35/1293123135.db2.gz FTMPGXRPTAACDU-CQSZACIVSA-N 0 0 342.395 2.175 10 10 EECERN C[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCO1 ZINC000856209268 1293444388 /nfs/dbraw/zinc/44/43/88/1293444388.db2.gz JIVGTWVKTJUXSV-KXBFYZLASA-N 0 0 346.471 2.469 10 10 EECERN Cn1cc(CNCc2ccc(N3CCOCC3)c(F)c2)c(Cl)n1 ZINC000856765717 1293625588 /nfs/dbraw/zinc/62/55/88/1293625588.db2.gz LENDVQQBMIPKCZ-UHFFFAOYSA-N 0 0 338.814 2.339 10 10 EECERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858251474 1294061784 /nfs/dbraw/zinc/06/17/84/1294061784.db2.gz PSOHSNCLIQUHCP-GFCCVEGCSA-N 0 0 330.432 2.481 10 10 EECERN CO[C@H](CS(=O)(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000859002304 1294289870 /nfs/dbraw/zinc/28/98/70/1294289870.db2.gz ONBRXUXWCPMPQV-MRXNPFEDSA-N 0 0 339.388 2.338 10 10 EECERN COC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc2cccnc2c1O ZINC000862026413 1295659900 /nfs/dbraw/zinc/65/99/00/1295659900.db2.gz NSBHTDCWMPCPJF-AWEZNQCLSA-N 0 0 345.399 2.327 10 10 EECERN CCOC(=O)C[C@@H](O)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863164532 1296135428 /nfs/dbraw/zinc/13/54/28/1296135428.db2.gz MRASRYLORXQFFG-QGZVFWFLSA-N 0 0 344.411 2.024 10 10 EECERN C[C@@H](NC(=O)NC[C@@H]1CCC2(CCOCC2)O1)c1ccccc1O ZINC000927188996 1297059248 /nfs/dbraw/zinc/05/92/48/1297059248.db2.gz YJIGKYRGKXRARV-KGLIPLIRSA-N 0 0 334.416 2.481 10 10 EECERN Cc1cc(CCNC(=O)C(=O)N(C)C2CC2)c(C)n1-c1ccccc1 ZINC001118797058 1308943026 /nfs/dbraw/zinc/94/30/26/1308943026.db2.gz FWJDIEVJVREICB-UHFFFAOYSA-N 0 0 339.439 2.374 10 10 EECERN Cn1cnc(CCNC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000838744584 1315186549 /nfs/dbraw/zinc/18/65/49/1315186549.db2.gz NDZUCVGAVLQXQZ-UHFFFAOYSA-N 0 0 328.416 2.046 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ccnn1C ZINC000840255402 1315337090 /nfs/dbraw/zinc/33/70/90/1315337090.db2.gz GCABYDZAPJKWOU-AWEZNQCLSA-N 0 0 329.448 2.225 10 10 EECERN C[C@H](O)[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000840979808 1315450515 /nfs/dbraw/zinc/45/05/15/1315450515.db2.gz UUJWENZSWNUFQI-NHYWBVRUSA-N 0 0 332.366 2.353 10 10 EECERN CCNC(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001142528371 1315651678 /nfs/dbraw/zinc/65/16/78/1315651678.db2.gz VFKAXXFRUNRPIQ-UHFFFAOYSA-N 0 0 329.356 2.420 10 10 EECERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842200058 1315673625 /nfs/dbraw/zinc/67/36/25/1315673625.db2.gz CMTUSFQRTYVYKR-DLBZAZTESA-N 0 0 331.460 2.259 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001142728258 1315718090 /nfs/dbraw/zinc/71/80/90/1315718090.db2.gz PGRWGOYBGWAKSM-UHFFFAOYSA-N 0 0 334.335 2.452 10 10 EECERN Cc1ccc(CN(CC2CC2)C(=O)C(=O)Nc2ccc(N)cc2)cn1 ZINC000843049566 1315828793 /nfs/dbraw/zinc/82/87/93/1315828793.db2.gz QNWUNXQNQSBCHW-UHFFFAOYSA-N 0 0 338.411 2.350 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCCc1ccc2c(c1)OCCO2 ZINC001150872189 1316397482 /nfs/dbraw/zinc/39/74/82/1316397482.db2.gz WWHNECYEQUKHDQ-UHFFFAOYSA-N 0 0 343.379 2.161 10 10 EECERN Cc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)c(O)c1O ZINC001153931522 1316918967 /nfs/dbraw/zinc/91/89/67/1316918967.db2.gz SOTZXFZIHIFXJU-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(Cc1csc(-c2cccnc2)n1)NCc1ccc(O)cc1O ZINC001299571316 1319510738 /nfs/dbraw/zinc/51/07/38/1319510738.db2.gz UEUNCQGXSCGQTD-UHFFFAOYSA-N 0 0 341.392 2.475 10 10 EECERN COC(=O)c1cc(OCCNC(=O)OC(C)(C)C)ccc1N(C)C ZINC001166713506 1321772802 /nfs/dbraw/zinc/77/28/02/1321772802.db2.gz IXOOHMSCKLUHLR-UHFFFAOYSA-N 0 0 338.404 2.443 10 10 EECERN CC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nc1 ZINC001203268778 1321854147 /nfs/dbraw/zinc/85/41/47/1321854147.db2.gz UCBBUWXBAKHODU-JTQLQIEISA-N 0 0 329.356 2.448 10 10 EECERN CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001284073745 1326394680 /nfs/dbraw/zinc/39/46/80/1326394680.db2.gz FCXORONXNWJFQE-BETUJISGSA-N 0 0 331.376 2.026 10 10 EECERN CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001290081450 1328139480 /nfs/dbraw/zinc/13/94/80/1328139480.db2.gz ZLAHDHKJEQKWTH-SMDDNHRTSA-N 0 0 345.403 2.274 10 10 EECERN C[C@@H](CC(N)=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001290758251 1328260634 /nfs/dbraw/zinc/26/06/34/1328260634.db2.gz XMSOMZDMTRYXJZ-AWEZNQCLSA-N 0 0 343.427 2.386 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cnn(-c3ccncc3)c2)c1 ZINC001294936583 1329765502 /nfs/dbraw/zinc/76/55/02/1329765502.db2.gz HMLOBJHWVKGBIU-LBPRGKRZSA-N 0 0 338.367 2.473 10 10 EECERN CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[C@@H]1C[C@H]1C ZINC001296321489 1329882122 /nfs/dbraw/zinc/88/21/22/1329882122.db2.gz TVISWNKRBSYRSM-BXUZGUMPSA-N 0 0 345.403 2.083 10 10 EECERN CC(C)C(=O)N[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001297984685 1330025535 /nfs/dbraw/zinc/02/55/35/1330025535.db2.gz BWXTUPXPISMKQF-AWEZNQCLSA-N 0 0 347.419 2.376 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2c[nH]c(=O)[nH]2)c1 ZINC001298772665 1330119766 /nfs/dbraw/zinc/11/97/66/1330119766.db2.gz JWVSIPGSUQGIEZ-UHFFFAOYSA-N 0 0 338.367 2.265 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC001327621746 1334324112 /nfs/dbraw/zinc/32/41/12/1334324112.db2.gz RXQFTHSSLXMGTP-DLBZAZTESA-N 0 0 329.444 2.064 10 10 EECERN CCC(F)(F)CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001329157292 1334597093 /nfs/dbraw/zinc/59/70/93/1334597093.db2.gz WCKJVTQITVCFIB-UHFFFAOYSA-N 0 0 327.375 2.368 10 10 EECERN C[C@@H](NC(=O)C(=O)NCC[C@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC001331076649 1334959225 /nfs/dbraw/zinc/95/92/25/1334959225.db2.gz FYHSDVANHYZRJY-YPMHNXCESA-N 0 0 339.386 2.091 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC001333195686 1335981024 /nfs/dbraw/zinc/98/10/24/1335981024.db2.gz WZEXZYSSWDZCBA-LZLYRXPVSA-N 0 0 343.471 2.263 10 10 EECERN COC[C@]1(C(=O)OC)CCCN1Cc1ccc(N2CCCC2)cc1 ZINC001333865517 1336155009 /nfs/dbraw/zinc/15/50/09/1336155009.db2.gz UJZPXBPCTLYJKJ-IBGZPJMESA-N 0 0 332.444 2.441 10 10 EECERN COc1cccc(CNC(=O)NCc2cc(C(F)F)on2)c1O ZINC001347633304 1337516366 /nfs/dbraw/zinc/51/63/66/1337516366.db2.gz XQWHMDRIASGDSU-UHFFFAOYSA-N 0 0 327.287 2.326 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCCN(CC(F)F)CC2)cc1OC ZINC001612152194 1352306185 /nfs/dbraw/zinc/30/61/85/1352306185.db2.gz VVLJAXKPHPSXMQ-UHFFFAOYSA-N 0 0 345.346 2.389 10 10 EECERN COc1cc(C(=O)NCc2ccc(O)cc2O)cc([N+](=O)[O-])c1C ZINC001557085274 1342440415 /nfs/dbraw/zinc/44/04/15/1342440415.db2.gz GVYUFQCSXOVODJ-UHFFFAOYSA-N 0 0 332.312 2.253 10 10 EECERN CN(C)c1cc(F)c(C(=O)NCc2cc(O)ccc2O)cc1[N+](=O)[O-] ZINC001593873157 1349873109 /nfs/dbraw/zinc/87/31/09/1349873109.db2.gz KIUYOXJFBWCDNW-UHFFFAOYSA-N 0 0 349.318 2.141 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](O)c1cccnc1 ZINC001624626466 1352426075 /nfs/dbraw/zinc/42/60/75/1352426075.db2.gz RMNNDFRARVJURZ-GOSISDBHSA-N 0 0 325.412 2.374 10 10 EECERN CC1(c2cccc(CNC(=O)Cc3ccc(O)c(O)c3)c2)OCCO1 ZINC001625344509 1352446628 /nfs/dbraw/zinc/44/66/28/1352446628.db2.gz JOELSJJFXQAIJY-UHFFFAOYSA-N 0 0 343.379 2.176 10 10 EECERN COc1cccc(CNC(=O)c2cc(C(F)(F)F)ncn2)c1O ZINC001631539915 1352586045 /nfs/dbraw/zinc/58/60/45/1352586045.db2.gz GCAXIJJKNPZALP-UHFFFAOYSA-N 0 0 327.262 2.140 10 10 EECERN COC(=O)c1coc(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001632680803 1352600773 /nfs/dbraw/zinc/60/07/73/1352600773.db2.gz FUKIBVITXAQPEI-DUMNWFOQSA-N 0 0 345.351 2.238 10 10 EECERN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@]2(CCCOC2)O1 ZINC001634155338 1352622419 /nfs/dbraw/zinc/62/24/19/1352622419.db2.gz HACFRUOEABHKEE-SJKOYZFVSA-N 0 0 346.387 2.259 10 10 EECERN Cn1ncc(Br)c1C(=O)NCc1cccc(Cl)c1O ZINC001647830279 1353404055 /nfs/dbraw/zinc/40/40/55/1353404055.db2.gz QFPJCYPWFFQDAK-UHFFFAOYSA-N 0 0 344.596 2.472 10 10 EECERN Cc1nc(CNC(=O)c2c(F)ccc(O)c2O)nc2ccccc12 ZINC001650764414 1354029243 /nfs/dbraw/zinc/02/92/43/1354029243.db2.gz NJYPUESIZJBMQI-UHFFFAOYSA-N 0 0 327.315 2.419 10 10 EECERN CN(Cc1nnc2c(=O)[nH]ccn12)c1ccc(-c2nccs2)cc1 ZINC001654679219 1354154994 /nfs/dbraw/zinc/15/49/94/1354154994.db2.gz UPTIAVULFCDKQR-UHFFFAOYSA-N 0 0 338.396 2.178 10 10 EECERN COC[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)OC ZINC001671550789 1356361184 /nfs/dbraw/zinc/36/11/84/1356361184.db2.gz OAQKADNSGWOXPX-QGZVFWFLSA-N 0 0 335.448 2.090 10 10 EECERN CO[C@@]1(CNC(=O)NCCCSc2nccs2)CCSC1 ZINC000921447209 773379210 /nfs/dbraw/zinc/37/92/10/773379210.db2.gz AXNSNUMFWOTNSC-CYBMUJFWSA-N 0 0 347.531 2.447 10 10 EECERN COCc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)ncn1 ZINC000181051577 775276337 /nfs/dbraw/zinc/27/63/37/775276337.db2.gz ZBFBFRCWQGCSJV-UHFFFAOYSA-N 0 0 339.399 2.321 10 10 EECERN COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000809732409 783313980 /nfs/dbraw/zinc/31/39/80/783313980.db2.gz CUJPOIHYLGGAHN-UHFFFAOYSA-N 0 0 346.339 2.385 10 10 EECERN Cc1cc(C(=O)N2CC3(C2)CNC(=O)O3)c(C)n1-c1ccc(F)cc1 ZINC000817678871 784917952 /nfs/dbraw/zinc/91/79/52/784917952.db2.gz KFHSYRMRPLOUCD-UHFFFAOYSA-N 0 0 343.358 2.168 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)C3CCC(=O)CC3)C2)cc1 ZINC000819584544 785594580 /nfs/dbraw/zinc/59/45/80/785594580.db2.gz LNGXRJPREGVKGX-CQSZACIVSA-N 0 0 330.428 2.397 10 10 EECERN CN1CCO[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708110732 786739873 /nfs/dbraw/zinc/73/98/73/786739873.db2.gz FYJMMWBUTMVSRA-LLVKDONJSA-N 0 0 349.656 2.228 10 10 EECERN COC(=O)[C@@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1F ZINC001136555089 787077366 /nfs/dbraw/zinc/07/73/66/787077366.db2.gz CHBQUIZMQACBPO-LBPRGKRZSA-N 0 0 327.308 2.376 10 10 EECERN CCn1nnc(C)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822586533 787304272 /nfs/dbraw/zinc/30/42/72/787304272.db2.gz ROZUCYWZLJNVEQ-UHFFFAOYSA-N 0 0 345.472 2.090 10 10 EECERN CC1(C)CCC[C@@](O)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000823291473 787681715 /nfs/dbraw/zinc/68/17/15/787681715.db2.gz HHDRVJNMUNCNTK-FQEVSTJZSA-N 0 0 346.471 2.471 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)[C@H]3CCC3(C)C)CC2)cc1 ZINC000824280481 788101552 /nfs/dbraw/zinc/10/15/52/788101552.db2.gz NHCAPHCXMGOZIZ-GOSISDBHSA-N 0 0 345.487 2.370 10 10 EECERN C[C@@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000805863331 788157033 /nfs/dbraw/zinc/15/70/33/788157033.db2.gz AHTGKSAMUTWGSK-KDOFPFPSSA-N 0 0 331.460 2.493 10 10 EECERN O=C(c1cn2c(n1)CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843835844 788684462 /nfs/dbraw/zinc/68/44/62/788684462.db2.gz LNVDNHNZQFFGGZ-HNNXBMFYSA-N 0 0 341.411 2.356 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2CCC(F)CC2)c1 ZINC000844096451 788836984 /nfs/dbraw/zinc/83/69/84/788836984.db2.gz FXAOMHUDAVEZMG-UHFFFAOYSA-N 0 0 344.408 2.022 10 10 EECERN C[C@H](CCNC(=O)NCc1c(O)ccc2c1CCCC2)[S@](C)=O ZINC000165679205 789539989 /nfs/dbraw/zinc/53/99/89/789539989.db2.gz NDMKUAHBSAZOJD-SFDCACGMSA-N 0 0 338.473 2.227 10 10 EECERN Cc1ccc(O)c(CNC(=O)Cn2cnc(-c3ccccc3)cc2=O)c1 ZINC001147962504 792087076 /nfs/dbraw/zinc/08/70/76/792087076.db2.gz WGXCRPGLPOZACV-UHFFFAOYSA-N 0 0 349.390 2.241 10 10 EECERN CN1CCCc2cc(CNC(=O)NCc3cncc(O)c3)ccc21 ZINC000915389889 795960849 /nfs/dbraw/zinc/96/08/49/795960849.db2.gz FDMSWSMOKCBOSW-UHFFFAOYSA-N 0 0 326.400 2.169 10 10 EECERN COCCN(Cc1ccnn1C)Cc1cc(F)cc(C(C)=O)c1O ZINC000786238297 806732789 /nfs/dbraw/zinc/73/27/89/806732789.db2.gz PKIJJVHQGRIVOL-UHFFFAOYSA-N 0 0 335.379 2.116 10 10 EECERN COc1ccc(CNC(=O)Nc2cnc(CC3CC3)nc2)c(O)c1 ZINC000794368247 810768890 /nfs/dbraw/zinc/76/88/90/810768890.db2.gz CDOAYHYXBDPWMP-UHFFFAOYSA-N 0 0 328.372 2.465 10 10 EECERN COc1ccc(CNC(=O)c2csc(-c3ncccn3)n2)c(O)c1 ZINC000794388482 810812043 /nfs/dbraw/zinc/81/20/43/810812043.db2.gz VSHOJULXBQKVLB-UHFFFAOYSA-N 0 0 342.380 2.244 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cnn(CCF)c1 ZINC000807739024 812316655 /nfs/dbraw/zinc/31/66/55/812316655.db2.gz IQGSJTULHKUKBD-UHFFFAOYSA-N 0 0 342.168 2.251 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)C1=CS(=O)(=O)CCC1 ZINC001456308178 1109137618 /nfs/dbraw/zinc/13/76/18/1109137618.db2.gz GPXLTZZXDWMKBH-UHFFFAOYSA-N 0 0 331.393 2.254 10 10 EECERN CCN1C[C@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1=O ZINC001468283738 1110471684 /nfs/dbraw/zinc/47/16/84/1110471684.db2.gz WFVDHOOIGHDVEP-QGZVFWFLSA-N 0 0 339.439 2.374 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)Cc2cccc(F)c2)cc1 ZINC001468472528 1110474987 /nfs/dbraw/zinc/47/49/87/1110474987.db2.gz KAZAITZUAVXSQW-HNNXBMFYSA-N 0 0 344.346 2.322 10 10 EECERN Cc1c(C(=O)NCc2ccc(O)cc2O)nnn1-c1cccc(C)c1 ZINC001469160974 1110486136 /nfs/dbraw/zinc/48/61/36/1110486136.db2.gz XBYOXSHGPFXDEH-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN COc1cc(CO)ccc1C(=O)NCc1ccc2cccnc2c1O ZINC001469250327 1110487920 /nfs/dbraw/zinc/48/79/20/1110487920.db2.gz RKOFFEOJNHSYBD-UHFFFAOYSA-N 0 0 338.363 2.371 10 10 EECERN CCC[C@H](C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001522557564 1119421123 /nfs/dbraw/zinc/42/11/23/1119421123.db2.gz QWQBLUUAIAVMBJ-NSHDSACASA-N 0 0 333.392 2.131 10 10 EECERN CC(=O)Nc1ccc(C(=O)Nc2c3nonc3ccc2Cl)nc1 ZINC001525081252 1120264682 /nfs/dbraw/zinc/26/46/82/1120264682.db2.gz OQNFSGIULLNQQV-UHFFFAOYSA-N 0 0 331.719 2.482 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCS(C)(=O)=O ZINC001525107278 1120267767 /nfs/dbraw/zinc/26/77/67/1120267767.db2.gz RINZEKHHYLJUMU-UHFFFAOYSA-N 0 0 338.473 2.070 10 10 EECERN CCCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001525284827 1120299659 /nfs/dbraw/zinc/29/96/59/1120299659.db2.gz ODQFCOKYHOAVBP-OKILXGFUSA-N 0 0 349.431 2.056 10 10 EECERN Cc1ncccc1/C=C\C(=O)N(C)c1cccc(S(C)(=O)=O)c1 ZINC001526096967 1120438134 /nfs/dbraw/zinc/43/81/34/1120438134.db2.gz SKBSPIXRMBMYHE-KTKRTIGZSA-N 0 0 330.409 2.470 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C\Cn1cncn1 ZINC001540567325 1124086589 /nfs/dbraw/zinc/08/65/89/1124086589.db2.gz IDENEJWBQJTIKF-PLNGDYQASA-N 0 0 325.416 2.093 10 10 EECERN O=C(NCCCNc1ncccn1)c1cc2cc(O)c(O)cc2s1 ZINC001542410630 1124113095 /nfs/dbraw/zinc/11/30/95/1124113095.db2.gz MDJNLRLZYVQGKM-UHFFFAOYSA-N 0 0 344.396 2.335 10 10 EECERN COc1ccc(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3F)c(O)c1 ZINC001568098511 1124302123 /nfs/dbraw/zinc/30/21/23/1124302123.db2.gz ZOBFSBUXZCDDMF-CYBMUJFWSA-N 0 0 344.342 2.282 10 10 EECERN CN(C)c1noc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000192994887 529817731 /nfs/dbraw/zinc/81/77/31/529817731.db2.gz QPVHJAZGRDPLDL-CQSZACIVSA-N 0 0 332.404 2.022 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](O)[C@H]2CCCO2)c1 ZINC000527756703 317257343 /nfs/dbraw/zinc/25/73/43/317257343.db2.gz FXVLPAMEXMKPRS-QWHCGFSZSA-N 0 0 330.222 2.093 10 10 EECERN CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](O)C(F)F ZINC000297224213 465249481 /nfs/dbraw/zinc/24/94/81/465249481.db2.gz XUUMHZGWBOLGDO-GJZGRUSLSA-N 0 0 341.402 2.491 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)c1nn2c(nccc2=O)s1 ZINC000154381761 462761879 /nfs/dbraw/zinc/76/18/79/462761879.db2.gz WWMOAYVVERMWSF-UHFFFAOYSA-N 0 0 329.429 2.244 10 10 EECERN CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000076133697 462813116 /nfs/dbraw/zinc/81/31/16/462813116.db2.gz WZWBTJASTZHGLZ-MRXNPFEDSA-N 0 0 349.500 2.461 10 10 EECERN COC(=O)[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125799665 463579789 /nfs/dbraw/zinc/57/97/89/463579789.db2.gz ZXXBBCSOVFCYMQ-JQWIXIFHSA-N 0 0 334.199 2.461 10 10 EECERN Cn1nnc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc21 ZINC000185054427 463743659 /nfs/dbraw/zinc/74/36/59/463743659.db2.gz IFFOHTIMTPRNOP-UHFFFAOYSA-N 0 0 335.411 2.499 10 10 EECERN COc1c([O-])c(C[NH2+]C[C@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278496181 463967921 /nfs/dbraw/zinc/96/79/21/463967921.db2.gz MMNUUJVXCWNZTM-CQSZACIVSA-N 0 0 332.356 2.175 10 10 EECERN CCNC(=O)C[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000283737833 463990859 /nfs/dbraw/zinc/99/08/59/463990859.db2.gz ABPIXMGYTGKKJJ-KRWDZBQOSA-N 0 0 346.475 2.343 10 10 EECERN Nc1ccc(CC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000262637463 464035911 /nfs/dbraw/zinc/03/59/11/464035911.db2.gz PYIKPRKAUAVJAM-AWEZNQCLSA-N 0 0 326.400 2.478 10 10 EECERN COc1cccc([C@H]2CN(C(=O)c3cccc(O)c3O)CCO2)c1 ZINC000279768696 464147765 /nfs/dbraw/zinc/14/77/65/464147765.db2.gz GAYFAAVIHQOFKP-MRXNPFEDSA-N 0 0 329.352 2.320 10 10 EECERN CN(C)c1ccc(CN2CC[C@H](NC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280352784 464199539 /nfs/dbraw/zinc/19/95/39/464199539.db2.gz TZEKFJMMWZHFHA-NSHDSACASA-N 0 0 330.354 2.014 10 10 EECERN COCCN(C[C@H](O)CC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000189690495 464540447 /nfs/dbraw/zinc/54/04/47/464540447.db2.gz PFWGJZBRUQWWMP-GFCCVEGCSA-N 0 0 337.338 2.470 10 10 EECERN CCn1nccc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000274496048 464746059 /nfs/dbraw/zinc/74/60/59/464746059.db2.gz QYZOJHNRMOBYSW-UHFFFAOYSA-N 0 0 348.472 2.322 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnccc1N(C)C ZINC000577494805 468185700 /nfs/dbraw/zinc/18/57/00/468185700.db2.gz CEFKNSQFUSNFAK-UHFFFAOYSA-N 0 0 326.400 2.253 10 10 EECERN CC(C)C[C@@]1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCNC1=O ZINC000631559884 470172293 /nfs/dbraw/zinc/17/22/93/470172293.db2.gz LUQYEZWWVJWLPJ-IBGZPJMESA-N 0 0 345.443 2.030 10 10 EECERN COc1ccc(N2CCCN(C(=O)/C=C/c3ccnn3C)CC2)cc1 ZINC000193520477 533998717 /nfs/dbraw/zinc/99/87/17/533998717.db2.gz AGIQEUBYHJIIBB-RMKNXTFCSA-N 0 0 340.427 2.181 10 10 EECERN COc1ccc(O)c(CNC(=O)c2cnc3nc(C)ccc3c2O)c1 ZINC000734018915 577272727 /nfs/dbraw/zinc/27/27/27/577272727.db2.gz NMWJIQOZIQPMGA-UHFFFAOYSA-N 0 0 339.351 2.288 10 10 EECERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC[C@@H]1CCOC1 ZINC000761378823 577682953 /nfs/dbraw/zinc/68/29/53/577682953.db2.gz JKZCHZJFNJKADJ-LLVKDONJSA-N 0 0 338.791 2.236 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)cc1F ZINC000754416634 577806082 /nfs/dbraw/zinc/80/60/82/577806082.db2.gz OQNJBLUYMJBHSL-UHFFFAOYSA-N 0 0 344.390 2.204 10 10 EECERN Cc1cc(C(=O)N2C[C@H](O)C[C@H](O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000755432457 577825116 /nfs/dbraw/zinc/82/51/16/577825116.db2.gz ISBABFDCUTWSGE-HDICACEKSA-N 0 0 342.439 2.279 10 10 EECERN C[C@H]1c2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000746694498 577932623 /nfs/dbraw/zinc/93/26/23/577932623.db2.gz XFTWJRUNGQXDIS-NSHDSACASA-N 0 0 346.408 2.481 10 10 EECERN COc1cccc(CNC(=O)NCCCc2c(C)noc2C)c1O ZINC000084906020 676789957 /nfs/dbraw/zinc/78/99/57/676789957.db2.gz PIBZIJQARHRXKW-UHFFFAOYSA-N 0 0 333.388 2.438 10 10 EECERN CN(C)[C@@H](CCNC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC000926832074 682886145 /nfs/dbraw/zinc/88/61/45/682886145.db2.gz PTVIKSRQJRYBBF-LBPRGKRZSA-N 0 0 337.317 2.213 10 10 EECERN CC1(C)C[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594728 682989654 /nfs/dbraw/zinc/98/96/54/682989654.db2.gz JUFNMRVHUNKGEG-INIZCTEOSA-N 0 0 329.444 2.051 10 10 EECERN COc1ccc([C@@H](CC(=O)Nc2ccc(N)cc2)NC(C)=O)cc1 ZINC000237200039 683831988 /nfs/dbraw/zinc/83/19/88/683831988.db2.gz AMQZKVFFELTOOY-QGZVFWFLSA-N 0 0 327.384 2.483 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000896580592 685092204 /nfs/dbraw/zinc/09/22/04/685092204.db2.gz CJTLRPDEKVWPNQ-CYBMUJFWSA-N 0 0 347.314 2.452 10 10 EECERN CC(C)C(=O)NCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897228191 686289831 /nfs/dbraw/zinc/28/98/31/686289831.db2.gz MBBUWHWOMQATJL-UHFFFAOYSA-N 0 0 336.413 2.205 10 10 EECERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000320854115 687988982 /nfs/dbraw/zinc/98/89/82/687988982.db2.gz FWMKKXDVPRNUNE-UHFFFAOYSA-N 0 0 342.304 2.249 10 10 EECERN CN(CCNC(=O)c1cc2cc(O)c(O)cc2s1)CC(F)F ZINC000899151667 693634155 /nfs/dbraw/zinc/63/41/55/693634155.db2.gz CFKLIBUPUADTQJ-UHFFFAOYSA-N 0 0 330.356 2.239 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCC[C@@H]1C ZINC000184874192 1192379670 /nfs/dbraw/zinc/37/96/70/1192379670.db2.gz ZHJAMGAJLSWTDD-AWEZNQCLSA-N 0 0 325.478 2.304 10 10 EECERN CO[C@@H]1CN2C(=O)N(CCCSc3nccs3)C(=O)[C@]2(C)C1 ZINC000865303507 1198160102 /nfs/dbraw/zinc/16/01/02/1198160102.db2.gz HHAGMLOWTWGTHC-HZMBPMFUSA-N 0 0 341.458 2.067 10 10 EECERN Cc1cc(CNC(=O)C2CS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000869457819 1200093054 /nfs/dbraw/zinc/09/30/54/1200093054.db2.gz YTYOKWZBGRCHDT-UHFFFAOYSA-N 0 0 346.452 2.063 10 10 EECERN Cc1c(NC(=O)C2=CC(=O)CS2)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000811535995 1200111596 /nfs/dbraw/zinc/11/15/96/1200111596.db2.gz AYABHSUCOBQNPE-VIFPVBQESA-N 0 0 345.380 2.459 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3nn(C)cc3C)CC2)cc1 ZINC000826048231 1200530998 /nfs/dbraw/zinc/53/09/98/1200530998.db2.gz GBVCJLWVAOPLSM-UHFFFAOYSA-N 0 0 329.404 2.091 10 10 EECERN CC[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc(Cl)c1[O-] ZINC000866520845 1201539220 /nfs/dbraw/zinc/53/92/20/1201539220.db2.gz IPBTZMXVRZWUJN-CZUORRHYSA-N 0 0 340.807 2.308 10 10 EECERN NC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001137161055 1201603516 /nfs/dbraw/zinc/60/35/16/1201603516.db2.gz LZUYTDDJVSJXSW-CYBMUJFWSA-N 0 0 348.786 2.027 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C(/C)C(=O)OC ZINC000925035724 1206063418 /nfs/dbraw/zinc/06/34/18/1206063418.db2.gz SJRHDMAIGMJTAK-KAMYIIQDSA-N 0 0 333.432 2.403 10 10 EECERN Oc1ccccc1C[N@H+](C[C@H](O)CCC1(O)CCC1)C[C@@H]1CCCO1 ZINC000929973293 1206523634 /nfs/dbraw/zinc/52/36/34/1206523634.db2.gz YEKAGJAXIUEOKC-MSOLQXFVSA-N 0 0 349.471 2.429 10 10 EECERN COC(=O)Cc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779529500 1210411237 /nfs/dbraw/zinc/41/12/37/1210411237.db2.gz DIAWCFIOEYIXRC-VQHVLOKHSA-N 0 0 327.336 2.465 10 10 EECERN Cc1nnc(CN(C)Cc2ccc(N3CCOCC3)cc2)n1C1CC1 ZINC000195429926 1211415315 /nfs/dbraw/zinc/41/53/15/1211415315.db2.gz WPXREIMJXZUDGL-UHFFFAOYSA-N 0 0 341.459 2.390 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000305255621 1216160585 /nfs/dbraw/zinc/16/05/85/1216160585.db2.gz WLIHVYRNNQWGRI-GXTWGEPZSA-N 0 0 327.384 2.483 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001137473671 1248707254 /nfs/dbraw/zinc/70/72/54/1248707254.db2.gz RBHOPHYXEQPAEK-LURJTMIESA-N 0 0 340.723 2.177 10 10 EECERN Cc1nc([C@H]2CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000902861287 1238726959 /nfs/dbraw/zinc/72/69/59/1238726959.db2.gz RUYYGEMERBHMMA-AWEZNQCLSA-N 0 0 329.404 2.143 10 10 EECERN C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000803688464 1241339421 /nfs/dbraw/zinc/33/94/21/1241339421.db2.gz RKWFHGYFEWPYKL-OAHLLOKOSA-N 0 0 343.471 2.334 10 10 EECERN COC[C@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc(OC)c1O ZINC000827488004 1248186467 /nfs/dbraw/zinc/18/64/67/1248186467.db2.gz BURNCHVAXZILIO-INIZCTEOSA-N 0 0 343.807 2.208 10 10 EECERN CO[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCOC1 ZINC000850344377 1277188999 /nfs/dbraw/zinc/18/89/99/1277188999.db2.gz GYFIQCFKRXOTGQ-TVQRCGJNSA-N 0 0 330.768 2.095 10 10 EECERN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CS1(=O)=O ZINC000850367771 1277202586 /nfs/dbraw/zinc/20/25/86/1277202586.db2.gz CZELSULMFKPACK-GZMMTYOYSA-N 0 0 348.808 2.009 10 10 EECERN CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc(Cl)c1[O-] ZINC000850507361 1277254391 /nfs/dbraw/zinc/25/43/91/1277254391.db2.gz IWDFQUTUXNJMNS-GDBMZVCRSA-N 0 0 329.824 2.254 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@H](OC)[C@@H]2CCOC2)cc1 ZINC000851986711 1291943352 /nfs/dbraw/zinc/94/33/52/1291943352.db2.gz FROLCXZACCAFFA-AEFFLSMTSA-N 0 0 349.475 2.384 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)[C@@H]3CCCOC3)C2)cc1 ZINC000852247928 1292061686 /nfs/dbraw/zinc/06/16/86/1292061686.db2.gz NBYMYKJCOGKHOZ-XHSDSOJGSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H]3CCCO3)C2)cc1 ZINC000852451096 1292117667 /nfs/dbraw/zinc/11/76/67/1292117667.db2.gz DFTJVTPWLXZVGL-WMLDXEAASA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(O)cc3)C2)cc1 ZINC000852455985 1292118665 /nfs/dbraw/zinc/11/86/65/1292118665.db2.gz XDJILNZUXVCZRV-OAHLLOKOSA-N 0 0 341.411 2.479 10 10 EECERN C[C@H](NC(=O)N1CCC2(COC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000853486229 1292394742 /nfs/dbraw/zinc/39/47/42/1292394742.db2.gz AYRBXEAOAYMZPI-HNNXBMFYSA-N 0 0 345.443 2.016 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C(=O)C3CCSCC3)C2)cc1 ZINC000853817746 1292469813 /nfs/dbraw/zinc/46/98/13/1292469813.db2.gz LZMFOWCMMKOUBA-AWEZNQCLSA-N 0 0 348.468 2.102 10 10 EECERN COC(=O)C(=O)[C@@H](C)OC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853935503 1292539253 /nfs/dbraw/zinc/53/92/53/1292539253.db2.gz ZWXIZSULQZQPOE-CQSZACIVSA-N 0 0 343.379 2.310 10 10 EECERN C[C@H](NC(=O)N1CC[C@H](O)C(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000854004769 1292579082 /nfs/dbraw/zinc/57/90/82/1292579082.db2.gz VSCFOXIPHYVECE-FZMZJTMJSA-N 0 0 327.375 2.225 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3C[C@@H](C)O)C2)cc1 ZINC000854300488 1292710871 /nfs/dbraw/zinc/71/08/71/1292710871.db2.gz UPDLOZKKFRZBCR-HLLBOEOZSA-N 0 0 347.459 2.219 10 10 EECERN CCOCCN(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301135 1292712643 /nfs/dbraw/zinc/71/26/43/1292712643.db2.gz JAOULJKPKOFDPR-HNNXBMFYSA-N 0 0 335.448 2.342 10 10 EECERN CCCn1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000855223603 1293116636 /nfs/dbraw/zinc/11/66/36/1293116636.db2.gz BEWXRFYKSCXPIN-HNNXBMFYSA-N 0 0 328.416 2.310 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCOCC(F)(F)F)C2)cc1 ZINC000855231169 1293122061 /nfs/dbraw/zinc/12/20/61/1293122061.db2.gz HUCSHJXKEKPKPR-GFCCVEGCSA-N 0 0 346.349 2.359 10 10 EECERN CC(C)c1ncc2c(n1)CCN(C(=O)NCCc1ccc(N)cc1)C2 ZINC000857847563 1293928752 /nfs/dbraw/zinc/92/87/52/1293928752.db2.gz RFQDCDIHJKAWIA-UHFFFAOYSA-N 0 0 339.443 2.493 10 10 EECERN Cc1cc(C2(C(=O)NCc3ccc(N(C)C)cc3)CCOCC2)on1 ZINC000858161588 1294028098 /nfs/dbraw/zinc/02/80/98/1294028098.db2.gz UXXAKKXHXTURES-UHFFFAOYSA-N 0 0 343.427 2.414 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)[C@H]2CNC(=O)c3ccccc32)cc1 ZINC000858199312 1294042863 /nfs/dbraw/zinc/04/28/63/1294042863.db2.gz IHDARDPKQTXDAH-SFHVURJKSA-N 0 0 337.423 2.238 10 10 EECERN C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)c(F)cc1[O-] ZINC000858494708 1294133623 /nfs/dbraw/zinc/13/36/23/1294133623.db2.gz MOZNCQZFCVORMX-BWZBUEFSSA-N 0 0 331.185 2.208 10 10 EECERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCCn3nccc32)C1 ZINC000859071516 1294310463 /nfs/dbraw/zinc/31/04/63/1294310463.db2.gz JNOLLHGHXIHKFX-CYBMUJFWSA-N 0 0 332.404 2.233 10 10 EECERN COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862024580 1295658722 /nfs/dbraw/zinc/65/87/22/1295658722.db2.gz BOLDOCNZMDLPMJ-QWHCGFSZSA-N 0 0 328.368 2.146 10 10 EECERN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862420298 1295841682 /nfs/dbraw/zinc/84/16/82/1295841682.db2.gz ZARMODQZNWCPNR-CYBMUJFWSA-N 0 0 340.418 2.219 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc2[nH]c(=O)n(CC(C)(C)C)c21 ZINC000885812715 1295854027 /nfs/dbraw/zinc/85/40/27/1295854027.db2.gz ITSXDUXGUYNIGP-UHFFFAOYSA-N 0 0 332.356 2.103 10 10 EECERN Cc1cc(C(=O)N[C@@H]2COCCC2=O)c(C)n1-c1ccc(F)cc1 ZINC000862932853 1296027152 /nfs/dbraw/zinc/02/71/52/1296027152.db2.gz UPSMHNFZNOMMTE-MRXNPFEDSA-N 0 0 330.359 2.321 10 10 EECERN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000843428741 1315913446 /nfs/dbraw/zinc/91/34/46/1315913446.db2.gz MSIKNELMYTZNOP-SNVBAGLBSA-N 0 0 346.258 2.251 10 10 EECERN CC(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1O ZINC001138152879 1314558130 /nfs/dbraw/zinc/55/81/30/1314558130.db2.gz RRDJPICXJMKJRB-JTQLQIEISA-N 0 0 329.352 2.367 10 10 EECERN Cc1cc(Br)cc(CN2CCO[C@@H]([C@@H](C)O)C2)c1O ZINC000840977456 1315450037 /nfs/dbraw/zinc/45/00/37/1315450037.db2.gz HYHBHXPICWOCFG-ZWNOBZJWSA-N 0 0 330.222 2.045 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\c1ccc[nH]1 ZINC001142690704 1315705254 /nfs/dbraw/zinc/70/52/54/1315705254.db2.gz NHBSLLPGJGOKKV-KTKRTIGZSA-N 0 0 328.368 2.325 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001153797613 1316885793 /nfs/dbraw/zinc/88/57/93/1316885793.db2.gz CZYZNUSKKJMUEK-CQSZACIVSA-N 0 0 341.285 2.466 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CSC(c2ccccc2)=N1 ZINC001294870602 1329175298 /nfs/dbraw/zinc/17/52/98/1329175298.db2.gz YAGMNRIXNNNGBJ-ZDUSSCGKSA-N 0 0 328.393 2.276 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1 ZINC001291565556 1328305530 /nfs/dbraw/zinc/30/55/30/1328305530.db2.gz AEZRTQDSOPZKPS-UHFFFAOYSA-N 0 0 332.360 2.265 10 10 EECERN CN(Cc1ccccc1O)c1nnc(C(=O)N2CCCC2)n1C1CC1 ZINC001298358657 1330063431 /nfs/dbraw/zinc/06/34/31/1330063431.db2.gz ITQJNTOAROFDTG-UHFFFAOYSA-N 0 0 341.415 2.191 10 10 EECERN COC(=O)c1ccc2[nH]c(CNC(=O)C3=CC(=O)CS3)nc2c1 ZINC001298796131 1330122258 /nfs/dbraw/zinc/12/22/58/1330122258.db2.gz OEJYUIWYKIWLHW-UHFFFAOYSA-N 0 0 331.353 2.047 10 10 EECERN COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(C(=O)[O-])n3)C2)cc1 ZINC000902377461 1331547536 /nfs/dbraw/zinc/54/75/36/1331547536.db2.gz FQCGXTMMQCNABF-AWEZNQCLSA-N 0 0 341.411 2.405 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1[O-] ZINC000903955334 1331618144 /nfs/dbraw/zinc/61/81/44/1331618144.db2.gz PHUQTWBSEMVKPQ-SECBINFHSA-N 0 0 335.738 2.288 10 10 EECERN CCOc1ccc(N2CCN(CC(=O)N(C)CC3CC3)CC2)cc1 ZINC001322949485 1333357310 /nfs/dbraw/zinc/35/73/10/1333357310.db2.gz OUGCNSSJJLAJGN-UHFFFAOYSA-N 0 0 331.460 2.076 10 10 EECERN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC(F)F ZINC001326423311 1334090942 /nfs/dbraw/zinc/09/09/42/1334090942.db2.gz SDXOZWBJMUOSGB-NEPJUHHUSA-N 0 0 341.402 2.337 10 10 EECERN CCC[C@H](CC)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328884964 1334540825 /nfs/dbraw/zinc/54/08/25/1334540825.db2.gz FEZZCUUFOLHYIW-LSDHHAIUSA-N 0 0 347.459 2.085 10 10 EECERN COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])cc1C ZINC001329016871 1334569219 /nfs/dbraw/zinc/56/92/19/1334569219.db2.gz USMYEGIFLVJBGP-RYUDHWBXSA-N 0 0 346.431 2.037 10 10 EECERN CC(C)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC001340618633 1337216317 /nfs/dbraw/zinc/21/63/17/1337216317.db2.gz VUCSHKJPKOCWTE-QGZVFWFLSA-N 0 0 343.471 2.408 10 10 EECERN C[C@@H](NC(=O)Nc1ccc[n+]([O-])c1)c1ccc(N2CCOCC2)cc1 ZINC001345917894 1337474645 /nfs/dbraw/zinc/47/46/45/1337474645.db2.gz YORBSHPXUMLMBA-CQSZACIVSA-N 0 0 342.399 2.039 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3coc(OC)n3)CC2)cc1 ZINC001351499608 1337819700 /nfs/dbraw/zinc/81/97/00/1337819700.db2.gz MGYNOYYIQXRTTJ-UHFFFAOYSA-N 0 0 331.372 2.044 10 10 EECERN CN1CCN(c2ccc(CN3CCO[C@@H](CCF)C3)cc2F)CC1 ZINC001351629339 1337832328 /nfs/dbraw/zinc/83/23/28/1337832328.db2.gz WXYGNXZDFWDUDU-INIZCTEOSA-N 0 0 339.430 2.138 10 10 EECERN Cc1ccc(CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)s1 ZINC001351835374 1337855335 /nfs/dbraw/zinc/85/53/35/1337855335.db2.gz KXWYJLQZPRBGSY-UHFFFAOYSA-N 0 0 330.409 2.263 10 10 EECERN COc1ccc(N2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC000847365326 1337983172 /nfs/dbraw/zinc/98/31/72/1337983172.db2.gz KGKDYBOQXAMPGK-MRXNPFEDSA-N 0 0 331.460 2.076 10 10 EECERN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccsc1 ZINC001300073746 1338015781 /nfs/dbraw/zinc/01/57/81/1338015781.db2.gz PKDFBRIZDNYHQA-UHFFFAOYSA-N 0 0 326.399 2.102 10 10 EECERN COCC1(CNC(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000847422269 1338050202 /nfs/dbraw/zinc/05/02/02/1338050202.db2.gz BIGWZYGPFLIISV-UHFFFAOYSA-N 0 0 335.448 2.199 10 10 EECERN COc1ccc(N2CCN(c3ncnc(C)c3OC)CC2)cc1F ZINC000848671303 1338738202 /nfs/dbraw/zinc/73/82/02/1338738202.db2.gz XYPKEGGZKXRHPV-UHFFFAOYSA-N 0 0 332.379 2.268 10 10 EECERN CC[C@@H]1C(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C(=O)N1C1CC1 ZINC000849358454 1339154394 /nfs/dbraw/zinc/15/43/94/1339154394.db2.gz WGROJDIIDDBCQH-DOTOQJQBSA-N 0 0 343.427 2.479 10 10 EECERN CCO[C@@H]1C[C@@](CO)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C ZINC001616470552 1352329078 /nfs/dbraw/zinc/32/90/78/1352329078.db2.gz FRRDNFYKOUOLTI-DYVFJYSZSA-N 0 0 348.403 2.145 10 10 EECERN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O ZINC001557085815 1342440729 /nfs/dbraw/zinc/44/07/29/1342440729.db2.gz WQFLHWKADDFZBL-CQSZACIVSA-N 0 0 338.404 2.263 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CSc2ccccc2O1 ZINC001557192115 1342443303 /nfs/dbraw/zinc/44/33/03/1342443303.db2.gz LZJQTZGPDMFUJP-GFCCVEGCSA-N 0 0 331.393 2.310 10 10 EECERN COc1ncc(/C=C\C(=O)N2CCCc3c4ncn(C)c4ccc32)cn1 ZINC001558824802 1342489241 /nfs/dbraw/zinc/48/92/41/1342489241.db2.gz OGWBTFYVGOPZHC-YVMONPNESA-N 0 0 349.394 2.365 10 10 EECERN NC(=O)c1nccnc1N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001559073533 1342496957 /nfs/dbraw/zinc/49/69/57/1342496957.db2.gz DAMDWFADWKPJNB-UHFFFAOYSA-N 0 0 337.358 2.490 10 10 EECERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(O)c1O ZINC001593739554 1349872301 /nfs/dbraw/zinc/87/23/01/1349872301.db2.gz QBOCWEYZBOZSMV-ZDUSSCGKSA-N 0 0 338.404 2.263 10 10 EECERN CCC/C=C\[C@@H](O)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001596733174 1349911573 /nfs/dbraw/zinc/91/15/73/1349911573.db2.gz MJSPUTMNFAHFDC-HPFMTEOYSA-N 0 0 332.444 2.451 10 10 EECERN Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001621422003 1352367838 /nfs/dbraw/zinc/36/78/38/1352367838.db2.gz JUMFPOZJXKMHSV-UHFFFAOYSA-N 0 0 333.325 2.074 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC001623973728 1352410378 /nfs/dbraw/zinc/41/03/78/1352410378.db2.gz RHYICISZBYFZHS-UHFFFAOYSA-N 0 0 349.390 2.411 10 10 EECERN Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)[nH]1 ZINC001624085054 1352412965 /nfs/dbraw/zinc/41/29/65/1352412965.db2.gz VFMKOFXGEBJIFD-GFCCVEGCSA-N 0 0 341.375 2.295 10 10 EECERN Cn1cc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccc2)cn1 ZINC001625043468 1352438810 /nfs/dbraw/zinc/43/88/10/1352438810.db2.gz AKIZNAKAIRZTRL-IBGZPJMESA-N 0 0 337.379 2.280 10 10 EECERN COC(=O)[C@@H](C)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001626558229 1352466576 /nfs/dbraw/zinc/46/65/76/1352466576.db2.gz LNYVWQDGLQZKNK-JTQLQIEISA-N 0 0 332.360 2.263 10 10 EECERN Cc1noc(-c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cn2)n1 ZINC001627913084 1352514024 /nfs/dbraw/zinc/51/40/24/1352514024.db2.gz OTUFFSMTQJWJFO-UHFFFAOYSA-N 0 0 326.312 2.032 10 10 EECERN COC(=O)c1cnc(N2CC=C(c3c[nH]c4ncccc34)CC2)cn1 ZINC001650174503 1353759760 /nfs/dbraw/zinc/75/97/60/1353759760.db2.gz PXBRVIXODFHBOR-UHFFFAOYSA-N 0 0 335.367 2.433 10 10 EECERN COc1ccc(O[C@@H](C)CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001650845335 1354031110 /nfs/dbraw/zinc/03/11/10/1354031110.db2.gz FFOKHBGQTUDRSH-JTQLQIEISA-N 0 0 335.331 2.443 10 10 EECERN Cc1nc(C(=O)NCc2c(O)cccc2F)nn1-c1ccccc1 ZINC001652295998 1354085826 /nfs/dbraw/zinc/08/58/26/1354085826.db2.gz ZFUJSMWGMSEETM-UHFFFAOYSA-N 0 0 326.331 2.350 10 10 EECERN CC(=O)c1ccc(S(=O)(=O)NCc2c(O)cccc2F)cc1F ZINC001665657475 1355349873 /nfs/dbraw/zinc/34/98/73/1355349873.db2.gz AZEHSDSTLCHLTB-UHFFFAOYSA-N 0 0 341.335 2.352 10 10 EECERN Cc1nn(C)c(C)c1CCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407209 759585694 /nfs/dbraw/zinc/58/56/94/759585694.db2.gz HAEZXCPNMYDQOU-CLFYSBASSA-N 0 0 329.400 2.210 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000067859136 773730427 /nfs/dbraw/zinc/73/04/27/773730427.db2.gz BKYYEMWDRFOTKC-UKRRQHHQSA-N 0 0 346.408 2.050 10 10 EECERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000906738159 784114380 /nfs/dbraw/zinc/11/43/80/784114380.db2.gz IEHTYTCDNIZIEI-NIKGAXFTSA-N 0 0 346.471 2.183 10 10 EECERN CC1(C)OC[C@H]2C[C@]21C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000822687722 787340140 /nfs/dbraw/zinc/34/01/40/787340140.db2.gz FSXZPBPFLMURJR-AUUYWEPGSA-N 0 0 348.418 2.094 10 10 EECERN CC[C@H](O)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000822884207 787432334 /nfs/dbraw/zinc/43/23/34/787432334.db2.gz ZTYXLFQULUQJDM-ZWKOTPCHSA-N 0 0 334.460 2.421 10 10 EECERN Cc1cc(CC(=O)NC[C@H]2COCCO2)c(C)n1-c1ccccc1 ZINC000822899131 787450142 /nfs/dbraw/zinc/45/01/42/787450142.db2.gz XFBLKXCQOHDEST-SFHVURJKSA-N 0 0 328.412 2.168 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@H]1C1CC1 ZINC000823524142 787786192 /nfs/dbraw/zinc/78/61/92/787786192.db2.gz PAUQARAUECYWAL-SFHVURJKSA-N 0 0 329.444 2.342 10 10 EECERN CO[C@]12CCC[C@@]1(C(=O)NCc1ccc3cccnc3c1O)CCO2 ZINC000823769484 787926430 /nfs/dbraw/zinc/92/64/30/787926430.db2.gz OKDPCOOLPUBSOB-OALUTQOASA-N 0 0 342.395 2.490 10 10 EECERN COC[C@](C)(O)CC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000824559594 788216172 /nfs/dbraw/zinc/21/61/72/788216172.db2.gz WBXFUCWBSIWTKP-CQSZACIVSA-N 0 0 332.238 2.340 10 10 EECERN CCOC(=O)C1(O)CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824848558 788336753 /nfs/dbraw/zinc/33/67/53/788336753.db2.gz ABZGPHCHXMPROL-UHFFFAOYSA-N 0 0 327.808 2.244 10 10 EECERN COC(=O)c1n[nH]c2c1CN(Cc1cc(Cl)cc(C)c1O)CC2 ZINC000825016336 788396629 /nfs/dbraw/zinc/39/66/29/788396629.db2.gz AZZILJQGXVDGCL-UHFFFAOYSA-N 0 0 335.791 2.422 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3CCC(=O)[C@H](C)C3)C2)cc1 ZINC000922950256 788425342 /nfs/dbraw/zinc/42/53/42/788425342.db2.gz GRZHKWHUKZLLLT-CABCVRRESA-N 0 0 345.443 2.142 10 10 EECERN COc1ccc([C@@]2(C(=O)NCc3cc(C)ccc3O)C[C@@H](O)C2)cc1 ZINC000913000407 788537133 /nfs/dbraw/zinc/53/71/33/788537133.db2.gz IRLQCXFUGUTFOI-UKIBZPOASA-N 0 0 341.407 2.418 10 10 EECERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000074136556 788667663 /nfs/dbraw/zinc/66/76/63/788667663.db2.gz CIXSPVBIWVWCAB-GFCCVEGCSA-N 0 0 341.502 2.389 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3cn4c(n3)CCC4)CC2)cc1 ZINC000843533818 788681315 /nfs/dbraw/zinc/68/13/15/788681315.db2.gz ONSSZSCQJNGTPQ-UHFFFAOYSA-N 0 0 340.427 2.190 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCOC[C@H]2C)cc1 ZINC000845153564 789611019 /nfs/dbraw/zinc/61/10/19/789611019.db2.gz RVLMYAALBUQMQJ-PBHICJAKSA-N 0 0 335.448 2.198 10 10 EECERN CN(C)c1ccc(CNC(=O)NCC[C@H](O)C(F)(F)F)cc1F ZINC000798392883 806277695 /nfs/dbraw/zinc/27/76/95/806277695.db2.gz GWFCFENGSQEQJR-LBPRGKRZSA-N 0 0 337.317 2.004 10 10 EECERN COc1ccc([C@@]2(C(=O)N3Cc4cccc(O)c4C3)C[C@@H](O)C2)cc1 ZINC000913726353 794182884 /nfs/dbraw/zinc/18/28/84/794182884.db2.gz NAVHUAPTYOJCCH-SGNKCFNYSA-N 0 0 339.391 2.336 10 10 EECERN CC(C)(C)OC(=O)C1(C(=O)N2Cc3cccc(O)c3C2)CCOCC1 ZINC000913725914 794183318 /nfs/dbraw/zinc/18/33/18/794183318.db2.gz CVDUYRCZKLIADH-UHFFFAOYSA-N 0 0 347.411 2.373 10 10 EECERN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1Cc2cccc(O)c2C1 ZINC001175029269 797969482 /nfs/dbraw/zinc/96/94/82/797969482.db2.gz ACPGKHKTJXEORR-CYBMUJFWSA-N 0 0 326.327 2.500 10 10 EECERN COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(O)c1O ZINC001177969202 799189166 /nfs/dbraw/zinc/18/91/66/799189166.db2.gz NAWHUAZTGVVMEH-AWEZNQCLSA-N 0 0 347.342 2.059 10 10 EECERN CC(C)C[C@H](NCC(F)(F)F)C(=O)NCc1c(O)cccc1O ZINC001178917324 799699779 /nfs/dbraw/zinc/69/97/79/799699779.db2.gz NQWUPBBFMKYUHH-NSHDSACASA-N 0 0 334.338 2.281 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C2CC(CC(N)=O)C2)c1 ZINC000922510853 801214057 /nfs/dbraw/zinc/21/40/57/801214057.db2.gz FYCJLSFAFGGGMK-UHFFFAOYSA-N 0 0 327.222 2.207 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@H](C(=O)OC)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000786817510 806912385 /nfs/dbraw/zinc/91/23/85/806912385.db2.gz YTUHYWDNAXLPMW-YQCLLZEUSA-N 0 0 348.355 2.169 10 10 EECERN C[C@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccccc1O ZINC000788610961 807584358 /nfs/dbraw/zinc/58/43/58/807584358.db2.gz UPBIVPNVMQPLHC-ZDUSSCGKSA-N 0 0 325.412 2.409 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](CO)c1cccnc1 ZINC000806819161 812002506 /nfs/dbraw/zinc/00/25/06/812002506.db2.gz ASMASYJTDLQMBC-QGZVFWFLSA-N 0 0 342.443 2.031 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000808510795 812682462 /nfs/dbraw/zinc/68/24/62/812682462.db2.gz IOBHMWDEHOSZPG-NEPJUHHUSA-N 0 0 325.158 2.254 10 10 EECERN CC(=O)C(=O)COC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC000808535523 812705368 /nfs/dbraw/zinc/70/53/68/812705368.db2.gz PDCIYOYZVFTURV-UHFFFAOYSA-N 0 0 342.373 2.113 10 10 EECERN CN(C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccco1 ZINC001440560134 1093828735 /nfs/dbraw/zinc/82/87/35/1093828735.db2.gz URPGRGNOQNOUOA-ZDUSSCGKSA-N 0 0 329.360 2.475 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC001451772419 1097918727 /nfs/dbraw/zinc/91/87/27/1097918727.db2.gz VSGITZJDTNTZSK-UHFFFAOYSA-N 0 0 333.344 2.332 10 10 EECERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001446394332 1100783374 /nfs/dbraw/zinc/78/33/74/1100783374.db2.gz RNRWZKPXVFZNOX-MRXNPFEDSA-N 0 0 329.396 2.440 10 10 EECERN COc1ccc(OC)c(CCCNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001447298873 1102398164 /nfs/dbraw/zinc/39/81/64/1102398164.db2.gz FMDUAMWRNLWEFW-UHFFFAOYSA-N 0 0 345.395 2.407 10 10 EECERN Cc1ccc(C(=O)NCc2cc3c([nH]c2=O)CCCC3)c(O)c1O ZINC001454994825 1108081017 /nfs/dbraw/zinc/08/10/17/1108081017.db2.gz YVSMYJYCUBRBSB-UHFFFAOYSA-N 0 0 328.368 2.316 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccn(-c2ccccc2F)n1 ZINC001469161317 1110486164 /nfs/dbraw/zinc/48/61/64/1110486164.db2.gz XYUMERTXFGESRS-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN Cc1noc(-c2ccccc2C(=O)NCc2cc(O)ccc2O)n1 ZINC001471661564 1110527754 /nfs/dbraw/zinc/52/77/54/1110527754.db2.gz STHXIISTSAPOSA-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001471975219 1110537149 /nfs/dbraw/zinc/53/71/49/1110537149.db2.gz UNKCFXAUJQYWML-MHWRWJLKSA-N 0 0 328.343 2.325 10 10 EECERN O=C(NCc1cc2ccccc2[nH]c1=O)c1c(F)ccc(O)c1O ZINC001472634117 1110561469 /nfs/dbraw/zinc/56/14/69/1110561469.db2.gz MZTHDYIFYMNXHO-UHFFFAOYSA-N 0 0 328.299 2.421 10 10 EECERN Cc1ncc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC001478799069 1110657646 /nfs/dbraw/zinc/65/76/46/1110657646.db2.gz WWKXAGUSOVUHBO-UHFFFAOYSA-N 0 0 344.415 2.161 10 10 EECERN CCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001501330906 1113302009 /nfs/dbraw/zinc/30/20/09/1113302009.db2.gz ZAZAALOUFUIYDN-GXTWGEPZSA-N 0 0 345.403 2.274 10 10 EECERN Cc1cc(CNC(=O)c2ccc3nnnn3c2)c(C)n1-c1ccccc1 ZINC001534765740 1123407001 /nfs/dbraw/zinc/40/70/01/1123407001.db2.gz IBQPBLFUCODXNS-UHFFFAOYSA-N 0 0 346.394 2.462 10 10 EECERN NC(=O)c1ccc(/C=C/C(=O)Nc2c3nonc3ccc2Cl)o1 ZINC001539054205 1124044088 /nfs/dbraw/zinc/04/40/88/1124044088.db2.gz MUXKHMHNANROPQ-QHHAFSJGSA-N 0 0 332.703 2.220 10 10 EECERN CC(=O)NC(=CC1=S=CC=C1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC001540458485 1124083469 /nfs/dbraw/zinc/08/34/69/1124083469.db2.gz PQXQSIHCZZGBMC-YBEGLDIGSA-N 0 0 328.393 2.125 10 10 EECERN O=C(c1cccc(O)c1O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000193127720 465027524 /nfs/dbraw/zinc/02/75/24/465027524.db2.gz GXYDSWUJZFUNMN-ZDUSSCGKSA-N 0 0 342.399 2.393 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2cccs2)C(=O)C1 ZINC000186241389 463958834 /nfs/dbraw/zinc/95/88/34/463958834.db2.gz NUFONYCCZKFGGR-GQCTYLIASA-N 0 0 344.392 2.048 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@H](C)[C@@H](C)OC)CC2)cc1F ZINC000291062584 464143546 /nfs/dbraw/zinc/14/35/46/464143546.db2.gz WLMUIMRJWYWQBO-CHWSQXEVSA-N 0 0 339.411 2.089 10 10 EECERN CO[C@H](C)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000280005335 464180692 /nfs/dbraw/zinc/18/06/92/464180692.db2.gz GGEDACMWWFTEJS-VHSXEESVSA-N 0 0 326.780 2.233 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@]3(C)CCC(=O)NC3)cc2)CC1 ZINC000281250796 464387121 /nfs/dbraw/zinc/38/71/21/464387121.db2.gz MNMIBJZGRSCDNR-HXUWFJFHSA-N 0 0 343.471 2.455 10 10 EECERN Cc1[nH]nc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C ZINC000266964287 464887698 /nfs/dbraw/zinc/88/76/98/464887698.db2.gz AKWVTAMJAXRZIP-UHFFFAOYSA-N 0 0 346.406 2.057 10 10 EECERN CCN(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OC)cc1 ZINC000267964591 464945355 /nfs/dbraw/zinc/94/53/55/464945355.db2.gz ULLCGCSRWMPWPO-AWEZNQCLSA-N 0 0 326.462 2.193 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(n2ccnn2)C1 ZINC000368600536 466685783 /nfs/dbraw/zinc/68/57/83/466685783.db2.gz BZLAJOKUZIKWCH-UHFFFAOYSA-N 0 0 327.413 2.444 10 10 EECERN COC(=O)C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC000365007014 466727297 /nfs/dbraw/zinc/72/72/97/466727297.db2.gz ALFPEBUEFNDCNB-PSKZRQQASA-N 0 0 338.363 2.494 10 10 EECERN COc1cccc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000375261648 466833060 /nfs/dbraw/zinc/83/30/60/466833060.db2.gz FFEXIBNSKGFGSV-HNNXBMFYSA-N 0 0 331.416 2.325 10 10 EECERN Cc1ccc(C(=O)NC[C@@]2(C)COc3ccccc3O2)c(O)c1O ZINC000529617424 467886813 /nfs/dbraw/zinc/88/68/13/467886813.db2.gz NGKNZJPDJDYXFI-SFHVURJKSA-N 0 0 329.352 2.366 10 10 EECERN CC(C)OC(=O)N1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000733039144 577200952 /nfs/dbraw/zinc/20/09/52/577200952.db2.gz RAELICHKJITCBS-UHFFFAOYSA-N 0 0 335.404 2.201 10 10 EECERN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000775367600 577435946 /nfs/dbraw/zinc/43/59/46/577435946.db2.gz ADUXQMSMMASFMP-NEPJUHHUSA-N 0 0 336.388 2.003 10 10 EECERN C[C@@H](NC(=O)Nc1cnc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000775692065 577443046 /nfs/dbraw/zinc/44/30/46/577443046.db2.gz XMTOYQNKLPBFCF-GFCCVEGCSA-N 0 0 328.420 2.491 10 10 EECERN CS(=O)(=O)Nc1ccc(/C=C\C(=O)NCc2ccccc2O)cc1 ZINC000769361577 577575904 /nfs/dbraw/zinc/57/59/04/577575904.db2.gz OXIYLYSFHQKBMK-FLIBITNWSA-N 0 0 346.408 2.093 10 10 EECERN COc1ccc(N2CCN(C(=O)CCOCC3CC3)CC2)cc1F ZINC000753741998 577792619 /nfs/dbraw/zinc/79/26/19/577792619.db2.gz LCYJFPAOEHRUJX-UHFFFAOYSA-N 0 0 336.407 2.300 10 10 EECERN COCCN(CC(=O)N(C)CC1CC1)c1ccc(OC)c(OC)c1 ZINC000746478374 577928481 /nfs/dbraw/zinc/92/84/81/577928481.db2.gz ZDAFUOYNLLSSGP-UHFFFAOYSA-N 0 0 336.432 2.025 10 10 EECERN CN(C)c1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ns1 ZINC000749299249 577974274 /nfs/dbraw/zinc/97/42/74/577974274.db2.gz VASXZJBFEYOTBP-AWEZNQCLSA-N 0 0 348.472 2.491 10 10 EECERN COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000175854484 676381271 /nfs/dbraw/zinc/38/12/71/676381271.db2.gz NIZANQNGWFJMJY-CQSZACIVSA-N 0 0 348.237 2.040 10 10 EECERN COc1ccc(O)c([C@H](C)NS(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000161191948 678282339 /nfs/dbraw/zinc/28/23/39/678282339.db2.gz OKWRQGGODRHNRJ-RYUDHWBXSA-N 0 0 328.434 2.028 10 10 EECERN COC(=O)/C(C)=C\CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000914180892 683338867 /nfs/dbraw/zinc/33/88/67/683338867.db2.gz ZNZMSTYRKADTOV-ZROIWOOFSA-N 0 0 331.416 2.205 10 10 EECERN C[C@@H](CC[S@@](C)=O)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896731322 685209320 /nfs/dbraw/zinc/20/93/20/685209320.db2.gz NECOFCMINHQRDG-HXNGOWOSSA-N 0 0 327.427 2.199 10 10 EECERN CCO[C@@H]1COCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897389768 688738431 /nfs/dbraw/zinc/73/84/31/688738431.db2.gz BOKRBQWHJWKELE-ZWNOBZJWSA-N 0 0 337.397 2.236 10 10 EECERN CCOC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000899137684 693630071 /nfs/dbraw/zinc/63/00/71/693630071.db2.gz NEAJOPJVEOOEGO-LLVKDONJSA-N 0 0 337.397 2.190 10 10 EECERN Cc1cc(CNC(=O)N2CCNC(=O)[C@H]2C)c(C)n1-c1ccccc1 ZINC001687286350 1177262724 /nfs/dbraw/zinc/26/27/24/1177262724.db2.gz FGFSQGYIWKHNTA-OAHLLOKOSA-N 0 0 340.427 2.124 10 10 EECERN CC(C)=CC(=O)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001746864995 1188060994 /nfs/dbraw/zinc/06/09/94/1188060994.db2.gz OKIXGCCPTBVKKG-UHFFFAOYSA-N 0 0 345.403 2.346 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N3C[C@H](OC)C[C@]3(C)C2=O)cc1 ZINC000865300071 1198158258 /nfs/dbraw/zinc/15/82/58/1198158258.db2.gz WQRXCVHBCMEIJK-VQIMIIECSA-N 0 0 345.443 2.474 10 10 EECERN CO[C@@H]1CN2C(=O)N([C@@H](C)c3ccc(N(C)C)cc3)C(=O)[C@]2(C)C1 ZINC000865304631 1198161559 /nfs/dbraw/zinc/16/15/59/1198161559.db2.gz DURXESUDZYYSEK-QITLCBANSA-N 0 0 331.416 2.255 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865327689 1198170189 /nfs/dbraw/zinc/17/01/89/1198170189.db2.gz LZCAZTCKBGPBKV-HOTGVXAUSA-N 0 0 344.411 2.219 10 10 EECERN COC(=O)c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])no1 ZINC000813686283 1199143579 /nfs/dbraw/zinc/14/35/79/1199143579.db2.gz XOFNJQFATUVXOB-UHFFFAOYSA-N 0 0 345.138 2.404 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(O[C@H](C)C(F)(F)F)nc1C ZINC000869795785 1200285204 /nfs/dbraw/zinc/28/52/04/1200285204.db2.gz RACXEYSZKCBEDL-SECBINFHSA-N 0 0 333.262 2.035 10 10 EECERN CSCCNC(=S)NCc1cc(Br)ccc1O ZINC000795154667 1201009592 /nfs/dbraw/zinc/00/95/92/1201009592.db2.gz HNPCOBZRXGPCPU-UHFFFAOYSA-N 0 0 335.292 2.482 10 10 EECERN COCCOc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000866100123 1201431649 /nfs/dbraw/zinc/43/16/49/1201431649.db2.gz IUXXBKFUFFXPHO-UHFFFAOYSA-N 0 0 329.356 2.360 10 10 EECERN COc1c(F)cccc1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000866424507 1201514788 /nfs/dbraw/zinc/51/47/88/1201514788.db2.gz KBWDMEGUIQKCGA-UHFFFAOYSA-N 0 0 338.404 2.379 10 10 EECERN C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)nn1C)c1ccccc1O ZINC000867836088 1201690738 /nfs/dbraw/zinc/69/07/38/1201690738.db2.gz DPEATYSELVTOQP-QMMMGPOBSA-N 0 0 349.334 2.184 10 10 EECERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928709895 1206413815 /nfs/dbraw/zinc/41/38/15/1206413815.db2.gz NBBNBCQKDDPPLN-KRWDZBQOSA-N 0 0 342.370 2.121 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)[C@]12CCO[C@@H]1CCCC2 ZINC000930522809 1206564536 /nfs/dbraw/zinc/56/45/36/1206564536.db2.gz JHAZTTQWCWLAIT-UYAOXDASSA-N 0 0 344.455 2.489 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cn4ccnc4s3)CC2)cc1 ZINC000188142655 1208627436 /nfs/dbraw/zinc/62/74/36/1208627436.db2.gz KOECXZLTSZAFGZ-UHFFFAOYSA-N 0 0 342.424 2.367 10 10 EECERN C[C@H](NC(=O)NCc1cc(C(N)=O)co1)c1ccc(N(C)C)cc1 ZINC000779661275 1210730738 /nfs/dbraw/zinc/73/07/38/1210730738.db2.gz NQKKYHWXGXUSNZ-NSHDSACASA-N 0 0 330.388 2.005 10 10 EECERN CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000900755468 1234762773 /nfs/dbraw/zinc/76/27/73/1234762773.db2.gz OOTOGGKLRFUFLR-PHWHVTFISA-N 0 0 346.471 2.229 10 10 EECERN CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000827544906 1248408003 /nfs/dbraw/zinc/40/80/03/1248408003.db2.gz NSMGCYSOBPEPHI-LBPRGKRZSA-N 0 0 329.803 2.372 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Br)n[nH]1 ZINC000827957526 1253911990 /nfs/dbraw/zinc/91/19/90/1253911990.db2.gz VCXDRICZRCMIEP-UHFFFAOYSA-N 0 0 337.221 2.477 10 10 EECERN CC[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc(Cl)c1[O-] ZINC000850507367 1277254312 /nfs/dbraw/zinc/25/43/12/1277254312.db2.gz IWDFQUTUXNJMNS-HOCLYGCPSA-N 0 0 329.824 2.254 10 10 EECERN Nc1ccc(CCNC(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000851663532 1277707502 /nfs/dbraw/zinc/70/75/02/1277707502.db2.gz BFTPYIUIADEIOK-ZDUSSCGKSA-N 0 0 331.338 2.174 10 10 EECERN COc1cccc(CNC(=O)c2c(Cl)nn(C)c2Cl)c1O ZINC001545684281 1290519309 /nfs/dbraw/zinc/51/93/09/1290519309.db2.gz QQWZJJRNLCLVMF-UHFFFAOYSA-N 0 0 330.171 2.371 10 10 EECERN COC(=O)CN(CCC(OC)OC)Cc1cc(Cl)ccc1O ZINC000851840352 1291876606 /nfs/dbraw/zinc/87/66/06/1291876606.db2.gz DKCLNCDAYANXAR-UHFFFAOYSA-N 0 0 331.796 2.030 10 10 EECERN C[C@H](NC(=O)N[C@H]1C[C@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000852261545 1292070219 /nfs/dbraw/zinc/07/02/19/1292070219.db2.gz RRXKBGJFZWTXKA-HUBLWGQQSA-N 0 0 328.420 2.410 10 10 EECERN CCO[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852454596 1292118437 /nfs/dbraw/zinc/11/84/37/1292118437.db2.gz POJVBXDBURJBHH-CRAIPNDOSA-N 0 0 347.459 2.484 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000853858536 1292492502 /nfs/dbraw/zinc/49/25/02/1292492502.db2.gz OCJWYFUYZVJDNN-HUIAQSGMSA-N 0 0 332.356 2.254 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC(c4ccon4)CC3)cc2N1 ZINC000853942756 1292543946 /nfs/dbraw/zinc/54/39/46/1292543946.db2.gz ICLPCAIOUODPHN-UHFFFAOYSA-N 0 0 344.327 2.298 10 10 EECERN CC[C@@H]1[C@H](CO)CCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296855 1292707385 /nfs/dbraw/zinc/70/73/85/1292707385.db2.gz HDAQQBLRBNODSV-HDMKZQKVSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@H]3C3CC3)C2)cc1 ZINC000854298530 1292710288 /nfs/dbraw/zinc/71/02/88/1292710288.db2.gz DVBBXQYHAJYBSB-QAPCUYQASA-N 0 0 345.443 2.094 10 10 EECERN CC[C@@]1(CO)CCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299309 1292710368 /nfs/dbraw/zinc/71/03/68/1292710368.db2.gz NQTYUFHMBPXVEX-BEFAXECRSA-N 0 0 347.459 2.220 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC(C)(CO)CC3)C2)cc1 ZINC000854300397 1292710950 /nfs/dbraw/zinc/71/09/50/1292710950.db2.gz YZVGVJDVCCCMNS-OAHLLOKOSA-N 0 0 347.459 2.078 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(OC)n3)C2)cc1 ZINC000855234019 1293123189 /nfs/dbraw/zinc/12/31/89/1293123189.db2.gz QTDJXKHXWPMRHR-ZDUSSCGKSA-N 0 0 327.384 2.108 10 10 EECERN CC[C@@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 ZINC000855881020 1293352759 /nfs/dbraw/zinc/35/27/59/1293352759.db2.gz ULMLJPVGUZWVIB-OAHLLOKOSA-N 0 0 326.418 2.072 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCO[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000858798040 1294229703 /nfs/dbraw/zinc/22/97/03/1294229703.db2.gz VLVBJALELWXHRW-HSBHDXMMSA-N 0 0 338.335 2.346 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2c(n1)COCC2 ZINC000858826281 1294238280 /nfs/dbraw/zinc/23/82/80/1294238280.db2.gz GJMPSMNHVUEYEY-UHFFFAOYSA-N 0 0 328.416 2.142 10 10 EECERN Cc1cc(C(=O)NC[C@H]2COCCN2C)c(C)n1-c1ccc(F)cc1 ZINC000862972443 1296051409 /nfs/dbraw/zinc/05/14/09/1296051409.db2.gz ZVFAMFIGLWENKB-KRWDZBQOSA-N 0 0 345.418 2.294 10 10 EECERN COC(=O)[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C)O1 ZINC000863307107 1296211925 /nfs/dbraw/zinc/21/19/25/1296211925.db2.gz MQEHZJAFHIOAQL-ABAIWWIYSA-N 0 0 337.416 2.158 10 10 EECERN COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc(C)cc(C)c1 ZINC001138682093 1314643350 /nfs/dbraw/zinc/64/33/50/1314643350.db2.gz WSTGPUVPRWARGA-SFHVURJKSA-N 0 0 343.379 2.288 10 10 EECERN COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000839604688 1315219145 /nfs/dbraw/zinc/21/91/45/1315219145.db2.gz FENJBFDJQHEZRZ-JKSUJKDBSA-N 0 0 330.428 2.275 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@@H](C3CCC3)C2)cc1 ZINC000839623749 1315222036 /nfs/dbraw/zinc/22/20/36/1315222036.db2.gz SAXFMMSYQWLGNO-LJQANCHMSA-N 0 0 345.487 2.212 10 10 EECERN COc1ccc(N2CCN(CN3C[C@@H]4CCC[C@H]4C3=O)CC2)cc1F ZINC000840027563 1315277716 /nfs/dbraw/zinc/27/77/16/1315277716.db2.gz ZJSPFVHZLZAQSV-GOEBONIOSA-N 0 0 347.434 2.172 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)[C@@H](C2CCC2)C1 ZINC000840173751 1315316303 /nfs/dbraw/zinc/31/63/03/1315316303.db2.gz DTGBDLIWFQXOMG-QGZVFWFLSA-N 0 0 335.469 2.280 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 ZINC001291624089 1328311924 /nfs/dbraw/zinc/31/19/24/1328311924.db2.gz GBQIWTAKKMLHAI-AWEZNQCLSA-N 0 0 342.359 2.477 10 10 EECERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Cc1ccc(O)c(O)c1 ZINC001295420012 1329809741 /nfs/dbraw/zinc/80/97/41/1329809741.db2.gz UYJAFZKUTNHDDV-UHFFFAOYSA-N 0 0 343.305 2.051 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC(=O)OCc1ccc(Cl)cc1 ZINC001295549817 1329821098 /nfs/dbraw/zinc/82/10/98/1329821098.db2.gz QHJQEPVXKMPHBY-UHFFFAOYSA-N 0 0 349.770 2.153 10 10 EECERN CC(=O)N[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001297816905 1330005164 /nfs/dbraw/zinc/00/51/64/1330005164.db2.gz MYFYYPXFKBIDQG-CQSZACIVSA-N 0 0 333.392 2.130 10 10 EECERN COC[C@@H](Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O)OC ZINC001301001587 1331286218 /nfs/dbraw/zinc/28/62/18/1331286218.db2.gz WJALJJWCYMIUDV-OAHLLOKOSA-N 0 0 348.447 2.405 10 10 EECERN CCOC(=O)C12CC(C1)CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001301062798 1331287433 /nfs/dbraw/zinc/28/74/33/1331287433.db2.gz PKUPBNZAGIFXOX-UHFFFAOYSA-N 0 0 330.344 2.017 10 10 EECERN C[C@@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)c1ccccc1O ZINC001302530140 1331328429 /nfs/dbraw/zinc/32/84/29/1331328429.db2.gz BKNWATSWNKSIPC-GFCCVEGCSA-N 0 0 339.351 2.086 10 10 EECERN COc1ccc(C(=O)NCc2cc(O)ccc2O)c(OC)c1OC ZINC001303223416 1331350549 /nfs/dbraw/zinc/35/05/49/1331350549.db2.gz OQHKRYAPZPHWEI-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2[nH]nc(C)c2[O-])cc1C ZINC001317387960 1332210706 /nfs/dbraw/zinc/21/07/06/1332210706.db2.gz FNXISNHFQZQKSP-LBPRGKRZSA-N 0 0 346.431 2.039 10 10 EECERN CCOc1ccc(N2CCN(C(=O)/C=C/[C@@H]3CCCO3)CC2)cc1 ZINC001326159511 1334034608 /nfs/dbraw/zinc/03/46/08/1334034608.db2.gz JGWCWCNLJBZEQS-FVNWOWOISA-N 0 0 330.428 2.469 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCOC1(C)C ZINC001328298322 1334440053 /nfs/dbraw/zinc/44/00/53/1334440053.db2.gz PLIZMHQMXIROQH-HNNXBMFYSA-N 0 0 348.443 2.062 10 10 EECERN CN(C)c1ccc(CNC(=O)NCC(O)(C2CC2)C2CC2)cc1F ZINC001328557384 1334479437 /nfs/dbraw/zinc/47/94/37/1334479437.db2.gz QAXDZZKDNDIMRF-UHFFFAOYSA-N 0 0 335.423 2.242 10 10 EECERN CCCc1n[nH]cc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001329350710 1334632373 /nfs/dbraw/zinc/63/23/73/1334632373.db2.gz FOWFUUXHUSMLME-ZDUSSCGKSA-N 0 0 328.416 2.380 10 10 EECERN C[C@H](NC(=O)C(=O)N[C@@H]1CCS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001332948598 1335935359 /nfs/dbraw/zinc/93/53/59/1335935359.db2.gz NSXMBFHQHCBVMM-VNHYZAJKSA-N 0 0 349.500 2.330 10 10 EECERN COC(=O)[C@@]1(C(=O)NCc2cccc(O)c2O)C[C@@H]1c1ccccc1 ZINC001350315758 1337694632 /nfs/dbraw/zinc/69/46/32/1337694632.db2.gz RFQKEPRTDCQXJD-KUHUBIRLSA-N 0 0 341.363 2.061 10 10 EECERN CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(O)c1O ZINC001615032480 1352322682 /nfs/dbraw/zinc/32/26/82/1352322682.db2.gz WMIYAKZJUAPOFK-GFCCVEGCSA-N 0 0 329.352 2.400 10 10 EECERN CC(=O)NCC[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001556887241 1342437418 /nfs/dbraw/zinc/43/74/18/1342437418.db2.gz NGUJUFCTSMLJAD-CYBMUJFWSA-N 0 0 345.403 2.227 10 10 EECERN COC(=O)[C@@H]1CCCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567441741 1342761394 /nfs/dbraw/zinc/76/13/94/1342761394.db2.gz WAFZICBFHJBUQT-ZDUSSCGKSA-N 0 0 332.360 2.407 10 10 EECERN CCN1CCOC[C@@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001587886617 1348874140 /nfs/dbraw/zinc/87/41/40/1348874140.db2.gz RNBXFLUZEVONKN-LJQANCHMSA-N 0 0 341.455 2.431 10 10 EECERN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001593881023 1349873119 /nfs/dbraw/zinc/87/31/19/1349873119.db2.gz CFKZEVGADYVQSW-INIZCTEOSA-N 0 0 341.363 2.447 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c([nH]c2=O)CCOC3)c1 ZINC001595806578 1349895563 /nfs/dbraw/zinc/89/55/63/1349895563.db2.gz PNCQDCBIGMAADZ-JTQLQIEISA-N 0 0 344.367 2.065 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001595806872 1349895756 /nfs/dbraw/zinc/89/57/56/1349895756.db2.gz YJTRUGOABRISDJ-MGPLVRAMSA-N 0 0 346.339 2.220 10 10 EECERN CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC001596130068 1349902045 /nfs/dbraw/zinc/90/20/45/1349902045.db2.gz NDLVCQIJZPCOKK-HZSPNIEDSA-N 0 0 344.371 2.120 10 10 EECERN COc1ccc(OC)c(CCNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001597460626 1349924768 /nfs/dbraw/zinc/92/47/68/1349924768.db2.gz WPVXIIKHGLZOOC-UHFFFAOYSA-N 0 0 331.368 2.016 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncoc1-c1ccon1 ZINC001624955130 1352435751 /nfs/dbraw/zinc/43/57/51/1352435751.db2.gz SFWQDJUAIOAMPY-SECBINFHSA-N 0 0 329.312 2.102 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 ZINC001625055292 1352439093 /nfs/dbraw/zinc/43/90/93/1352439093.db2.gz DPWQRYQENOKODV-UHFFFAOYSA-N 0 0 329.291 2.339 10 10 EECERN CC(C)(C)OC(=O)NC/C=C/CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001631501391 1352585140 /nfs/dbraw/zinc/58/51/40/1352585140.db2.gz ICOFJFJTRPLMKO-ADNKFJFNSA-N 0 0 348.399 2.308 10 10 EECERN COC(=O)c1cc(C)cc(C(=O)NCc2cccc(OC)c2O)c1 ZINC001631539666 1352586200 /nfs/dbraw/zinc/58/62/00/1352586200.db2.gz ASCYQQVEGCURHF-UHFFFAOYSA-N 0 0 329.352 2.426 10 10 EECERN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@]2(CCCOC2)O1 ZINC001634155337 1352622788 /nfs/dbraw/zinc/62/27/88/1352622788.db2.gz HACFRUOEABHKEE-SJCJKPOMSA-N 0 0 346.387 2.259 10 10 EECERN COCc1nc(C(=O)NCc2ccc3cccnc3c2O)cs1 ZINC001638573148 1352689813 /nfs/dbraw/zinc/68/98/13/1352689813.db2.gz KRPRPMUWWPMADC-UHFFFAOYSA-N 0 0 329.381 2.473 10 10 EECERN C[C@H]1CCC(F)(F)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001655861763 1354187775 /nfs/dbraw/zinc/18/77/75/1354187775.db2.gz UUZMSLDGZQFFJR-ZDUSSCGKSA-N 0 0 325.403 2.488 10 10 EECERN O=C(NCc1ccnc(-c2ccccn2)n1)NCc1ccccc1O ZINC001675585444 1357009171 /nfs/dbraw/zinc/00/91/71/1357009171.db2.gz QNKCUFSKSMKZGP-UHFFFAOYSA-N 0 0 335.367 2.244 10 10 EECERN C[C@H](NC(=O)c1cn2c(n1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000843537565 757038883 /nfs/dbraw/zinc/03/88/83/757038883.db2.gz XTFIOJZBSZDWIS-AWEZNQCLSA-N 0 0 340.427 2.157 10 10 EECERN C[C@H](NC(=O)NCc1c(O)cccc1F)C(=O)N1CCCC[C@@H]1C ZINC000919373649 769828777 /nfs/dbraw/zinc/82/87/77/769828777.db2.gz CPDJATFJKANSTG-RYUDHWBXSA-N 0 0 337.395 2.120 10 10 EECERN COc1ccc(N(C)CC(=O)N2C[C@H](C)OC(C)(C)C2)c(OC)c1 ZINC000930076037 769887320 /nfs/dbraw/zinc/88/73/20/769887320.db2.gz BKSXAEZMCUJQMN-ZDUSSCGKSA-N 0 0 336.432 2.166 10 10 EECERN O=S(=O)(NCc1c(O)cccc1F)c1cccc2c1OCCC2 ZINC000921451073 773382127 /nfs/dbraw/zinc/38/21/27/773382127.db2.gz JSSRLQGBMUQIBT-UHFFFAOYSA-N 0 0 337.372 2.335 10 10 EECERN COc1ccc(CNC(=O)[C@@H](C(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC000846949483 790767592 /nfs/dbraw/zinc/76/75/92/790767592.db2.gz HYVNKZQUUAQPFE-HNNXBMFYSA-N 0 0 335.400 2.385 10 10 EECERN COC(=O)c1coc(C(=O)NCCCSc2nccs2)c1 ZINC000183620353 781355286 /nfs/dbraw/zinc/35/52/86/781355286.db2.gz XTUWRNAJMQXVSN-UHFFFAOYSA-N 0 0 326.399 2.435 10 10 EECERN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H](O)CN1CCOCC1 ZINC000817299210 784664523 /nfs/dbraw/zinc/66/45/23/784664523.db2.gz WSFKNNUBNMNPKH-MSOLQXFVSA-N 0 0 348.487 2.023 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)c3ccnn3C)C2)cc1 ZINC000819587206 785596945 /nfs/dbraw/zinc/59/69/45/785596945.db2.gz IEWKPINGHUBEPB-CABCVRRESA-N 0 0 342.443 2.175 10 10 EECERN CN(C)c1ccc(CN(C(=O)CCc2cn(C)nn2)C2CC2)cc1 ZINC000821032968 786565781 /nfs/dbraw/zinc/56/57/81/786565781.db2.gz JKMIDIJKOBTCQS-UHFFFAOYSA-N 0 0 327.432 2.005 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccncc3C)C2)cc1 ZINC000822278723 787107543 /nfs/dbraw/zinc/10/75/43/787107543.db2.gz YXLKQIASVLFXCB-CQSZACIVSA-N 0 0 326.400 2.221 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3COCC3(C)C)C2)cc1 ZINC000823680202 787886573 /nfs/dbraw/zinc/88/65/73/787886573.db2.gz HPYXYEMLYFTJEB-RHSMWYFYSA-N 0 0 347.459 2.246 10 10 EECERN Cn1cc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)nn1 ZINC000824261342 788111665 /nfs/dbraw/zinc/11/16/65/788111665.db2.gz BEVYEESQQUCMAE-UHFFFAOYSA-N 0 0 327.432 2.054 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)Nc3c(C)cnn3C)C2)cc1 ZINC000824417323 788178208 /nfs/dbraw/zinc/17/82/08/788178208.db2.gz XXIZBSCTFZYTMI-AWEZNQCLSA-N 0 0 343.431 2.385 10 10 EECERN COC(=O)C(C)(C)n1ccc(NC(=O)N(C)Cc2ccccc2O)n1 ZINC000825375220 788597117 /nfs/dbraw/zinc/59/71/17/788597117.db2.gz KBGZFXYAPFJOOI-UHFFFAOYSA-N 0 0 346.387 2.161 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cc(C)nc(C)n2)cc1 ZINC000844856646 789401985 /nfs/dbraw/zinc/40/19/85/789401985.db2.gz SBUOQAAOZUTQGG-UHFFFAOYSA-N 0 0 328.416 2.310 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC(Cn3cnnc3)CC2)cc1OC ZINC000845699247 789906812 /nfs/dbraw/zinc/90/68/12/789906812.db2.gz OYKHLXHJADDISA-UHFFFAOYSA-N 0 0 347.375 2.120 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@]1(CO)CCc2ccccc21 ZINC000846345459 790140603 /nfs/dbraw/zinc/14/06/03/790140603.db2.gz XHDBAFKBLPDJND-CPSHHHPTSA-N 0 0 339.391 2.104 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@]23C[C@H]2COC32CCC2)cc1F ZINC000915365211 795941827 /nfs/dbraw/zinc/94/18/27/795941827.db2.gz BSRSGPUCTTVQAU-SCLBCKFNSA-N 0 0 333.407 2.403 10 10 EECERN C[C@@]1(C(=O)NCc2c(O)cccc2F)Cc2ccccc2C(=O)O1 ZINC001178413046 799467893 /nfs/dbraw/zinc/46/78/93/799467893.db2.gz LOKSNPPNSHZCTE-SFHVURJKSA-N 0 0 329.327 2.319 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC=C[C@H]2CO)CCCC1 ZINC000922281982 800253126 /nfs/dbraw/zinc/25/31/26/800253126.db2.gz BLNJVCQODKXSTF-AWEZNQCLSA-N 0 0 340.423 2.288 10 10 EECERN COC(=O)c1cncnc1NC1CCN(c2ccc(OC)cc2)CC1 ZINC000804413304 810845651 /nfs/dbraw/zinc/84/56/51/810845651.db2.gz NRYTXATXOJHTFG-UHFFFAOYSA-N 0 0 342.399 2.353 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(OC)cc2)c1 ZINC001130770492 812015938 /nfs/dbraw/zinc/01/59/38/812015938.db2.gz BIYZHAWZNNCSHN-WTKPLQERSA-N 0 0 325.368 2.126 10 10 EECERN CC(=O)C(=O)COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000808511188 812682824 /nfs/dbraw/zinc/68/28/24/812682824.db2.gz WGEXTPYQULQXHJ-UHFFFAOYSA-N 0 0 334.309 2.033 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(Cc2ccsc2)CC1 ZINC001440713008 1093958732 /nfs/dbraw/zinc/95/87/32/1093958732.db2.gz KXRIPXLJTUUWSJ-UHFFFAOYSA-N 0 0 332.425 2.046 10 10 EECERN O=C(NCc1cccc(Br)c1O)C1=C[S@](=O)CCC1 ZINC001448958241 1093968114 /nfs/dbraw/zinc/96/81/14/1093968114.db2.gz IIQGSIRSMYPZMB-LJQANCHMSA-N 0 0 344.230 2.197 10 10 EECERN CCNC(=O)c1ccc(C)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001441490152 1095167496 /nfs/dbraw/zinc/16/74/96/1095167496.db2.gz SCECMTLDBQFSPW-UHFFFAOYSA-N 0 0 328.368 2.337 10 10 EECERN C[C@H]1C(=O)Nc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001453264422 1106073271 /nfs/dbraw/zinc/07/32/71/1106073271.db2.gz DWFBSSJIINZCPC-CRALRDPISA-N 0 0 338.363 2.480 10 10 EECERN Cc1cc(C(=O)Nn2ccc(=O)[nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC001454274491 1106992953 /nfs/dbraw/zinc/99/29/53/1106992953.db2.gz DXVIWCGDMHLIPC-UHFFFAOYSA-N 0 0 338.367 2.049 10 10 EECERN Cc1nn(C)c(=O)c(C(=O)NCc2c(O)ccc3ccccc32)c1C ZINC001456308602 1109138363 /nfs/dbraw/zinc/13/83/63/1109138363.db2.gz JPODQMXUCSWVCM-UHFFFAOYSA-N 0 0 337.379 2.186 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC001456310558 1109139054 /nfs/dbraw/zinc/13/90/54/1109139054.db2.gz CNPIDMFLLTWOPC-BLLLJJGKSA-N 0 0 327.336 2.018 10 10 EECERN O=C(Nc1nnc2n1CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC001466317646 1110433439 /nfs/dbraw/zinc/43/34/39/1110433439.db2.gz MTFPBLMSVCXILL-UHFFFAOYSA-N 0 0 330.369 2.493 10 10 EECERN Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1cc(C)ccc1O ZINC001470255434 1110503971 /nfs/dbraw/zinc/50/39/71/1110503971.db2.gz VMDMZFHMEMWGOT-BOPFTXTBSA-N 0 0 349.394 2.310 10 10 EECERN CCCn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001500880465 1113121257 /nfs/dbraw/zinc/12/12/57/1113121257.db2.gz MRJYXOXOLCOYHI-UHFFFAOYSA-N 0 0 329.448 2.470 10 10 EECERN COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)c(F)c1 ZINC001546313292 1115752257 /nfs/dbraw/zinc/75/22/57/1115752257.db2.gz YZJDRINUGIIGKQ-CQSZACIVSA-N 0 0 337.322 2.422 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCn2ncnc21 ZINC001545639273 1124200397 /nfs/dbraw/zinc/20/03/97/1124200397.db2.gz IRONFDNLLKEIDI-AWEZNQCLSA-N 0 0 326.400 2.056 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC2(C1)CCOCC2 ZINC000366161818 238244742 /nfs/dbraw/zinc/24/47/42/238244742.db2.gz GCFMZZKZHVFRJD-UHFFFAOYSA-N 0 0 327.428 2.385 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000529771577 317640773 /nfs/dbraw/zinc/64/07/73/317640773.db2.gz UJJOPUXJCPOOFJ-CABCVRRESA-N 0 0 334.441 2.425 10 10 EECERN CCn1c(C)nnc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232996 463672952 /nfs/dbraw/zinc/67/29/52/463672952.db2.gz BYCLTQKFZDITIQ-INIZCTEOSA-N 0 0 330.432 2.493 10 10 EECERN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000125198747 463514555 /nfs/dbraw/zinc/51/45/55/463514555.db2.gz HOHHXVAOTGBXMA-MLGOLLRUSA-N 0 0 334.391 2.225 10 10 EECERN CCOC(=O)CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000194492127 463872824 /nfs/dbraw/zinc/87/28/24/463872824.db2.gz UZNLDBZXCJSXKK-LBPRGKRZSA-N 0 0 328.359 2.410 10 10 EECERN O=C([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)N1CCOCC1 ZINC000179659908 464169387 /nfs/dbraw/zinc/16/93/87/464169387.db2.gz OTWRNEYRUULOCV-AWEZNQCLSA-N 0 0 338.835 2.116 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(=O)OC)on1 ZINC000280774325 464252470 /nfs/dbraw/zinc/25/24/70/464252470.db2.gz CBXNJJLTOKKRHE-UHFFFAOYSA-N 0 0 331.372 2.190 10 10 EECERN Cc1nc(C[C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)no1 ZINC000181038884 464436280 /nfs/dbraw/zinc/43/62/80/464436280.db2.gz RRLYSQIEXMTMKK-DYLGSBMWSA-N 0 0 343.383 2.284 10 10 EECERN C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273410953 464715058 /nfs/dbraw/zinc/71/50/58/464715058.db2.gz PNQHZPUHHVFBJD-OLZOCXBDSA-N 0 0 343.387 2.410 10 10 EECERN COc1cc(N2CCN(C(=O)[C@@H]3CC3(C)C)CC2)cc(OC)c1OC ZINC000273916488 464728249 /nfs/dbraw/zinc/72/82/49/464728249.db2.gz IJHUVOFLQQYHED-AWEZNQCLSA-N 0 0 348.443 2.407 10 10 EECERN COC[C@@](C)(CCO)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000182841824 464739920 /nfs/dbraw/zinc/73/99/20/464739920.db2.gz UULXNJOGSOGRPV-GOSISDBHSA-N 0 0 331.416 2.006 10 10 EECERN C[C@H]1C[C@@H](S(=O)(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000295235914 464756177 /nfs/dbraw/zinc/75/61/77/464756177.db2.gz UFTNVBUGZQGBDY-YOEHRIQHSA-N 0 0 338.473 2.274 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1cccnc1 ZINC000282369273 464791334 /nfs/dbraw/zinc/79/13/34/464791334.db2.gz BZGWUMMVRQEGMH-UHFFFAOYSA-N 0 0 341.411 2.346 10 10 EECERN CCc1nnc(C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)[nH]1 ZINC000191562925 464820073 /nfs/dbraw/zinc/82/00/73/464820073.db2.gz NCILDJRFQRPYEC-UHFFFAOYSA-N 0 0 330.388 2.107 10 10 EECERN Cc1noc(C)c1CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301622042 465998646 /nfs/dbraw/zinc/99/86/46/465998646.db2.gz NRYFXLZVSHNOEE-UHFFFAOYSA-N 0 0 332.316 2.167 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000372265959 466258657 /nfs/dbraw/zinc/25/86/57/466258657.db2.gz CUDNDYLNOAYCPL-SEJWUHKESA-N 0 0 332.356 2.396 10 10 EECERN O=C(c1cccs1)N1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193065793 534758969 /nfs/dbraw/zinc/75/89/69/534758969.db2.gz KVCBYZQUBFAQLP-UHFFFAOYSA-N 0 0 346.408 2.148 10 10 EECERN CC(C)C[C@H]1C(=O)N(Cc2ccc(N3CCOCC3)cc2)C(=O)N1C ZINC000291936449 528575108 /nfs/dbraw/zinc/57/51/08/528575108.db2.gz CMSFDTZBTKERRC-KRWDZBQOSA-N 0 0 345.443 2.332 10 10 EECERN C=CC(=O)NCCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000773265564 577328396 /nfs/dbraw/zinc/32/83/96/577328396.db2.gz TVZOOURNZKEKLW-UHFFFAOYSA-N 0 0 339.439 2.445 10 10 EECERN CN1CCCc2cc(CNC(=O)[C@H]3CCCC34OCCO4)ccc21 ZINC000773877973 577370874 /nfs/dbraw/zinc/37/08/74/577370874.db2.gz FRARSEWFCCEUIF-MRXNPFEDSA-N 0 0 330.428 2.228 10 10 EECERN COc1cccc(CNc2nc3ccccc3c(NCCO)n2)c1O ZINC000774524265 577402150 /nfs/dbraw/zinc/40/21/50/577402150.db2.gz KTTMFBOFDWTSOS-UHFFFAOYSA-N 0 0 340.383 2.360 10 10 EECERN COc1c([O-])c(C[NH2+][C@H](C)Cc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000775028565 577426975 /nfs/dbraw/zinc/42/69/75/577426975.db2.gz DIQSGBXCRJGMBO-SNVBAGLBSA-N 0 0 348.403 2.380 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CCSC[C@@H]3CCO)ccc21 ZINC000775427373 577437123 /nfs/dbraw/zinc/43/71/23/577437123.db2.gz RLVCAJWGPUYPJI-INIZCTEOSA-N 0 0 349.500 2.078 10 10 EECERN COCc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)co1 ZINC000775888066 577447953 /nfs/dbraw/zinc/44/79/53/577447953.db2.gz SICRUOVBFWNFNU-CQSZACIVSA-N 0 0 346.383 2.348 10 10 EECERN COc1ccc2c(c1)CCCCN2CC(=O)N1CCOC[C@H]1C1CC1 ZINC000766268965 577516200 /nfs/dbraw/zinc/51/62/00/577516200.db2.gz HXGQGYWDUJCVOJ-IBGZPJMESA-N 0 0 344.455 2.475 10 10 EECERN COc1cccc(CNC(=O)c2cc3c(cc2OC)OCO3)c1O ZINC000759957326 577654756 /nfs/dbraw/zinc/65/47/56/577654756.db2.gz BLZRWJFYUYYMSK-UHFFFAOYSA-N 0 0 331.324 2.068 10 10 EECERN CCOC[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762265710 577698378 /nfs/dbraw/zinc/69/83/78/577698378.db2.gz WSHOXPPCJCXSOT-JTQLQIEISA-N 0 0 326.780 2.235 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ncc2ccccc21 ZINC000753645827 577791219 /nfs/dbraw/zinc/79/12/19/577791219.db2.gz YLQYXRBBOOBWOO-LBPRGKRZSA-N 0 0 325.368 2.195 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2N(C)C)c1 ZINC000756413162 577843685 /nfs/dbraw/zinc/84/36/85/577843685.db2.gz XYMJMNURIJXSPG-LBPRGKRZSA-N 0 0 329.400 2.491 10 10 EECERN CCc1noc(C)c1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000160161713 674585622 /nfs/dbraw/zinc/58/56/22/674585622.db2.gz PNRSVYFRAZBJPE-UHFFFAOYSA-N 0 0 344.415 2.209 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cnn2ncccc12 ZINC000804733651 675609142 /nfs/dbraw/zinc/60/91/42/675609142.db2.gz WVVJJDOMFLUKFN-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN CN(C)c1ccc(/C=C\CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1 ZINC000895199209 684280474 /nfs/dbraw/zinc/28/04/74/684280474.db2.gz GZMUAWOESHXCHD-WVRJYTFGSA-N 0 0 349.500 2.484 10 10 EECERN COC(=O)[C@H](C[C@H]1CCCO1)NC/C=C/c1ccc(N(C)C)cc1 ZINC000895864421 684747480 /nfs/dbraw/zinc/74/74/80/684747480.db2.gz OEPWMOFCFAELGY-RYECEPHISA-N 0 0 332.444 2.466 10 10 EECERN CC(=O)NC[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895941389 684783509 /nfs/dbraw/zinc/78/35/09/684783509.db2.gz BHWRNNLNRZHSQO-NSHDSACASA-N 0 0 348.424 2.301 10 10 EECERN COC(=O)[C@@H](CC(F)F)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897254647 686336450 /nfs/dbraw/zinc/33/64/50/686336450.db2.gz USZPFLZAIXSQBI-SSDOTTSWSA-N 0 0 345.323 2.239 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H](C)C3CCOCC3)CC2)cc1 ZINC000179165721 690920900 /nfs/dbraw/zinc/92/09/00/690920900.db2.gz VZTTXWBGEMFXRE-OAHLLOKOSA-N 0 0 332.444 2.407 10 10 EECERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)S1=O ZINC000897549366 691581174 /nfs/dbraw/zinc/58/11/74/691581174.db2.gz KODZSJGJUGDXNA-RKDXNWHRSA-N 0 0 339.438 2.294 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)[C@H]1CNC(=O)c2ccccc21 ZINC001128703985 1194978167 /nfs/dbraw/zinc/97/81/67/1194978167.db2.gz ALDNRNFYIZLHTF-JTQLQIEISA-N 0 0 342.742 2.342 10 10 EECERN CP(C)(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC001137464589 1248640658 /nfs/dbraw/zinc/64/06/58/1248640658.db2.gz HAJAIMLGBBDXHY-UHFFFAOYSA-N 0 0 333.324 2.318 10 10 EECERN CCN(CC)c1ccc(CN(C)S(=O)(=O)[C@H]2CCO[C@H]2C)cc1 ZINC000785478524 1196769139 /nfs/dbraw/zinc/76/91/39/1196769139.db2.gz NRZZZUDEUPVTNC-YOEHRIQHSA-N 0 0 340.489 2.472 10 10 EECERN COC(=O)C(C)(C)CSCC(=O)NCc1ccc(N(C)C)cc1 ZINC000865374764 1198189667 /nfs/dbraw/zinc/18/96/67/1198189667.db2.gz YMSYLXRUKWUQGW-UHFFFAOYSA-N 0 0 338.473 2.301 10 10 EECERN COC(=O)c1cc(OCC(=O)N2CCC(C)CC2)ccc1N(C)C ZINC000865396389 1198196086 /nfs/dbraw/zinc/19/60/86/1198196086.db2.gz RBTWRJUCNIKKKJ-UHFFFAOYSA-N 0 0 334.416 2.177 10 10 EECERN Cc1cc(C(=O)O[C@H]2C[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccccn1 ZINC000873634959 1198663468 /nfs/dbraw/zinc/66/34/68/1198663468.db2.gz KGXVCWMTGHCNMO-OKILXGFUSA-N 0 0 348.424 2.222 10 10 EECERN CCOC(=O)c1cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)on1 ZINC000825736835 1198888056 /nfs/dbraw/zinc/88/80/56/1198888056.db2.gz LCHOWGZJDHPNKT-SECBINFHSA-N 0 0 334.328 2.057 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cc(C)cc(=O)[nH]3)CC2)cc1 ZINC000814211196 1199355452 /nfs/dbraw/zinc/35/54/52/1199355452.db2.gz SNFTWXXKIKZBEQ-UHFFFAOYSA-N 0 0 327.384 2.067 10 10 EECERN COCCc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)n(C)n1 ZINC000127540169 1200888071 /nfs/dbraw/zinc/88/80/71/1200888071.db2.gz WPSPWJGYXGZMJM-UHFFFAOYSA-N 0 0 349.410 2.136 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCO[C@H](C(F)F)CC2)cc1OC ZINC000866063766 1201419651 /nfs/dbraw/zinc/41/96/51/1201419651.db2.gz BEYRWDSMAKFAMO-NSHDSACASA-N 0 0 332.303 2.472 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(CC(C)C)CCNC2=O)c1 ZINC000866764457 1201600415 /nfs/dbraw/zinc/60/04/15/1201600415.db2.gz MRAMZEVWDURNNH-KPZWWZAWSA-N 0 0 334.416 2.130 10 10 EECERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)O1 ZINC000868898769 1201901276 /nfs/dbraw/zinc/90/12/76/1201901276.db2.gz BRJVGPKYDIFOJC-QWQRMKEZSA-N 0 0 347.459 2.013 10 10 EECERN CCO[C@H](C(=O)NCc1ccc2cccnc2c1O)C1CCOCC1 ZINC000868938470 1201909133 /nfs/dbraw/zinc/90/91/33/1201909133.db2.gz UAJMRISYDMHIMW-SFHVURJKSA-N 0 0 344.411 2.388 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)c1ccncc1 ZINC000868966483 1201913768 /nfs/dbraw/zinc/91/37/68/1201913768.db2.gz PXVNGJNDAATIMC-CQSZACIVSA-N 0 0 342.395 2.483 10 10 EECERN Cn1cc(C(F)F)c(CNC(=O)NCc2c(O)cccc2F)n1 ZINC000923920200 1205926569 /nfs/dbraw/zinc/92/65/69/1205926569.db2.gz LWRWUKLNOPEELD-UHFFFAOYSA-N 0 0 328.294 2.202 10 10 EECERN C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925791611 1206154626 /nfs/dbraw/zinc/15/46/26/1206154626.db2.gz MCWUROMFIKRGJO-CHWSQXEVSA-N 0 0 335.404 2.110 10 10 EECERN Nc1ccc(CCNC(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1 ZINC000926215356 1206204801 /nfs/dbraw/zinc/20/48/01/1206204801.db2.gz QRHGWAJUTTYVOI-YPMHNXCESA-N 0 0 331.338 2.078 10 10 EECERN COCCOC1CCC(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928708420 1206413674 /nfs/dbraw/zinc/41/36/74/1206413674.db2.gz LOPVTRDETQOXAR-UHFFFAOYSA-N 0 0 325.380 2.369 10 10 EECERN CCC(=O)c1ccc(OCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778924346 1208404213 /nfs/dbraw/zinc/40/42/13/1208404213.db2.gz CMLFKAGGKFCNFV-UHFFFAOYSA-N 0 0 329.352 2.386 10 10 EECERN CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000801736161 1236110738 /nfs/dbraw/zinc/11/07/38/1236110738.db2.gz XTPLDESBNCYGJT-LLVKDONJSA-N 0 0 327.222 2.302 10 10 EECERN O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1[O-])CC(F)(F)F ZINC000827047816 1249686085 /nfs/dbraw/zinc/68/60/85/1249686085.db2.gz JJDRZWQPNTZDJC-UHFFFAOYSA-N 0 0 331.743 2.112 10 10 EECERN Cc1nc([C@@H]2CCN(C(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000902861288 1238727065 /nfs/dbraw/zinc/72/70/65/1238727065.db2.gz RUYYGEMERBHMMA-CQSZACIVSA-N 0 0 329.404 2.143 10 10 EECERN O=C(/C=C\Cn1cncn1)N(Cc1ccco1)Cc1ccccc1O ZINC001137343384 1250237023 /nfs/dbraw/zinc/23/70/23/1250237023.db2.gz MYNAUWDFBVVWGB-BAQGIRSFSA-N 0 0 338.367 2.362 10 10 EECERN COc1ccc(N2CCN(C(=O)C3(C)COC(C)(C)OC3)CC2)cc1 ZINC001137387170 1247893475 /nfs/dbraw/zinc/89/34/75/1247893475.db2.gz YLJIJOMEUBKPEU-UHFFFAOYSA-N 0 0 348.443 2.133 10 10 EECERN CN(C)c1ccc(CN(C)S(=O)(=O)CCC[C@@H]2CCOC2)cc1 ZINC000826918494 1248123007 /nfs/dbraw/zinc/12/30/07/1248123007.db2.gz WXYLEHBGRIQEGH-MRXNPFEDSA-N 0 0 340.489 2.331 10 10 EECERN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2C)C1 ZINC000827537898 1248413597 /nfs/dbraw/zinc/41/35/97/1248413597.db2.gz PQJMLHWOSMVGML-QZEKMECESA-N 0 0 335.407 2.497 10 10 EECERN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCOCC2CCC2)c1 ZINC000827194225 1250658205 /nfs/dbraw/zinc/65/82/05/1250658205.db2.gz GPLZKJVDYMVALO-LBPRGKRZSA-N 0 0 343.445 2.198 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H](CCF)C2)cc1 ZINC000850602222 1277280279 /nfs/dbraw/zinc/28/02/79/1277280279.db2.gz RFUGEGFNHYHWQO-OAHLLOKOSA-N 0 0 349.450 2.309 10 10 EECERN COC[C@@H](CCNC(=O)c1csc(Cc2ccc(N)cc2)n1)OC ZINC000851640304 1277696704 /nfs/dbraw/zinc/69/67/04/1277696704.db2.gz SNSLSXPBJSBPSZ-CQSZACIVSA-N 0 0 349.456 2.097 10 10 EECERN COC(=O)C=Cc1ccc(N(C)Cc2c[nH]nc2C)c([N+](=O)[O-])c1 ZINC001186792684 1279229766 /nfs/dbraw/zinc/22/97/66/1279229766.db2.gz SBOVDEORKCBJOF-ALCCZGGFSA-N 0 0 330.344 2.449 10 10 EECERN CCCCOC(=O)CSCC(=O)NCc1ccc(N(C)C)cc1 ZINC001189891986 1280566222 /nfs/dbraw/zinc/56/62/22/1280566222.db2.gz IEBKCGSZINHMCP-UHFFFAOYSA-N 0 0 338.473 2.445 10 10 EECERN C[C@@H](NCc1nc2ncc(Br)cn2n1)c1ccccc1O ZINC001197004904 1284397621 /nfs/dbraw/zinc/39/76/21/1284397621.db2.gz WHZXJVKFMSAFTB-SECBINFHSA-N 0 0 348.204 2.443 10 10 EECERN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000852003740 1291949589 /nfs/dbraw/zinc/94/95/89/1291949589.db2.gz AUBPTSOFISTZEB-CVEARBPZSA-N 0 0 347.459 2.232 10 10 EECERN C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)O1 ZINC000852004630 1291949800 /nfs/dbraw/zinc/94/98/00/1291949800.db2.gz ITNWMDUYDPFYCQ-YJBOKZPZSA-N 0 0 347.459 2.280 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCS3)C2)cc1 ZINC000852198055 1292037580 /nfs/dbraw/zinc/03/75/80/1292037580.db2.gz VBZXVAFXVANDLD-BBRMVZONSA-N 0 0 335.473 2.469 10 10 EECERN COCCC1CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000853487170 1292395337 /nfs/dbraw/zinc/39/53/37/1292395337.db2.gz LIZFRSOHJKBBLI-HNNXBMFYSA-N 0 0 347.459 2.262 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@@H]3C3CC3)C2)cc1 ZINC000854298528 1292710027 /nfs/dbraw/zinc/71/00/27/1292710027.db2.gz DVBBXQYHAJYBSB-CRAIPNDOSA-N 0 0 345.443 2.094 10 10 EECERN CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCO1 ZINC000854298228 1292710303 /nfs/dbraw/zinc/71/03/03/1292710303.db2.gz YOKWFQUIUYEOHA-DOTOQJQBSA-N 0 0 347.459 2.484 10 10 EECERN CCC[C@H](CCO)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300071 1292711288 /nfs/dbraw/zinc/71/12/88/1292711288.db2.gz OZKYPJQZBYEVME-HZPDHXFCSA-N 0 0 349.475 2.372 10 10 EECERN CC[C@@](C)(CCO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300703 1292711530 /nfs/dbraw/zinc/71/15/30/1292711530.db2.gz YQFVYSUNVDSHHK-KSSFIOAISA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[C@H](O)C3)C2)cc1 ZINC000854300752 1292712062 /nfs/dbraw/zinc/71/20/62/1292712062.db2.gz ZQEWGVYBZPGXOV-ZOBUZTSGSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[C@@H](O)C3)C2)cc1 ZINC000854300751 1292712210 /nfs/dbraw/zinc/71/22/10/1292712210.db2.gz ZQEWGVYBZPGXOV-YQQAZPJKSA-N 0 0 347.459 2.124 10 10 EECERN COC(=O)[C@@H](F)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854914535 1292990134 /nfs/dbraw/zinc/99/01/34/1292990134.db2.gz RSWLEGMCCOOZPT-INIZCTEOSA-N 0 0 332.375 2.264 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)n3cccn3)C2)cc1 ZINC000855222855 1293115195 /nfs/dbraw/zinc/11/51/95/1293115195.db2.gz BLEYEURCYZZCOP-GJZGRUSLSA-N 0 0 328.416 2.238 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ncc(C)cc3O)C2)cc1 ZINC000855225075 1293117699 /nfs/dbraw/zinc/11/76/99/1293117699.db2.gz IPWZYGGSGYXDDO-ZDUSSCGKSA-N 0 0 327.384 2.113 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(CO)c3)C2)cc1 ZINC000855226072 1293119023 /nfs/dbraw/zinc/11/90/23/1293119023.db2.gz PXHKSJQBPRQPDT-MRXNPFEDSA-N 0 0 326.396 2.196 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H]4CC(=O)[C@@H]3C4)C2)cc1 ZINC000855227108 1293119826 /nfs/dbraw/zinc/11/98/26/1293119826.db2.gz VSVCWNBCFOCPHF-CLROSIBMSA-N 0 0 328.412 2.005 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)nn(C)c3C)C2)cc1 ZINC000855230395 1293121258 /nfs/dbraw/zinc/12/12/58/1293121258.db2.gz VYUROXMKZONADD-CQSZACIVSA-N 0 0 328.416 2.054 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(N(C)C)nc3)C2)cc1 ZINC000855233480 1293121978 /nfs/dbraw/zinc/12/19/78/1293121978.db2.gz YYKHPDLKVBUUJB-HNNXBMFYSA-N 0 0 340.427 2.165 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(C)ccc2O)[C@@H]1n1cccn1 ZINC000858494808 1294133785 /nfs/dbraw/zinc/13/37/85/1294133785.db2.gz ODKWGCMQBLFUKD-OIISXLGYSA-N 0 0 344.415 2.115 10 10 EECERN Cc1cc(CNC(=O)N2CC(=O)N(C)C2)c(C)n1-c1ccccc1 ZINC000858906281 1294258059 /nfs/dbraw/zinc/25/80/59/1294258059.db2.gz TUSJVTLZYCOOMK-UHFFFAOYSA-N 0 0 326.400 2.035 10 10 EECERN C[C@@H](NS(=O)(=O)[C@@H]1COC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000859114727 1294322937 /nfs/dbraw/zinc/32/29/37/1294322937.db2.gz LGOVQCSSCUFERU-DOMZBBRYSA-N 0 0 326.462 2.301 10 10 EECERN FCC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000862530363 1295869060 /nfs/dbraw/zinc/86/90/60/1295869060.db2.gz KZRDRZKZKABHMF-OAHLLOKOSA-N 0 0 326.387 2.223 10 10 EECERN CCCN(CCC)c1ccc(CN2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000862535670 1295870750 /nfs/dbraw/zinc/87/07/50/1295870750.db2.gz VNYLESUBJOUHDO-SFHVURJKSA-N 0 0 333.476 2.389 10 10 EECERN Cc1cc(CC(=O)NC[C@@H](O)[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000862654108 1295917868 /nfs/dbraw/zinc/91/78/68/1295917868.db2.gz MAGPUDUYYLFQEU-MOPGFXCFSA-N 0 0 342.439 2.293 10 10 EECERN O=C(NCCCCF)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838598201 1315179575 /nfs/dbraw/zinc/17/95/75/1315179575.db2.gz ISKJOQTXMRDFGM-UHFFFAOYSA-N 0 0 345.365 2.350 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000840346102 1315354070 /nfs/dbraw/zinc/35/40/70/1315354070.db2.gz ZNRJPOUTKZOAFS-CVYKPKQLSA-N 0 0 332.356 2.396 10 10 EECERN COC(=O)c1ccnc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000841120714 1315480912 /nfs/dbraw/zinc/48/09/12/1315480912.db2.gz GWHAVPLPBDZDOV-UHFFFAOYSA-N 0 0 327.384 2.173 10 10 EECERN COC[C@]1(C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000842875561 1315789264 /nfs/dbraw/zinc/78/92/64/1315789264.db2.gz RTQKLHLUNOHLLF-DNVCBOLYSA-N 0 0 349.427 2.118 10 10 EECERN C/C=C\C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OCC ZINC001153950406 1316922901 /nfs/dbraw/zinc/92/29/01/1316922901.db2.gz MCPQJLDQFPTFBB-ATWCDCPISA-N 0 0 332.360 2.477 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1cnc2n[nH]cc2c1 ZINC001156790147 1318211075 /nfs/dbraw/zinc/21/10/75/1318211075.db2.gz DPUMZGDGGWWEHO-UHFFFAOYSA-N 0 0 347.172 2.356 10 10 EECERN CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2cccc(O)c2O)n1 ZINC001261752106 1322171675 /nfs/dbraw/zinc/17/16/75/1322171675.db2.gz SISGTQSMLPBXNG-GFCCVEGCSA-N 0 0 347.371 2.451 10 10 EECERN CC(=O)N(C)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC001206639216 1323552592 /nfs/dbraw/zinc/55/25/92/1323552592.db2.gz ZPQOYYHFSBHDRQ-UHFFFAOYSA-N 0 0 326.356 2.318 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\[C@@H]1CCOC1 ZINC001290323723 1328175471 /nfs/dbraw/zinc/17/54/71/1328175471.db2.gz FYZPZDPIJCQOKY-DANOYGIBSA-N 0 0 330.428 2.074 10 10 EECERN CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C ZINC001297429723 1329971180 /nfs/dbraw/zinc/97/11/80/1329971180.db2.gz LXEOSUBQULRUQC-SCDSUCTJSA-N 0 0 345.403 2.130 10 10 EECERN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1noc(C(F)F)n1 ZINC001299107130 1330162322 /nfs/dbraw/zinc/16/23/22/1330162322.db2.gz TZFKNWOENNTCIO-OHCKJTPYSA-N 0 0 325.271 2.309 10 10 EECERN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001299984642 1330169688 /nfs/dbraw/zinc/16/96/88/1330169688.db2.gz JGJLEAWCGAFSMX-WCABBAIRSA-N 0 0 348.424 2.427 10 10 EECERN CC(=O)N(C)c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001300959424 1331285275 /nfs/dbraw/zinc/28/52/75/1331285275.db2.gz RAJIKASCFUOHFJ-UXBLZVDNSA-N 0 0 340.379 2.410 10 10 EECERN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2cccc(O)c2O)cn1 ZINC001303194810 1331348116 /nfs/dbraw/zinc/34/81/16/1331348116.db2.gz KEYNBEMDQDEZOV-UHFFFAOYSA-N 0 0 344.367 2.378 10 10 EECERN Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2c(O)cccc2F)[nH]n1 ZINC001303879351 1331368835 /nfs/dbraw/zinc/36/88/35/1331368835.db2.gz ZAAKINZPLBTXGW-UHFFFAOYSA-N 0 0 343.362 2.202 10 10 EECERN CCc1nnc(N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001306174655 1331461151 /nfs/dbraw/zinc/46/11/51/1331461151.db2.gz WXPSUGAZDLHQIN-UHFFFAOYSA-N 0 0 341.459 2.326 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001325934502 1333999497 /nfs/dbraw/zinc/99/94/97/1333999497.db2.gz FQCSKNKARPVHQM-ZSGPHXLJSA-N 0 0 343.471 2.023 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)COCC ZINC001329775234 1334712388 /nfs/dbraw/zinc/71/23/88/1334712388.db2.gz RKNSHGDELXUVTK-AWEZNQCLSA-N 0 0 336.432 2.062 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@]12C[C@H]1CCC2)c1ccc(N(C)C)cc1 ZINC001332981675 1335941212 /nfs/dbraw/zinc/94/12/12/1335941212.db2.gz QNERBZKXLRUFMD-OHNRDTAOSA-N 0 0 329.444 2.236 10 10 EECERN C[C@H](NC(=O)C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1 ZINC001332982284 1335941350 /nfs/dbraw/zinc/94/13/50/1335941350.db2.gz UTUXQNAVGAPABB-KMANFZQXSA-N 0 0 343.471 2.482 10 10 EECERN Cc1cc(CCNC(=O)C(=O)N2CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001335035985 1336328705 /nfs/dbraw/zinc/32/87/05/1336328705.db2.gz HDSLBOKPBUXIMO-AWEZNQCLSA-N 0 0 339.439 2.374 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCC1(C)CCC1 ZINC001345332788 1337437743 /nfs/dbraw/zinc/43/77/43/1337437743.db2.gz UQZXRHFPLPOHAA-OAHLLOKOSA-N 0 0 345.487 2.415 10 10 EECERN CN(CCN1CCOC(C)(C)C1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001618625573 1352351833 /nfs/dbraw/zinc/35/18/33/1352351833.db2.gz MCDWQDVXCXDDSN-UHFFFAOYSA-N 0 0 347.419 2.032 10 10 EECERN CC(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC12CCCCC2 ZINC001466652753 1342093042 /nfs/dbraw/zinc/09/30/42/1342093042.db2.gz RHAUFSAAIJUKLN-UHFFFAOYSA-N 0 0 346.427 2.034 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(N2CCOCC2)c1 ZINC001542180711 1342328052 /nfs/dbraw/zinc/32/80/52/1342328052.db2.gz WKKXJBHTXNZLPT-UHFFFAOYSA-N 0 0 328.368 2.116 10 10 EECERN CC(=O)c1cccc(O[C@H](C)C(=O)NCc2c(O)cccc2O)c1 ZINC001597569975 1349928031 /nfs/dbraw/zinc/92/80/31/1349928031.db2.gz YVVLNWUHZFLPOC-GFCCVEGCSA-N 0 0 329.352 2.384 10 10 EECERN CC[C@@H](C(=O)NCc1c(O)cccc1O)N(C)C(=O)OC(C)(C)C ZINC001597574453 1349928124 /nfs/dbraw/zinc/92/81/24/1349928124.db2.gz LPVYIROHLLTDBC-LBPRGKRZSA-N 0 0 338.404 2.360 10 10 EECERN Cc1cnccc1OC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001626281156 1352459454 /nfs/dbraw/zinc/45/94/54/1352459454.db2.gz NEPGVJPTLGOCPP-UHFFFAOYSA-N 0 0 342.395 2.414 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc2c(c1)NC(=O)CS2 ZINC001626834184 1352474619 /nfs/dbraw/zinc/47/46/19/1352474619.db2.gz VVIHNCUVGOOFNE-UHFFFAOYSA-N 0 0 330.365 2.072 10 10 EECERN CC1(C)OC[C@H](/C=C\C(=O)NCc2ccc3cccnc3c2O)O1 ZINC001627073492 1352482501 /nfs/dbraw/zinc/48/25/01/1352482501.db2.gz PMIKNKGSGHHYAZ-DANTVBBOSA-N 0 0 328.368 2.264 10 10 EECERN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc2cccnc2c1O ZINC001630533206 1352570377 /nfs/dbraw/zinc/57/03/77/1352570377.db2.gz YKKMOBVIXJMNLX-UHFFFAOYSA-N 0 0 338.323 2.361 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001631159876 1352578320 /nfs/dbraw/zinc/57/83/20/1352578320.db2.gz YXLBRDPJKBESHP-UHFFFAOYSA-N 0 0 332.360 2.244 10 10 EECERN COc1cccc(CNC(=O)c2c(OC)ccc(F)c2OC)c1O ZINC001631540197 1352585848 /nfs/dbraw/zinc/58/58/48/1352585848.db2.gz NYHMCMMZYCXSLR-UHFFFAOYSA-N 0 0 335.331 2.487 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(NC(C)=O)cn2)c1 ZINC001631542099 1352586026 /nfs/dbraw/zinc/58/60/26/1352586026.db2.gz GPGQDRXAOCYIQX-SNVBAGLBSA-N 0 0 329.356 2.245 10 10 EECERN O=C(CCc1nc(-c2cccs2)no1)NCc1cccc(O)c1O ZINC001633509719 1352611207 /nfs/dbraw/zinc/61/12/07/1352611207.db2.gz VHAZYVIODPIVCQ-UHFFFAOYSA-N 0 0 345.380 2.458 10 10 EECERN COC(OC)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001634993716 1352638150 /nfs/dbraw/zinc/63/81/50/1352638150.db2.gz WWPQQGZLFFDRTK-QGZVFWFLSA-N 0 0 331.368 2.117 10 10 EECERN CC(=O)N[C@@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(C)cc1 ZINC001637122595 1352672210 /nfs/dbraw/zinc/67/22/10/1352672210.db2.gz JFZCDXLAAWAZGZ-KRWDZBQOSA-N 0 0 342.395 2.290 10 10 EECERN COc1cccc2c1OCC(C(=O)NCc1cc(O)ccc1O)=C2 ZINC001644752429 1352768321 /nfs/dbraw/zinc/76/83/21/1352768321.db2.gz FIEXLVRPOADDAQ-UHFFFAOYSA-N 0 0 327.336 2.199 10 10 EECERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1cc(O)ccc1O ZINC001651225723 1354044929 /nfs/dbraw/zinc/04/49/29/1354044929.db2.gz WFKYGHSMBWEHSB-UHFFFAOYSA-N 0 0 341.323 2.346 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCO[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000588619775 761233091 /nfs/dbraw/zinc/23/30/91/761233091.db2.gz LFVAXSPDXHRVFC-DXTPNHAXSA-N 0 0 342.298 2.251 10 10 EECERN COc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000918745432 769365338 /nfs/dbraw/zinc/36/53/38/769365338.db2.gz KNHRKZQQCUAQSU-DGCLKSJQSA-N 0 0 348.321 2.310 10 10 EECERN CN1CCCc2cc(CNC(=O)c3ccc4c(n3)OCCO4)ccc21 ZINC000846842673 790669397 /nfs/dbraw/zinc/66/93/97/790669397.db2.gz IFSBNRUOFMNURT-UHFFFAOYSA-N 0 0 339.395 2.165 10 10 EECERN CCS(=O)(=O)N1CCN(Cc2cc(Cl)cc(C)c2O)[C@H](C)C1 ZINC000809724953 783338015 /nfs/dbraw/zinc/33/80/15/783338015.db2.gz GOGBFXMDJXUSDY-GFCCVEGCSA-N 0 0 346.880 2.210 10 10 EECERN COc1ccc(CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1OC ZINC001135595292 784043131 /nfs/dbraw/zinc/04/31/31/784043131.db2.gz QBVRYPIXHNMZCP-UHFFFAOYSA-N 0 0 331.368 2.316 10 10 EECERN Cc1cc(CNC(=O)Cc2nnc(N)s2)c(C)n1-c1ccccc1 ZINC001170859968 784683311 /nfs/dbraw/zinc/68/33/11/784683311.db2.gz ZSXKVPMRZXBLSD-UHFFFAOYSA-N 0 0 341.440 2.387 10 10 EECERN COc1ccc(CNC(=O)c2[nH]nc(C)c2C(F)(F)F)c(O)c1 ZINC000907925916 784969482 /nfs/dbraw/zinc/96/94/82/784969482.db2.gz KQGZPWUHOWQLMQ-UHFFFAOYSA-N 0 0 329.278 2.381 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](C)O[C@H](C)C3)C2)cc1 ZINC000818092615 785180492 /nfs/dbraw/zinc/18/04/92/785180492.db2.gz UGXUQMSHCMZHBT-BZUAXINKSA-N 0 0 347.459 2.340 10 10 EECERN O=C(/C=C/[C@H]1CCCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000819132476 785417535 /nfs/dbraw/zinc/41/75/35/785417535.db2.gz WQIBEQCTODSUKG-CSPWOOARSA-N 0 0 334.391 2.014 10 10 EECERN CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCOC1 ZINC000821032708 786566480 /nfs/dbraw/zinc/56/64/80/786566480.db2.gz FLBXVEVNUPKJKT-QAPCUYQASA-N 0 0 332.444 2.295 10 10 EECERN CNC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708076580 786711647 /nfs/dbraw/zinc/71/16/47/786711647.db2.gz XLDSSBWDQBSVMU-QMMMGPOBSA-N 0 0 347.640 2.376 10 10 EECERN Cn1ncc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000822819383 787404138 /nfs/dbraw/zinc/40/41/38/787404138.db2.gz RVOPIEWMOUOIMC-UHFFFAOYSA-N 0 0 327.432 2.054 10 10 EECERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000823661667 787860095 /nfs/dbraw/zinc/86/00/95/787860095.db2.gz BITOKGCSDCVKAS-RRQGHBQHSA-N 0 0 332.444 2.307 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N(C)Cc3cc[nH]n3)C2)cc1 ZINC000823725481 787911904 /nfs/dbraw/zinc/91/19/04/787911904.db2.gz CHZIXSWMZFFABI-AWEZNQCLSA-N 0 0 343.431 2.086 10 10 EECERN COc1nccnc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823730131 787914763 /nfs/dbraw/zinc/91/47/63/787914763.db2.gz QYBNAAGGUFGRDK-CQSZACIVSA-N 0 0 328.416 2.173 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000823829274 787944346 /nfs/dbraw/zinc/94/43/46/787944346.db2.gz QBBNUHIUAIIBEI-LBPRGKRZSA-N 0 0 337.330 2.014 10 10 EECERN COc1cccc(CNC(=O)NCC2(CC(N)=O)CCCCC2)c1O ZINC000823858173 787965112 /nfs/dbraw/zinc/96/51/12/787965112.db2.gz IRVDPJSMAGABAU-UHFFFAOYSA-N 0 0 349.431 2.026 10 10 EECERN COC1(C[C@H]2NC(=O)N(Cc3ccc(N(C)C)cc3C)C2=O)CCC1 ZINC000844716540 789319957 /nfs/dbraw/zinc/31/99/57/789319957.db2.gz JVSSOXWJNSSUEE-MRXNPFEDSA-N 0 0 345.443 2.441 10 10 EECERN CN1CCCc2cc(CNC(=O)NCCC3(CO)CCC3)ccc21 ZINC000844933216 789470030 /nfs/dbraw/zinc/47/00/30/789470030.db2.gz DBTBEPLLGCQMKN-UHFFFAOYSA-N 0 0 331.460 2.421 10 10 EECERN Cc1cnc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000845792766 789949377 /nfs/dbraw/zinc/94/93/77/789949377.db2.gz IYXPSUYQWCPWQF-UHFFFAOYSA-N 0 0 326.400 2.019 10 10 EECERN COc1ccc2c(c1)OC[C@H](NC(=O)NCc1c(O)cccc1F)C2 ZINC000921736946 795651878 /nfs/dbraw/zinc/65/18/78/795651878.db2.gz OHQGFAKFPXOZNL-GFCCVEGCSA-N 0 0 346.358 2.343 10 10 EECERN COCc1nc(CNC(=O)NCc2c(O)cccc2F)cs1 ZINC000922530714 801251416 /nfs/dbraw/zinc/25/14/16/801251416.db2.gz APWWCWFAGJQLDD-UHFFFAOYSA-N 0 0 325.365 2.134 10 10 EECERN Cc1cc(C(=O)CN2CCNC(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000103470623 804221624 /nfs/dbraw/zinc/22/16/24/804221624.db2.gz DIOAKLDMCDWJRL-UHFFFAOYSA-N 0 0 339.439 2.407 10 10 EECERN CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000790619332 808848135 /nfs/dbraw/zinc/84/81/35/808848135.db2.gz QKVDFUUHGHFZRS-DGCLKSJQSA-N 0 0 346.265 2.402 10 10 EECERN Cc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000807103240 812099158 /nfs/dbraw/zinc/09/91/58/812099158.db2.gz MGCMSCHLUORGMS-UHFFFAOYSA-N 0 0 343.427 2.237 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccccc1OCc1csc(C)n1 ZINC000808498586 812668508 /nfs/dbraw/zinc/66/85/08/812668508.db2.gz VZCCJYGSJTUFST-UHFFFAOYSA-N 0 0 333.365 2.345 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000808537368 812707812 /nfs/dbraw/zinc/70/78/12/812707812.db2.gz MXGXEYKWKUXOHG-UHFFFAOYSA-N 0 0 347.367 2.252 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001440664509 1093932555 /nfs/dbraw/zinc/93/25/55/1093932555.db2.gz UGMTWJZYXJNSSQ-UHFFFAOYSA-N 0 0 337.767 2.310 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(=O)c1cccn1C ZINC001440714995 1093958967 /nfs/dbraw/zinc/95/89/67/1093958967.db2.gz PDEFXYUNFUOLPW-UHFFFAOYSA-N 0 0 325.412 2.467 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCOC2CCOCC2)cc1 ZINC001465390181 1110416506 /nfs/dbraw/zinc/41/65/06/1110416506.db2.gz JSMPMZHBLCRBDK-UHFFFAOYSA-N 0 0 334.376 2.165 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2cnc3n2CCCC3)cc1 ZINC001467908573 1110465864 /nfs/dbraw/zinc/46/58/64/1110465864.db2.gz UWSAPMCLUDRLGO-UHFFFAOYSA-N 0 0 326.360 2.312 10 10 EECERN C[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C ZINC001471206867 1110518899 /nfs/dbraw/zinc/51/88/99/1110518899.db2.gz MCAJVSDOHVHXBE-NSHDSACASA-N 0 0 338.404 2.060 10 10 EECERN O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)NCc1c(O)cccc1F ZINC001471976393 1110537142 /nfs/dbraw/zinc/53/71/42/1110537142.db2.gz YFXNIOHWSPDOIX-LLVKDONJSA-N 0 0 332.306 2.413 10 10 EECERN CCn1ncc(CNCc2cc(Br)cc(OC)c2O)n1 ZINC000527736382 317253817 /nfs/dbraw/zinc/25/38/17/317253817.db2.gz RWCMKUKKXCBBDU-UHFFFAOYSA-N 0 0 341.209 2.065 10 10 EECERN Cc1cc(NCCNC(=O)c2cccc(O)c2O)nc(C(C)C)n1 ZINC000529844093 448981826 /nfs/dbraw/zinc/98/18/26/448981826.db2.gz AUDIOPFDSGGQKJ-UHFFFAOYSA-N 0 0 330.388 2.162 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCOC1(C)C ZINC000297726134 465267828 /nfs/dbraw/zinc/26/78/28/465267828.db2.gz IYIDSGGURDBBFB-QGZVFWFLSA-N 0 0 347.459 2.232 10 10 EECERN Cc1cc(/C=C/C(=O)N2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC000065902983 462838668 /nfs/dbraw/zinc/83/86/68/462838668.db2.gz YLBREMHCCYRZHN-CMDGGOBGSA-N 0 0 337.423 2.456 10 10 EECERN C[C@@H](NC(=O)NC1CCC(O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000068463020 463140571 /nfs/dbraw/zinc/14/05/71/463140571.db2.gz NZFAOUMSXFZTMY-MXWWQKGMSA-N 0 0 347.459 2.187 10 10 EECERN COc1cccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c1O ZINC000122616930 463280025 /nfs/dbraw/zinc/28/00/25/463280025.db2.gz VVJPAYAZSXHOCG-MRXNPFEDSA-N 0 0 331.416 2.115 10 10 EECERN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000125198936 463514153 /nfs/dbraw/zinc/51/41/53/463514153.db2.gz HOHHXVAOTGBXMA-WBMJQRKESA-N 0 0 334.391 2.225 10 10 EECERN COc1cccc(CNC(=O)N[C@@H]2CCCc3nn(C)cc32)c1O ZINC000283066720 463752642 /nfs/dbraw/zinc/75/26/42/463752642.db2.gz XBJDUNQIGIAFMX-CYBMUJFWSA-N 0 0 330.388 2.011 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCC3(CC3)CC2)c1 ZINC000277703274 463925487 /nfs/dbraw/zinc/92/54/87/463925487.db2.gz WLKVCNRIHNKCSF-UHFFFAOYSA-N 0 0 338.429 2.216 10 10 EECERN CO[C@H](C)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000290901338 464136789 /nfs/dbraw/zinc/13/67/89/464136789.db2.gz HWQUCKMDBLVHFH-HUUCEWRRSA-N 0 0 335.448 2.088 10 10 EECERN Oc1cc2c(cc1CN1CCOC[C@H]1C[C@@H](O)c1ccco1)OCO2 ZINC000271238386 464289600 /nfs/dbraw/zinc/28/96/00/464289600.db2.gz BNHNOPGFADJSFK-UKRRQHHQSA-N 0 0 347.367 2.038 10 10 EECERN CO[C@H]1COCC[C@@H]1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000294810425 464612142 /nfs/dbraw/zinc/61/21/42/464612142.db2.gz CNDQMCJFGNHAHH-KDOFPFPSSA-N 0 0 333.428 2.329 10 10 EECERN COc1cc(O)c(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc1OC ZINC000372391160 466347863 /nfs/dbraw/zinc/34/78/63/466347863.db2.gz DWJNNXCRNFZZPO-IIAWOOMASA-N 0 0 337.416 2.178 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCc2[nH]cnc2C1 ZINC000367907140 466554377 /nfs/dbraw/zinc/55/43/77/466554377.db2.gz OSUHNGAQBJOYLK-HNNXBMFYSA-N 0 0 337.427 2.143 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CC4(C3)CCOCC4)ccc21 ZINC000368297083 466594090 /nfs/dbraw/zinc/59/40/90/466594090.db2.gz TXRLBQYZGMYURP-UHFFFAOYSA-N 0 0 329.444 2.391 10 10 EECERN O=C(c1ccnc2c1CC(=O)N2)N1CCN(C2CC2)c2ccccc21 ZINC000613711353 469771362 /nfs/dbraw/zinc/77/13/62/469771362.db2.gz YDSYPOVAEBMTAH-UHFFFAOYSA-N 0 0 334.379 2.205 10 10 EECERN CC(C)C[C@]1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCNC1=O ZINC000631559885 470172356 /nfs/dbraw/zinc/17/23/56/470172356.db2.gz LUQYEZWWVJWLPJ-LJQANCHMSA-N 0 0 345.443 2.030 10 10 EECERN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC000669209256 471420752 /nfs/dbraw/zinc/42/07/52/471420752.db2.gz DPILARLYBXFWND-GFCCVEGCSA-N 0 0 336.395 2.309 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-n3cncn3)cc2)c1 ZINC000728984735 576569575 /nfs/dbraw/zinc/56/95/75/576569575.db2.gz SVMDRIULDIEIAS-GFCCVEGCSA-N 0 0 338.367 2.473 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2)c1 ZINC000729535201 576663346 /nfs/dbraw/zinc/66/33/46/576663346.db2.gz MTPXSYUBIXCJTN-OLZOCXBDSA-N 0 0 342.395 2.397 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000776144150 577453086 /nfs/dbraw/zinc/45/30/86/577453086.db2.gz NVAMYRHFRVPBDL-AEGPPILISA-N 0 0 332.448 2.157 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC(C(F)F)CC3)cc2N1 ZINC000765609491 577503923 /nfs/dbraw/zinc/50/39/23/577503923.db2.gz OYBMCZGYTNFKFJ-UHFFFAOYSA-N 0 0 327.287 2.407 10 10 EECERN Cc1cc(C(=O)CN(C)[C@H]2CCNC2=O)c(C)n1-c1ccc(F)cc1 ZINC000759439238 577642871 /nfs/dbraw/zinc/64/28/71/577642871.db2.gz XAUVGBSCYMLZHE-KRWDZBQOSA-N 0 0 343.402 2.236 10 10 EECERN CC(=O)N(C)c1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000761648665 577687156 /nfs/dbraw/zinc/68/71/56/577687156.db2.gz AXFUASXTQKAEBU-UHFFFAOYSA-N 0 0 343.383 2.445 10 10 EECERN CC(C)(C)c1cc(O)c(O)c(CN2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000763316403 577718972 /nfs/dbraw/zinc/71/89/72/577718972.db2.gz YPGZRUVFZZGFSL-CQSZACIVSA-N 0 0 334.416 2.422 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C/c2cn(C)nc2C)c2ccccc21 ZINC000755410197 577824868 /nfs/dbraw/zinc/82/48/68/577824868.db2.gz KYMWMICYTLBLHV-OQLLNIDSSA-N 0 0 325.368 2.179 10 10 EECERN Cc1cc(CCNC(=O)CN2CCCC2=O)c(C)n1-c1ccccc1 ZINC000746426813 577927675 /nfs/dbraw/zinc/92/76/75/577927675.db2.gz QUSMSVYIRMYUNJ-UHFFFAOYSA-N 0 0 339.439 2.375 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H]([C@H]4CCOC4)C3)cc2N1 ZINC000747844945 577951265 /nfs/dbraw/zinc/95/12/65/577951265.db2.gz NEWSSVDKBMJZSF-NEPJUHHUSA-N 0 0 347.371 2.179 10 10 EECERN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000748346955 577959757 /nfs/dbraw/zinc/95/97/57/577959757.db2.gz QVTOEJUJPQTRJM-OAHLLOKOSA-N 0 0 344.436 2.304 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](O)C1CCOCC1 ZINC000735876578 578171331 /nfs/dbraw/zinc/17/13/31/578171331.db2.gz ISCKPAGZAUTQFW-LJQANCHMSA-N 0 0 346.471 2.423 10 10 EECERN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccccc1 ZINC000804736553 675611000 /nfs/dbraw/zinc/61/10/00/675611000.db2.gz UYYGXYDMDYYYSX-UHFFFAOYSA-N 0 0 349.184 2.410 10 10 EECERN COC(=O)[C@H](NCc1cc(C)cc(OC)c1O)c1cccc(O)c1 ZINC000894542547 682962437 /nfs/dbraw/zinc/96/24/37/682962437.db2.gz IRVVRTVUEULQRR-MRXNPFEDSA-N 0 0 331.368 2.419 10 10 EECERN CC1(C)CC(=O)NCCN1Cc1c(O)cccc1Br ZINC000895399555 684588452 /nfs/dbraw/zinc/58/84/52/684588452.db2.gz PVYHVSKLFFMMIP-UHFFFAOYSA-N 0 0 327.222 2.255 10 10 EECERN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)NC(C)(C)C ZINC000895874352 684753177 /nfs/dbraw/zinc/75/31/77/684753177.db2.gz NEYGUXYKIZPVIZ-QMMMGPOBSA-N 0 0 336.413 2.346 10 10 EECERN Cc1cc(C(=O)NCCCN2CCCC2=O)c(C)n1-c1ccccn1 ZINC000125024741 686721967 /nfs/dbraw/zinc/72/19/67/686721967.db2.gz AVENUKRXHOKWKS-UHFFFAOYSA-N 0 0 340.427 2.231 10 10 EECERN Cc1cnn(C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C(=O)[O-])c1 ZINC000904005291 694266490 /nfs/dbraw/zinc/26/64/90/694266490.db2.gz KUXKJGHSJGDVAU-BDUNBXCCSA-N 0 0 328.416 2.014 10 10 EECERN C[C@@H]1c2nncn2CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897549964 691585085 /nfs/dbraw/zinc/58/50/85/691585085.db2.gz WOIDAMKWZSUUJI-MRVPVSSYSA-N 0 0 330.369 2.121 10 10 EECERN C[C@H](NC(=O)CCSc1ncnc2[nH]cnc21)c1ccccc1O ZINC001648894302 1176754557 /nfs/dbraw/zinc/75/45/57/1176754557.db2.gz KQTYAGRUIPKBAN-JTQLQIEISA-N 0 0 343.412 2.418 10 10 EECERN COCCn1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC000864863206 1197971940 /nfs/dbraw/zinc/97/19/40/1197971940.db2.gz RMXVKKNXHIDVTA-UHFFFAOYSA-N 0 0 342.443 2.368 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2nnc(C3CC3)o2)cc1 ZINC000866014968 1198454713 /nfs/dbraw/zinc/45/47/13/1198454713.db2.gz CAFNPCNVUQYSJP-UHFFFAOYSA-N 0 0 330.388 2.164 10 10 EECERN O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H](O)C1CCOCC1 ZINC000813684719 1199143740 /nfs/dbraw/zinc/14/37/40/1199143740.db2.gz NHTNKGPJQOLUNL-ZDUSSCGKSA-N 0 0 334.199 2.103 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000122853148 1200371930 /nfs/dbraw/zinc/37/19/30/1200371930.db2.gz NZRBPLVEIWWRFP-UHFFFAOYSA-N 0 0 325.364 2.128 10 10 EECERN CC[C@@H](CNC(=O)NCc1cc(Br)ccc1O)OC ZINC000811965259 1200437153 /nfs/dbraw/zinc/43/71/53/1200437153.db2.gz AWEXWRSHDJDHML-NSHDSACASA-N 0 0 331.210 2.379 10 10 EECERN Cc1cc(C(=O)NC[C@H](O)[C@H](C)O)c(C)n1-c1cccc(Cl)c1 ZINC000871129324 1201063955 /nfs/dbraw/zinc/06/39/55/1201063955.db2.gz PTVPXLAQJCIHTO-LRDDRELGSA-N 0 0 336.819 2.219 10 10 EECERN CC(=O)c1cc(F)cc(Cn2cc([C@H]3CCCC[C@H]3O)nn2)c1O ZINC000880996169 1201619335 /nfs/dbraw/zinc/61/93/35/1201619335.db2.gz PCFNPRJXXYQRII-CZUORRHYSA-N 0 0 333.363 2.392 10 10 EECERN COc1ccc(CNC(=O)Cc2cn3c(C)csc3n2)c(O)c1 ZINC000867955633 1201714356 /nfs/dbraw/zinc/71/43/56/1201714356.db2.gz DWBDKEFMSRVXPQ-UHFFFAOYSA-N 0 0 331.397 2.277 10 10 EECERN O=C(/C=C\COC1CCOCC1)NCc1cc(Cl)ccc1O ZINC000869147392 1201950184 /nfs/dbraw/zinc/95/01/84/1201950184.db2.gz QUAZTVSFTJMYOB-UPHRSURJSA-N 0 0 325.792 2.414 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCN2 ZINC000133413728 1202194332 /nfs/dbraw/zinc/19/43/32/1202194332.db2.gz UIVWYPJIRXYCFG-UHFFFAOYSA-N 0 0 337.423 2.421 10 10 EECERN COc1ccc(C[NH2+]C/C=C\CNC(=O)c2oncc2C)cc1C ZINC001274481362 1205053853 /nfs/dbraw/zinc/05/38/53/1205053853.db2.gz GSNCETLOAXYEPF-PLNGDYQASA-N 0 0 329.400 2.376 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926650939 1206235165 /nfs/dbraw/zinc/23/51/65/1206235165.db2.gz LMIBVSNOCAJZPR-VYDXJSESSA-N 0 0 334.416 2.118 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cncc(C=O)c1 ZINC000929537823 1206484749 /nfs/dbraw/zinc/48/47/49/1206484749.db2.gz UXFUNLRILMDGMJ-UHFFFAOYSA-N 0 0 339.395 2.003 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCOC(C)(C)C2)cc1Cl ZINC000929829576 1206506330 /nfs/dbraw/zinc/50/63/30/1206506330.db2.gz SOTCDEGSMPHROA-UHFFFAOYSA-N 0 0 326.824 2.422 10 10 EECERN O=C(CC1CCCC1)NC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193050962 1210704733 /nfs/dbraw/zinc/70/47/33/1210704733.db2.gz WUEYWTYPCRICAR-UHFFFAOYSA-N 0 0 346.427 2.399 10 10 EECERN Cn1cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c(Br)n1 ZINC000720664770 1217276506 /nfs/dbraw/zinc/27/65/06/1217276506.db2.gz DDCQXMQKNUQTNX-UHFFFAOYSA-N 0 0 332.148 2.456 10 10 EECERN COC(=O)[C@](C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000900761826 1234775022 /nfs/dbraw/zinc/77/50/22/1234775022.db2.gz YHJFJMKBSBGINE-MRXNPFEDSA-N 0 0 335.381 2.384 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccncc2N(C)C)c1 ZINC000801921949 1236436648 /nfs/dbraw/zinc/43/66/48/1236436648.db2.gz CJKXQGGFDVZORE-NSHDSACASA-N 0 0 330.388 2.166 10 10 EECERN CN(C)c1cnccc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000801925081 1236446993 /nfs/dbraw/zinc/44/69/93/1236446993.db2.gz FCIXIJLTSBTRTI-UHFFFAOYSA-N 0 0 339.443 2.274 10 10 EECERN C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CO1 ZINC000827617749 1248496989 /nfs/dbraw/zinc/49/69/89/1248496989.db2.gz MDNATWZKYRRPGL-GZMMTYOYSA-N 0 0 329.194 2.131 10 10 EECERN CO[C@@H](CS(=O)(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000826984795 1248527466 /nfs/dbraw/zinc/52/74/66/1248527466.db2.gz QXDRZUNUNSLXRT-KRWDZBQOSA-N 0 0 338.473 2.131 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000867301872 1285499410 /nfs/dbraw/zinc/49/94/10/1285499410.db2.gz HBMGJVDGGCYKJX-VXGBXAGGSA-N 0 0 329.400 2.238 10 10 EECERN COc1cc(N2CCN(Cc3coc(C)n3)CC2)cc(OC)c1OC ZINC000851936339 1291923084 /nfs/dbraw/zinc/92/30/84/1291923084.db2.gz LTFUCCAOISTZBF-UHFFFAOYSA-N 0 0 347.415 2.331 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cnn(C)c3)C2)cc1 ZINC000852142028 1292010712 /nfs/dbraw/zinc/01/07/12/1292010712.db2.gz OTUZVEYMRCPEHA-HIFRSBDPSA-N 0 0 343.431 2.068 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(C)C[C@@H](C)O)C2)cc1 ZINC000852454534 1292118518 /nfs/dbraw/zinc/11/85/18/1292118518.db2.gz PJZITEPPTXRKEV-HUUCEWRRSA-N 0 0 349.475 2.370 10 10 EECERN CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@H](C)O1 ZINC000852455930 1292118826 /nfs/dbraw/zinc/11/88/26/1292118826.db2.gz WPOUQLKFBGCBOD-YQQAZPJKSA-N 0 0 347.459 2.483 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H]2CCCC[C@H]12 ZINC000852906799 1292231174 /nfs/dbraw/zinc/23/11/74/1292231174.db2.gz STYFXBNKWDDCFK-BRWVUGGUSA-N 0 0 330.428 2.392 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H]2CCCC[C@@H]12 ZINC000852906798 1292231620 /nfs/dbraw/zinc/23/16/20/1292231620.db2.gz STYFXBNKWDDCFK-BBWFWOEESA-N 0 0 330.428 2.392 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)CCCC(=O)OC)c([N+](=O)[O-])c1 ZINC000853895834 1292514353 /nfs/dbraw/zinc/51/43/53/1292514353.db2.gz PFSXYXPNSUNZRI-VQHVLOKHSA-N 0 0 336.344 2.170 10 10 EECERN COCCC(C)(C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299098 1292709965 /nfs/dbraw/zinc/70/99/65/1292709965.db2.gz LDVOPKQNQBMFLX-CQSZACIVSA-N 0 0 335.448 2.388 10 10 EECERN CCC[C@@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301314 1292712295 /nfs/dbraw/zinc/71/22/95/1292712295.db2.gz NICGPLJXJBPWMF-RDTXWAMCSA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(OC)ccn3)C2)cc1 ZINC000855224541 1293116687 /nfs/dbraw/zinc/11/66/87/1293116687.db2.gz LPJIKWGSJFEPKF-ZDUSSCGKSA-N 0 0 327.384 2.108 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)/C=C(/C)c3cnccn3)C2)cc1 ZINC000855226877 1293118609 /nfs/dbraw/zinc/11/86/09/1293118609.db2.gz VEMMYEXBTBSYFX-QKXCFHHRSA-N 0 0 338.411 2.284 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)n3nc(C)cc3C)C2)cc1 ZINC000855230223 1293121066 /nfs/dbraw/zinc/12/10/66/1293121066.db2.gz OJMKPINAABRHNN-HZPDHXFCSA-N 0 0 342.443 2.465 10 10 EECERN COCC(C)(C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209254 1293444339 /nfs/dbraw/zinc/44/43/39/1293444339.db2.gz JEISBPUZRDPYDO-UHFFFAOYSA-N 0 0 334.460 2.327 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000856779990 1293628328 /nfs/dbraw/zinc/62/83/28/1293628328.db2.gz CKWBTZQUMCWDRM-UUSSSYRCSA-N 0 0 334.372 2.236 10 10 EECERN C[C@H]1CC[C@@H](NCc2cc(F)c(N(C)C)cc2F)CS1(=O)=O ZINC000858188736 1294038295 /nfs/dbraw/zinc/03/82/95/1294038295.db2.gz BCKLWIQNDFKSIB-CMPLNLGQSA-N 0 0 332.416 2.086 10 10 EECERN CCO[C@@H](CS(=O)(=O)N[C@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000859006759 1294290505 /nfs/dbraw/zinc/29/05/05/1294290505.db2.gz MOHVQSOOGLQVSL-BZNIZROVSA-N 0 0 343.445 2.196 10 10 EECERN CN(C)c1ccc(/C=C\CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000862526201 1295867155 /nfs/dbraw/zinc/86/71/55/1295867155.db2.gz PEPACGAYRJHOEX-GUDHTMSVSA-N 0 0 334.485 2.417 10 10 EECERN COC(=O)[C@@]1(OC)CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000863296700 1296205222 /nfs/dbraw/zinc/20/52/22/1296205222.db2.gz KPCNBNWNOAPWJJ-LJQANCHMSA-N 0 0 345.395 2.318 10 10 EECERN COc1cc(C(=O)NCc2cc(Br)ccc2O)ccn1 ZINC001117307960 1306025892 /nfs/dbraw/zinc/02/58/92/1306025892.db2.gz LRJGKCHAIIVEAR-UHFFFAOYSA-N 0 0 337.173 2.488 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC001118538881 1308879290 /nfs/dbraw/zinc/87/92/90/1308879290.db2.gz XMYCGRJIJKACDR-OAHLLOKOSA-N 0 0 330.428 2.389 10 10 EECERN CCOc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC001118772121 1308941130 /nfs/dbraw/zinc/94/11/30/1308941130.db2.gz WNSREGVZIPLLAK-HNNXBMFYSA-N 0 0 341.411 2.498 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3cn(C)nc3C)C2)cc1 ZINC001118785247 1308942021 /nfs/dbraw/zinc/94/20/21/1308942021.db2.gz CPCYGHYVAZBWCY-MRXNPFEDSA-N 0 0 342.443 2.065 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC1(CO)CC1 ZINC000840481138 1315368954 /nfs/dbraw/zinc/36/89/54/1315368954.db2.gz GQPPXHYGXBWKOC-OAHLLOKOSA-N 0 0 333.476 2.406 10 10 EECERN Nc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)CCCC3)cc1 ZINC000841176017 1315496611 /nfs/dbraw/zinc/49/66/11/1315496611.db2.gz YERBVDGRPADBPH-UHFFFAOYSA-N 0 0 337.423 2.445 10 10 EECERN Cc1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)c(O)c1O ZINC001142180140 1315509776 /nfs/dbraw/zinc/50/97/76/1315509776.db2.gz KBFVIVLMODLZDY-ZDUSSCGKSA-N 0 0 332.400 2.023 10 10 EECERN CNC(=O)c1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142727805 1315718083 /nfs/dbraw/zinc/71/80/83/1315718083.db2.gz GHWKHEQQILRSFG-UHFFFAOYSA-N 0 0 335.363 2.230 10 10 EECERN COc1ccc(N2CC[C@@H](COC(=O)Cc3ccnn3C)C2)cc1 ZINC000842875626 1315789185 /nfs/dbraw/zinc/78/91/85/1315789185.db2.gz NFRYTGYLBHLKKB-CQSZACIVSA-N 0 0 329.400 2.041 10 10 EECERN CN(Cc1ccccc1O)C(=O)CCN1CSCCSC1 ZINC001149872147 1316074025 /nfs/dbraw/zinc/07/40/25/1316074025.db2.gz QHXDAYIWCVUQAM-UHFFFAOYSA-N 0 0 326.487 2.438 10 10 EECERN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1N1CCNC1=O ZINC001155814178 1317745430 /nfs/dbraw/zinc/74/54/30/1317745430.db2.gz OTGMAYSOBLIYIE-UHFFFAOYSA-N 0 0 341.367 2.117 10 10 EECERN Cn1ncc(C(=O)NCc2c(O)cccc2O)c1Cc1ccccc1 ZINC001156885754 1318264028 /nfs/dbraw/zinc/26/40/28/1318264028.db2.gz NGSYMDSYDRFVCZ-UHFFFAOYSA-N 0 0 337.379 2.352 10 10 EECERN O=C(Cc1cc(C(F)(F)F)ccn1)NCc1ccc(O)cc1O ZINC001299572047 1319519020 /nfs/dbraw/zinc/51/90/20/1319519020.db2.gz AANJYXDBSQVJFL-UHFFFAOYSA-N 0 0 326.274 2.371 10 10 EECERN CC(C)[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001261303715 1322062654 /nfs/dbraw/zinc/06/26/54/1322062654.db2.gz WWUHIFRVCFKFDT-INIZCTEOSA-N 0 0 331.460 2.216 10 10 EECERN CCCC(=O)N(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001287554460 1327516086 /nfs/dbraw/zinc/51/60/86/1327516086.db2.gz ROYYASRTAZYDER-NSHDSACASA-N 0 0 333.392 2.226 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3NC(=O)C[C@H]3C)c2C)cc1 ZINC001290610518 1328239112 /nfs/dbraw/zinc/23/91/12/1328239112.db2.gz SLDGXFNWASFSGE-GFCCVEGCSA-N 0 0 327.384 2.368 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)c1ccc2n[nH]c(=O)n2c1 ZINC001304090376 1331376899 /nfs/dbraw/zinc/37/68/99/1331376899.db2.gz GLIFPJFUQFBVKK-UHFFFAOYSA-N 0 0 334.335 2.224 10 10 EECERN C[C@@H](NC(=O)C(=O)NCCc1ccsc1)c1ccc(N(C)C)cc1 ZINC001328949690 1334554498 /nfs/dbraw/zinc/55/44/98/1334554498.db2.gz GGSNCIBZIRJUIL-CYBMUJFWSA-N 0 0 345.468 2.350 10 10 EECERN C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C1CCC(F)CC1 ZINC001330824003 1334909789 /nfs/dbraw/zinc/90/97/89/1334909789.db2.gz OFBKVYDWNKKLRQ-JEYLPNPQSA-N 0 0 349.450 2.402 10 10 EECERN COC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC001330885218 1334921521 /nfs/dbraw/zinc/92/15/21/1334921521.db2.gz CCZZYGOYLHCXGK-LBPRGKRZSA-N 0 0 344.367 2.084 10 10 EECERN CO[C@@H]1CC[C@@H](C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001333289218 1335996599 /nfs/dbraw/zinc/99/65/99/1335996599.db2.gz HVHRLFPOGPMSFR-NVXWUHKLSA-N 0 0 348.443 2.069 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCO[C@@](C)(C(F)F)C2)cc1F ZINC001333723166 1336115270 /nfs/dbraw/zinc/11/52/70/1336115270.db2.gz VAYHNYPBMAMAOE-MRXNPFEDSA-N 0 0 345.365 2.457 10 10 EECERN COc1nn(C)cc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001352627704 1338008857 /nfs/dbraw/zinc/00/88/57/1338008857.db2.gz UYUQETLDCHRYME-UHFFFAOYSA-N 0 0 328.416 2.301 10 10 EECERN O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1c(F)ccc(O)c1[O-] ZINC001611099706 1352294390 /nfs/dbraw/zinc/29/43/90/1352294390.db2.gz CPPFVNCKEVMFDK-UHFFFAOYSA-N 0 0 346.293 2.337 10 10 EECERN O=C(NCCOc1ccc(F)cc1F)c1c(F)ccc(O)c1O ZINC001610991276 1352293110 /nfs/dbraw/zinc/29/31/10/1352293110.db2.gz CTOOXLHEPTULLH-UHFFFAOYSA-N 0 0 327.258 2.324 10 10 EECERN CCOCc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCC1 ZINC001616689501 1352330710 /nfs/dbraw/zinc/33/07/10/1352330710.db2.gz MISIGCRSINTLKS-UHFFFAOYSA-N 0 0 346.431 2.072 10 10 EECERN COc1cc(OC)nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC001435953154 1342005247 /nfs/dbraw/zinc/00/52/47/1342005247.db2.gz DPRWJKFQFGEGEF-NSHDSACASA-N 0 0 330.388 2.051 10 10 EECERN CCCCC(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001579748908 1344412095 /nfs/dbraw/zinc/41/20/95/1344412095.db2.gz YIEFXPVRBFHFCN-NSHDSACASA-N 0 0 333.392 2.274 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2cc3n(n2)CCC[C@H]3O)cc1 ZINC001587404613 1348862123 /nfs/dbraw/zinc/86/21/23/1348862123.db2.gz HFVAZKYMORHQMV-QGZVFWFLSA-N 0 0 328.416 2.049 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CCO[C@H](c2ccccc2)O1 ZINC001593881241 1349873320 /nfs/dbraw/zinc/87/33/20/1349873320.db2.gz HULACUAHKNEZGV-AEFFLSMTSA-N 0 0 329.352 2.218 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001595751059 1349894096 /nfs/dbraw/zinc/89/40/96/1349894096.db2.gz CXTULWCBWMEDLP-GJZGRUSLSA-N 0 0 342.351 2.468 10 10 EECERN CC1(C)OC(=O)c2c1cccc2C(=O)NCc1c(O)cccc1O ZINC001597573255 1349928037 /nfs/dbraw/zinc/92/80/37/1349928037.db2.gz BCZNBNQYLVIPFT-UHFFFAOYSA-N 0 0 327.336 2.433 10 10 EECERN Cc1cc(C(=O)NCc2cccc(Cl)c2O)c2c(=O)[nH]n(C)c2n1 ZINC001606860751 1351367495 /nfs/dbraw/zinc/36/74/95/1351367495.db2.gz RNTMMWKINAXFBB-UHFFFAOYSA-N 0 0 346.774 2.271 10 10 EECERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC(=O)N1 ZINC001623549942 1352399748 /nfs/dbraw/zinc/39/97/48/1352399748.db2.gz NRKFXYYBLFAHJU-PBHICJAKSA-N 0 0 329.444 2.160 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCc2c(cnn2-c2ccccc2)C1 ZINC001625632471 1352453980 /nfs/dbraw/zinc/45/39/80/1352453980.db2.gz QQHCZAJSVPCZTO-UHFFFAOYSA-N 0 0 349.390 2.411 10 10 EECERN CN(C)S(=O)(=O)c1cc(NC(=O)C2=CC(=O)CS2)ccc1F ZINC001627333342 1352492573 /nfs/dbraw/zinc/49/25/73/1352492573.db2.gz SFXJSIFIUNPWJI-UHFFFAOYSA-N 0 0 344.389 2.095 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(Cn2cccn2)c1 ZINC001630796064 1352572317 /nfs/dbraw/zinc/57/23/17/1352572317.db2.gz HXUOALICLJCNHX-UHFFFAOYSA-N 0 0 337.379 2.202 10 10 EECERN O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1c(F)ccc(O)c1O ZINC001641572081 1352722582 /nfs/dbraw/zinc/72/25/82/1352722582.db2.gz OSQGWRCUBRFLGV-FZMZJTMJSA-N 0 0 332.331 2.282 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1[C@H]1CCC(=O)N1 ZINC001647994312 1353412770 /nfs/dbraw/zinc/41/27/70/1353412770.db2.gz KOEVEONHUFMTNA-CQSZACIVSA-N 0 0 326.352 2.230 10 10 EECERN CCOc1ccc(C(=O)NCc2cccc(O)c2O)cc1[N+](=O)[O-] ZINC001651172668 1354042338 /nfs/dbraw/zinc/04/23/38/1354042338.db2.gz AUASBJQHXTYUQO-UHFFFAOYSA-N 0 0 332.312 2.335 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001652295106 1354085649 /nfs/dbraw/zinc/08/56/49/1354085649.db2.gz BLSBLPCNACPOKU-UHFFFAOYSA-N 0 0 342.326 2.115 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001652625973 1354097398 /nfs/dbraw/zinc/09/73/98/1354097398.db2.gz PSMCZTFXTMEMLJ-AWEZNQCLSA-N 0 0 340.379 2.157 10 10 EECERN C[C@H](NC(=O)NCc1ccccc1O)c1nc(C(F)(F)F)no1 ZINC001684828983 1358283787 /nfs/dbraw/zinc/28/37/87/1358283787.db2.gz DRRRCTLGZGSGEM-ZETCQYMHSA-N 0 0 330.266 2.354 10 10 EECERN CCC(C)(C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001686723611 1358461269 /nfs/dbraw/zinc/46/12/69/1358461269.db2.gz LIQLFHYAMYLJDH-UHFFFAOYSA-N 0 0 333.392 2.131 10 10 EECERN CC(C)C(=O)N1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000940290846 778402118 /nfs/dbraw/zinc/40/21/18/778402118.db2.gz UOCJAOJWIRHLDA-UHFFFAOYSA-N 0 0 345.403 2.180 10 10 EECERN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CO1 ZINC000722489415 778892329 /nfs/dbraw/zinc/89/23/29/778892329.db2.gz JNXOFMUAHALZPT-SNVBAGLBSA-N 0 0 330.331 2.311 10 10 EECERN O=C(C[C@@H]1CCC2(CCOCC2)CO1)NCc1ccc(O)cc1O ZINC000910955437 787134615 /nfs/dbraw/zinc/13/46/15/787134615.db2.gz DYAAVHJAWQTGQA-HNNXBMFYSA-N 0 0 335.400 2.080 10 10 EECERN CN(Cc1ccccc1O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000822366748 787146444 /nfs/dbraw/zinc/14/64/44/787146444.db2.gz CQFBBICBMNWSRM-HIFRSBDPSA-N 0 0 326.343 2.348 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000822729356 787356864 /nfs/dbraw/zinc/35/68/64/787356864.db2.gz VXGNKEMAHFYLRU-QDMKHBRRSA-N 0 0 333.407 2.260 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccnc(OC)c3)C2)cc1 ZINC000823346763 787701886 /nfs/dbraw/zinc/70/18/86/787701886.db2.gz CTTZKUREZASSAR-AWEZNQCLSA-N 0 0 342.399 2.499 10 10 EECERN C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912003180 787889751 /nfs/dbraw/zinc/88/97/51/787889751.db2.gz DCXCKPAZVPMHAP-OPRDCNLKSA-N 0 0 348.424 2.392 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCO[C@H]1C1CC1 ZINC000912709630 788307057 /nfs/dbraw/zinc/30/70/57/788307057.db2.gz QYJWNVYVSPAQPA-MOPGFXCFSA-N 0 0 344.455 2.079 10 10 EECERN CS[C@H](C)C(=O)Nc1ccc(O)c(CNC(=O)[C@H](C)SC)c1 ZINC000923126138 788900307 /nfs/dbraw/zinc/90/03/07/788900307.db2.gz HKYULRNODRFODC-VHSXEESVSA-N 0 0 342.486 2.450 10 10 EECERN COc1ccc(N(C)CCN(C)CN2C[C@H](C(F)F)CC2=O)cc1 ZINC000844726216 789330283 /nfs/dbraw/zinc/33/02/83/789330283.db2.gz RQWYXCFOSLISRR-CYBMUJFWSA-N 0 0 341.402 2.134 10 10 EECERN CCc1ccncc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000845815823 789957446 /nfs/dbraw/zinc/95/74/46/789957446.db2.gz YPMZCLFLYSTAAL-UHFFFAOYSA-N 0 0 340.427 2.307 10 10 EECERN COC[C@@H]1CCN(C(=O)N(C)CCN(C)c2ccc(OC)cc2)C1 ZINC000845988086 790013494 /nfs/dbraw/zinc/01/34/94/790013494.db2.gz TZIIKZGZURZIDR-OAHLLOKOSA-N 0 0 335.448 2.152 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@]2(O)CCOC2)cc1 ZINC000846449365 790172950 /nfs/dbraw/zinc/17/29/50/790172950.db2.gz XUEFCAPPPFFRHZ-LJQANCHMSA-N 0 0 328.412 2.365 10 10 EECERN NC(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000172549210 791712768 /nfs/dbraw/zinc/71/27/68/791712768.db2.gz BOXSHLOHIWGSMD-HOTGVXAUSA-N 0 0 344.459 2.130 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3CCO[C@@H](C)CC3)CC2)cc1 ZINC000916226092 797558232 /nfs/dbraw/zinc/55/82/32/797558232.db2.gz OOTYRPPRIGBRGY-HNNXBMFYSA-N 0 0 347.459 2.484 10 10 EECERN O=S(=O)(NCc1cc(Cl)ccc1O)c1cnn(C2CCC2)c1 ZINC000916704055 797862893 /nfs/dbraw/zinc/86/28/93/797862893.db2.gz CDROUEZBQKYNQR-UHFFFAOYSA-N 0 0 341.820 2.446 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C(OC)OC)cc1F ZINC000917617343 798297784 /nfs/dbraw/zinc/29/77/84/798297784.db2.gz ZQUODJCJRCVGSQ-LBPRGKRZSA-N 0 0 341.427 2.479 10 10 EECERN O=C(Cc1c[nH]c2nccc(Cl)c12)NCc1cc(O)ccc1O ZINC001176754404 798570172 /nfs/dbraw/zinc/57/01/72/798570172.db2.gz CALQGKLRJOZABY-UHFFFAOYSA-N 0 0 331.759 2.486 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000824628585 800283353 /nfs/dbraw/zinc/28/33/53/800283353.db2.gz DGWGYXBPPPYKDV-GLRZTSSQSA-N 0 0 327.380 2.110 10 10 EECERN C[C@H](NC(=O)N1C[C@@H](O)CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000786815258 806910442 /nfs/dbraw/zinc/91/04/42/806910442.db2.gz KREARLNABPMNRI-FZMZJTMJSA-N 0 0 327.375 2.225 10 10 EECERN COCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCOC1 ZINC000787842308 807266488 /nfs/dbraw/zinc/26/64/88/807266488.db2.gz CRINJVBACMSRJO-MRXNPFEDSA-N 0 0 343.427 2.367 10 10 EECERN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)cc1F ZINC000793348876 810299717 /nfs/dbraw/zinc/29/97/17/810299717.db2.gz FFOTVBQKWXZNJW-UHFFFAOYSA-N 0 0 339.344 2.427 10 10 EECERN C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)s1)c1ccccc1O ZINC001454807250 1107694066 /nfs/dbraw/zinc/69/40/66/1107694066.db2.gz RFXLSRPYQUVUTA-SECBINFHSA-N 0 0 325.411 2.348 10 10 EECERN COC(=O)[C@]12CCC[C@H]1N(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001455507425 1108644336 /nfs/dbraw/zinc/64/43/36/1108644336.db2.gz YLNWTMNZMRLYMO-DYVFJYSZSA-N 0 0 344.371 2.407 10 10 EECERN COC(=O)c1cc(OC)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001464847859 1110405368 /nfs/dbraw/zinc/40/53/68/1110405368.db2.gz CQWFSKDTNIHFES-UHFFFAOYSA-N 0 0 331.324 2.074 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cncnc1N ZINC001465958301 1110427067 /nfs/dbraw/zinc/42/70/67/1110427067.db2.gz LROIIROQSFRYOC-UHFFFAOYSA-N 0 0 349.394 2.209 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1ccnc(F)c1 ZINC001469230906 1110487521 /nfs/dbraw/zinc/48/75/21/1110487521.db2.gz QTELJQYXIKFSRX-UHFFFAOYSA-N 0 0 346.358 2.061 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC001470486125 1110507031 /nfs/dbraw/zinc/50/70/31/1110507031.db2.gz VRZBOUQOMMYDPH-JKSUJKDBSA-N 0 0 344.459 2.082 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NCC1N=NC(=O)N1C1CC1 ZINC001471152840 1110518498 /nfs/dbraw/zinc/51/84/98/1110518498.db2.gz BOQYQNCERZDKLC-UHFFFAOYSA-N 0 0 345.403 2.146 10 10 EECERN C[C@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1O ZINC001471194284 1110519051 /nfs/dbraw/zinc/51/90/51/1110519051.db2.gz HOMGKKGIMLYEBX-NSHDSACASA-N 0 0 326.352 2.238 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001523560327 1119811085 /nfs/dbraw/zinc/81/10/85/1119811085.db2.gz QWLOZIBOQDKSCO-LJQANCHMSA-N 0 0 329.444 2.162 10 10 EECERN O=C1OC[C@H](Cc2ccc(O)c(O)c2)[C@H]1Cc1ccc(O)c(O)c1 ZINC000003589221 210058657 /nfs/dbraw/zinc/05/86/57/210058657.db2.gz NXJDDTDNGCHIGR-QWHCGFSZSA-N 0 0 330.336 2.083 10 10 biogenic,in-vitro EECERN C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000069848852 215607969 /nfs/dbraw/zinc/60/79/69/215607969.db2.gz MXCSXCDUIARADW-QAPCUYQASA-N 0 0 343.471 2.455 10 10 EECERN Cc1occc1C(=O)NC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193011640 237359324 /nfs/dbraw/zinc/35/93/24/237359324.db2.gz APENJSTUHJCRLO-UHFFFAOYSA-N 0 0 344.367 2.034 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCCc2nc(C)no2)cc1 ZINC000171190154 463807831 /nfs/dbraw/zinc/80/78/31/463807831.db2.gz HPPMQUZQQKZGPG-UHFFFAOYSA-N 0 0 331.420 2.266 10 10 EECERN COc1cccc(N2CC[C@H](CNC(=O)c3cccc(O)c3O)C2)c1 ZINC000187065440 464094807 /nfs/dbraw/zinc/09/48/07/464094807.db2.gz DDERJEVHLPDLGA-CYBMUJFWSA-N 0 0 342.395 2.363 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC(C)(C)O1 ZINC000279836777 464154504 /nfs/dbraw/zinc/15/45/04/464154504.db2.gz ZNUBXGRNHCUULD-QGZVFWFLSA-N 0 0 332.444 2.439 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2CCO[C@H]2C)cc1 ZINC000190013054 464586060 /nfs/dbraw/zinc/58/60/60/464586060.db2.gz DVRLFBVYKCUZCD-BBRMVZONSA-N 0 0 326.462 2.130 10 10 EECERN COc1cccc([C@H]2CN(C(=O)c3c(F)ccc(O)c3O)CCO2)c1 ZINC000294923726 464650636 /nfs/dbraw/zinc/65/06/36/464650636.db2.gz LAGBPTBYOZNJGU-OAHLLOKOSA-N 0 0 347.342 2.459 10 10 EECERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC000182460436 464660959 /nfs/dbraw/zinc/66/09/59/464660959.db2.gz KWTNZPTZXAKXHR-CQSZACIVSA-N 0 0 344.415 2.167 10 10 EECERN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C2CC2)cc1 ZINC000265799736 464690892 /nfs/dbraw/zinc/69/08/92/464690892.db2.gz NEWHRYAKWBZPTJ-OAHLLOKOSA-N 0 0 344.459 2.047 10 10 EECERN Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c(O)c1O ZINC000182598157 464691657 /nfs/dbraw/zinc/69/16/57/464691657.db2.gz NCGPKBJLZCIISQ-LLVKDONJSA-N 0 0 347.802 2.463 10 10 EECERN CCNC(=O)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000285882174 464730090 /nfs/dbraw/zinc/73/00/90/464730090.db2.gz RHVWQKCEKZSZMG-KGXGESDWSA-N 0 0 332.400 2.018 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCn2ncnc21 ZINC000177368421 464996704 /nfs/dbraw/zinc/99/67/04/464996704.db2.gz IAYFVFGBVAQFNA-OAHLLOKOSA-N 0 0 341.415 2.197 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC([C@H]4CCOC4)CC3)cc2N1 ZINC000374643934 466703525 /nfs/dbraw/zinc/70/35/25/466703525.db2.gz GOGQRINQMYZMLF-LBPRGKRZSA-N 0 0 347.371 2.179 10 10 EECERN Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c(O)c1O ZINC000365932926 466994312 /nfs/dbraw/zinc/99/43/12/466994312.db2.gz ZYPQUGLPXNKHAI-LLVKDONJSA-N 0 0 347.396 2.106 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccccc2OC)c1 ZINC000731975465 577140122 /nfs/dbraw/zinc/14/01/22/577140122.db2.gz BMGJUHYOHXQZLP-HJWRWDBZSA-N 0 0 325.368 2.126 10 10 EECERN C[C@H](NC(=O)N1CCN2C(=O)OCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000773611676 577354471 /nfs/dbraw/zinc/35/44/71/577354471.db2.gz QVKPIYXAYUPKBO-XJKSGUPXSA-N 0 0 346.431 2.050 10 10 EECERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773849283 577368583 /nfs/dbraw/zinc/36/85/83/577368583.db2.gz YGSUBNJMYGHRRR-ZDUSSCGKSA-N 0 0 343.431 2.175 10 10 EECERN Cc1cc(Br)cc(CN2CCN(C3CC3)C(=O)C2)c1O ZINC000775699043 577443215 /nfs/dbraw/zinc/44/32/15/577443215.db2.gz XWURMVPNWPFPKU-UHFFFAOYSA-N 0 0 339.233 2.270 10 10 EECERN COc1cccc(O)c1CN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000770350401 577594451 /nfs/dbraw/zinc/59/44/51/577594451.db2.gz GVSHUMUCKIEACB-BBRMVZONSA-N 0 0 333.384 2.318 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@@H](CO)c2ccsc2)cc1F ZINC000771309243 577613361 /nfs/dbraw/zinc/61/33/61/577613361.db2.gz FXJIRZLNURBOQD-AWEZNQCLSA-N 0 0 337.420 2.486 10 10 EECERN CC=CC[C@@H]1NC(=O)N([C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000761163770 577678231 /nfs/dbraw/zinc/67/82/31/577678231.db2.gz PSUUQQJOYUDSCR-JNPAJOFYSA-N 0 0 343.427 2.471 10 10 EECERN Cc1cc(=O)[nH]c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000761874954 577690746 /nfs/dbraw/zinc/69/07/46/577690746.db2.gz QREWHWBJZZHFDM-HNNXBMFYSA-N 0 0 329.400 2.377 10 10 EECERN Cc1cc(C(=O)OC[C@H](O)COC(C)C)c(C)n1-c1ccccn1 ZINC000762862350 577709821 /nfs/dbraw/zinc/70/98/21/577709821.db2.gz XEXMIPHCCSWAOK-OAHLLOKOSA-N 0 0 332.400 2.432 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H](O)C2CCOCC2)cc1F ZINC000742253330 577870184 /nfs/dbraw/zinc/87/01/84/577870184.db2.gz YRNSQTQYAKPCQV-KRWDZBQOSA-N 0 0 338.423 2.076 10 10 EECERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](O)C1CCOCC1 ZINC000746172369 577923493 /nfs/dbraw/zinc/92/34/93/577923493.db2.gz LIODTBBYAYNFFK-SFHVURJKSA-N 0 0 332.444 2.081 10 10 EECERN O=C(NCc1cc(Br)ccc1O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000804735548 675609636 /nfs/dbraw/zinc/60/96/36/675609636.db2.gz DKDDYCJYJILOGU-RAIGVLPGSA-N 0 0 326.190 2.196 10 10 EECERN Oc1ccc(Br)cc1CNc1nnnn1-c1ccccc1 ZINC000804828091 675650670 /nfs/dbraw/zinc/65/06/70/675650670.db2.gz HUOLFZWPRZITCJ-UHFFFAOYSA-N 0 0 346.188 2.164 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000294153329 683255488 /nfs/dbraw/zinc/25/54/88/683255488.db2.gz RCZIJVPKGARJCU-DYLGSBMWSA-N 0 0 334.372 2.380 10 10 EECERN COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(C)cc(OC)c1O ZINC000895403316 684594003 /nfs/dbraw/zinc/59/40/03/684594003.db2.gz SMSHIDIZQPKZSX-HIFRSBDPSA-N 0 0 337.416 2.157 10 10 EECERN CS[C@@H](CO)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897065754 686092030 /nfs/dbraw/zinc/09/20/30/686092030.db2.gz PBESWDJZXTZADM-CPFSXVBKSA-N 0 0 327.427 2.155 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000897584607 691647540 /nfs/dbraw/zinc/64/75/40/691647540.db2.gz FLXDVGJYMHTSQY-ZDUSSCGKSA-N 0 0 347.392 2.133 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000897791238 691784322 /nfs/dbraw/zinc/78/43/22/691784322.db2.gz HEQUQHMHARCKMN-PLYYQAHHSA-N 0 0 343.471 2.086 10 10 EECERN O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)c1cc2cc(O)c(O)cc2s1 ZINC000898440692 693320466 /nfs/dbraw/zinc/32/04/66/693320466.db2.gz XKGGGDCZTQQJOC-SNVBAGLBSA-N 0 0 348.380 2.026 10 10 EECERN CO[C@H]1COCC[C@H]1N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899224946 693670740 /nfs/dbraw/zinc/67/07/40/693670740.db2.gz YEZSKSOBCNJTNF-MFKMUULPSA-N 0 0 337.397 2.188 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCc1c2c(nn1C)CCCC2 ZINC000813233253 1201174289 /nfs/dbraw/zinc/17/42/89/1201174289.db2.gz DMEJKDXEZBHBCP-UHFFFAOYSA-N 0 0 328.416 2.346 10 10 EECERN CCO[C@H]1COCC[C@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000866209154 1201465535 /nfs/dbraw/zinc/46/55/35/1201465535.db2.gz YXPCHXONPKTRBJ-KSSFIOAISA-N 0 0 348.443 2.310 10 10 EECERN C[C@H](NC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccccc1O ZINC000868099276 1201743219 /nfs/dbraw/zinc/74/32/19/1201743219.db2.gz ICYYNVYYOGGYEO-AWEZNQCLSA-N 0 0 341.411 2.411 10 10 EECERN C[C@H](NC(=O)N1CC(F)(F)C[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000780622067 1204924855 /nfs/dbraw/zinc/92/48/55/1204924855.db2.gz POKPSAJXFBOTCZ-FZMZJTMJSA-N 0 0 327.375 2.225 10 10 EECERN O=C(C[C@@H]1CC[C@H](C(F)(F)F)O1)OCC(=O)c1ccc(O)c(O)c1 ZINC000923720112 1205902105 /nfs/dbraw/zinc/90/21/05/1205902105.db2.gz AXQKKSAALPJING-TVQRCGJNSA-N 0 0 348.273 2.324 10 10 EECERN Cn1ccc(C2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)n1 ZINC000928208171 1206360205 /nfs/dbraw/zinc/36/02/05/1206360205.db2.gz JTUXYWIUYHVLGM-HYXAFXHYSA-N 0 0 327.384 2.251 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000928710381 1206413812 /nfs/dbraw/zinc/41/38/12/1206413812.db2.gz CNWHCFKWDVEPAZ-ZDUSSCGKSA-N 0 0 349.406 2.075 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3cc(C=O)n(C)c3)CC2)cc1 ZINC000931575904 1207417146 /nfs/dbraw/zinc/41/71/46/1207417146.db2.gz GUCUHEVEUMWYQD-UHFFFAOYSA-N 0 0 341.411 2.245 10 10 EECERN C[N@@H+]1CC[C@H]1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000931784366 1207462397 /nfs/dbraw/zinc/46/23/97/1207462397.db2.gz BQENUXHSIFQWNM-ZDUSSCGKSA-N 0 0 336.399 2.222 10 10 EECERN C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000159615086 1208485652 /nfs/dbraw/zinc/48/56/52/1208485652.db2.gz XDIOMWOGDPOBDI-ONGXEEELSA-N 0 0 327.222 2.241 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(CN(C)Cc1ccc(C)o1)cc2=O ZINC000076546672 1209259450 /nfs/dbraw/zinc/25/94/50/1209259450.db2.gz IEDNBYWDYKHUHA-UHFFFAOYSA-N 0 0 344.371 2.145 10 10 EECERN Cc1cc(C(=O)NCC2(C)OCCCO2)c(C)n1-c1ccccn1 ZINC000191097330 1210098289 /nfs/dbraw/zinc/09/82/89/1210098289.db2.gz WUYFAJAAJWKMHI-UHFFFAOYSA-N 0 0 329.400 2.372 10 10 EECERN CC(C)Oc1ccc(N(C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801552066 1235824906 /nfs/dbraw/zinc/82/49/06/1235824906.db2.gz XLUBJDMENHWEIR-AWEZNQCLSA-N 0 0 326.462 2.192 10 10 EECERN C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903281394 1240168392 /nfs/dbraw/zinc/16/83/92/1240168392.db2.gz PHXNDPVHPSTRLP-BMIGLBTASA-N 0 0 349.258 2.043 10 10 EECERN CC[C@@H]1OCC[C@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000803890416 1242217971 /nfs/dbraw/zinc/21/79/71/1242217971.db2.gz CBUVZZOINMCLRC-SJORKVTESA-N 0 0 348.443 2.069 10 10 EECERN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC2(CCCC2)O1 ZINC000826816678 1248083604 /nfs/dbraw/zinc/08/36/04/1248083604.db2.gz HHWILQREQCKYLO-NSHDSACASA-N 0 0 347.371 2.464 10 10 EECERN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCC[C@@H]2CCOC2)c1 ZINC000827195329 1250676102 /nfs/dbraw/zinc/67/61/02/1250676102.db2.gz ZBISVHPZAVDQMJ-QWHCGFSZSA-N 0 0 343.445 2.198 10 10 EECERN CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc(Cl)c1[O-] ZINC000850507372 1277254403 /nfs/dbraw/zinc/25/44/03/1277254403.db2.gz IWDFQUTUXNJMNS-ZBFHGGJFSA-N 0 0 329.824 2.254 10 10 EECERN C[C@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N(C)C)cc1 ZINC000852262127 1292069983 /nfs/dbraw/zinc/06/99/83/1292069983.db2.gz ZFVMPLLDWXYKEY-ZDUSSCGKSA-N 0 0 325.416 2.372 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(OC)C3CC3)C2)cc1 ZINC000852349766 1292095598 /nfs/dbraw/zinc/09/55/98/1292095598.db2.gz PXQUVEXITXUUBC-KXBFYZLASA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](OC(C)C)C3)C2)cc1 ZINC000852449137 1292116390 /nfs/dbraw/zinc/11/63/90/1292116390.db2.gz PYHNMLAAFQSXDC-CRAIPNDOSA-N 0 0 347.459 2.483 10 10 EECERN CCC(CC)[C@@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852452673 1292117720 /nfs/dbraw/zinc/11/77/20/1292117720.db2.gz BXHZRFMVIDPRDW-QAPCUYQASA-N 0 0 349.475 2.370 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ncccc3F)C2)cc1 ZINC000852452520 1292117946 /nfs/dbraw/zinc/11/79/46/1292117946.db2.gz ZICMXXCKTCTKPK-CYBMUJFWSA-N 0 0 344.390 2.307 10 10 EECERN COC(=O)Cc1ccnc(N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000853085292 1292276569 /nfs/dbraw/zinc/27/65/69/1292276569.db2.gz JUJMRZKJBIWVDW-UHFFFAOYSA-N 0 0 341.411 2.132 10 10 EECERN COC[C@@H](CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000854291470 1292705358 /nfs/dbraw/zinc/70/53/58/1292705358.db2.gz AFWDVENTUPTRCA-GOSISDBHSA-N 0 0 349.475 2.478 10 10 EECERN CCN(C[C@H]1CCOC1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302350 1292712029 /nfs/dbraw/zinc/71/20/29/1292712029.db2.gz ZJCNNSCTQNEZJR-CVEARBPZSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)n3cccn3)C2)cc1 ZINC000855222854 1293115660 /nfs/dbraw/zinc/11/56/60/1293115660.db2.gz BLEYEURCYZZCOP-CABCVRRESA-N 0 0 328.416 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)/C=C(\C)c3cnccn3)C2)cc1 ZINC000855226874 1293118321 /nfs/dbraw/zinc/11/83/21/1293118321.db2.gz VEMMYEXBTBSYFX-ATGUSINASA-N 0 0 338.411 2.284 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)c3cnn(C)c3)C2)cc1 ZINC000855226270 1293118701 /nfs/dbraw/zinc/11/87/01/1293118701.db2.gz QWQCBAUZWQDREM-GDBMZVCRSA-N 0 0 342.443 2.317 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cn(C)nc3Cl)C2)cc1 ZINC000855227038 1293119956 /nfs/dbraw/zinc/11/99/56/1293119956.db2.gz SYGGVSQABARSQV-LLVKDONJSA-N 0 0 334.807 2.091 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3C3CC3)C2)cc1 ZINC000855229378 1293120658 /nfs/dbraw/zinc/12/06/58/1293120658.db2.gz JMGLJOMQWNNDGQ-CQSZACIVSA-N 0 0 340.427 2.315 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(N)nc(Cl)c3)C2)cc1 ZINC000855229349 1293120846 /nfs/dbraw/zinc/12/08/46/1293120846.db2.gz JAMJWXSBUQDECN-GFCCVEGCSA-N 0 0 346.818 2.335 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C3(C)COC(C)(C)OC3)C2)cc1 ZINC000855233305 1293121886 /nfs/dbraw/zinc/12/18/86/1293121886.db2.gz FVIJWDZLFHYTIO-AWEZNQCLSA-N 0 0 348.443 2.179 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(O)cc3)C2)cc1 ZINC000855234110 1293123286 /nfs/dbraw/zinc/12/32/86/1293123286.db2.gz SIOWSVPBLJYCAN-HNNXBMFYSA-N 0 0 326.396 2.338 10 10 EECERN CC(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)(C1CC1)C1CC1 ZINC000856121359 1293413726 /nfs/dbraw/zinc/41/37/26/1293413726.db2.gz JQBIFTSCWAIWBG-UHFFFAOYSA-N 0 0 338.429 2.072 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)OC)O2)cc1 ZINC000858201842 1294043911 /nfs/dbraw/zinc/04/39/11/1294043911.db2.gz WRBNXRCFRCVRNS-DLBZAZTESA-N 0 0 348.443 2.212 10 10 EECERN COC(=O)c1oc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000860697204 1295068613 /nfs/dbraw/zinc/06/86/13/1295068613.db2.gz PSXBNICEXOECNY-SNVBAGLBSA-N 0 0 333.340 2.147 10 10 EECERN [NH3+]C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC000861665480 1295494115 /nfs/dbraw/zinc/49/41/15/1295494115.db2.gz AEXUYLNEVGVKKM-UHFFFAOYSA-N 0 0 348.230 2.006 10 10 EECERN O=C(Cn1cnc2c1CCCC2)NCc1ccc2cccnc2c1O ZINC000862026880 1295660718 /nfs/dbraw/zinc/66/07/18/1295660718.db2.gz BIYPQAVWIBCBCM-UHFFFAOYSA-N 0 0 336.395 2.332 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)cc1 ZINC000864469750 1296554277 /nfs/dbraw/zinc/55/42/77/1296554277.db2.gz CECSXXVKWXFLCF-MJGOQNOKSA-N 0 0 330.428 2.303 10 10 EECERN CC(=O)c1cc(F)cc(CN2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000886798993 1296743101 /nfs/dbraw/zinc/74/31/01/1296743101.db2.gz LDHVQGBOGCPRNP-CQSZACIVSA-N 0 0 335.297 2.481 10 10 EECERN CNC(=O)C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000797546031 1304770042 /nfs/dbraw/zinc/77/00/42/1304770042.db2.gz NUTTTXSKCABMGA-MRXNPFEDSA-N 0 0 341.411 2.411 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001118189084 1306310092 /nfs/dbraw/zinc/31/00/92/1306310092.db2.gz HXXGYFQPWUSBAZ-ILVPNPQQSA-N 0 0 332.356 2.396 10 10 EECERN CCOC(=O)CN(Cc1cn(C2CCC2)nn1)Cc1ccccc1O ZINC001118639979 1308908452 /nfs/dbraw/zinc/90/84/52/1308908452.db2.gz DLGGTEQJWWUVKF-UHFFFAOYSA-N 0 0 344.415 2.274 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C2(C(=O)N(C)C)CC2)c1 ZINC000840959552 1315446203 /nfs/dbraw/zinc/44/62/03/1315446203.db2.gz YNXDRIXCGSKCIY-UHFFFAOYSA-N 0 0 327.222 2.174 10 10 EECERN Cc1cc(Br)c(O)c(CN2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000840980348 1315450807 /nfs/dbraw/zinc/45/08/07/1315450807.db2.gz XCYJJUJPIGWBAX-ZWNOBZJWSA-N 0 0 330.222 2.045 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCNC(=O)C=C2CCC2)cc1 ZINC001293239212 1328642840 /nfs/dbraw/zinc/64/28/40/1328642840.db2.gz PSMNOYDDIVYMSY-UHFFFAOYSA-N 0 0 343.387 2.195 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(F)c(F)c1F ZINC001152349699 1316660313 /nfs/dbraw/zinc/66/03/13/1316660313.db2.gz CZBXRVOAKXCCCV-UHFFFAOYSA-N 0 0 325.286 2.417 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cccnc1OCC(F)(F)F ZINC001153879091 1316907041 /nfs/dbraw/zinc/90/70/41/1316907041.db2.gz DQAWRVMWWGGRFD-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC001154537316 1317190093 /nfs/dbraw/zinc/19/00/93/1317190093.db2.gz RKWUKRKUPOOPDQ-HNNXBMFYSA-N 0 0 326.356 2.182 10 10 EECERN O=C(CCc1nnc(-c2ccccc2)o1)NCc1ccc(O)cc1O ZINC001162271821 1320802437 /nfs/dbraw/zinc/80/24/37/1320802437.db2.gz SISQGKDBYYOGIY-UHFFFAOYSA-N 0 0 339.351 2.397 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)CC(F)F)cc1 ZINC001262131079 1322242159 /nfs/dbraw/zinc/24/21/59/1322242159.db2.gz RAKYEJJOSUWUQN-UHFFFAOYSA-N 0 0 341.402 2.166 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc(C(N)=O)o1 ZINC001265093920 1322917080 /nfs/dbraw/zinc/91/70/80/1322917080.db2.gz MHKVHMWGKHUKDI-CLFYSBASSA-N 0 0 327.384 2.083 10 10 EECERN CCCC(=O)NC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285456834 1326999389 /nfs/dbraw/zinc/99/93/89/1326999389.db2.gz ASCRIAWXSMDURW-XWQBDTFCSA-N 0 0 331.376 2.051 10 10 EECERN C[C@H](NC(=O)c1ccc(O)cn1)c1ccc(N2CCOCC2)cc1 ZINC001292236597 1328373548 /nfs/dbraw/zinc/37/35/48/1328373548.db2.gz YERQKMGJRKFYPX-ZDUSSCGKSA-N 0 0 327.384 2.115 10 10 EECERN CC(C)(C)CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O ZINC001297091230 1329942677 /nfs/dbraw/zinc/94/26/77/1329942677.db2.gz NUXKWRPTGGCXKP-GFCCVEGCSA-N 0 0 333.392 2.259 10 10 EECERN Cc1cc(C(=O)N2[C@H](CO)CC[C@H]2CO)c(C)n1-c1cccc(C)c1 ZINC001299977237 1330169620 /nfs/dbraw/zinc/16/96/20/1330169620.db2.gz MLOOQYSQLFMBJU-ROUUACIJSA-N 0 0 342.439 2.360 10 10 EECERN CN1CCc2c(NC(=O)/C=C/c3ccc(O)c(O)c3)cccc2C1=O ZINC001300949235 1331284642 /nfs/dbraw/zinc/28/46/42/1331284642.db2.gz LWKMLWBOMVXUNY-SOFGYWHQSA-N 0 0 338.363 2.378 10 10 EECERN Cc1ccc(C(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c(O)c1O ZINC001301412176 1331298964 /nfs/dbraw/zinc/29/89/64/1331298964.db2.gz NWJRATJLBVAEHX-LBPRGKRZSA-N 0 0 341.285 2.287 10 10 EECERN NC(=O)CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001304853853 1331401212 /nfs/dbraw/zinc/40/12/12/1331401212.db2.gz VLFJVAIKHPVZHP-UHFFFAOYSA-N 0 0 331.376 2.157 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001327513241 1334306400 /nfs/dbraw/zinc/30/64/00/1334306400.db2.gz KLVZCVSKHLABMN-PIIMJCKOSA-N 0 0 343.471 2.404 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N2CC3CC2(C)C3)cc1F ZINC001327963605 1334371266 /nfs/dbraw/zinc/37/12/66/1334371266.db2.gz KFLRWOUBCLFUQO-UHFFFAOYSA-N 0 0 347.434 2.299 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@H](C[C@@H]2CCOC2)C(=O)[O-])cc1F ZINC001329682584 1334696342 /nfs/dbraw/zinc/69/63/42/1334696342.db2.gz QYJMXOSYQZEDAA-IINYFYTJSA-N 0 0 328.359 2.000 10 10 EECERN C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC001332338626 1335805409 /nfs/dbraw/zinc/80/54/09/1335805409.db2.gz GZWAZRNIFACETD-GDBMZVCRSA-N 0 0 349.450 2.120 10 10 EECERN O=C(N[C@H](Cc1ccccc1)c1ncon1)c1cccc(O)c1O ZINC001300081497 1338032100 /nfs/dbraw/zinc/03/21/00/1338032100.db2.gz ZHUBQPRHFOXDAR-CYBMUJFWSA-N 0 0 325.324 2.195 10 10 EECERN C[C@H](C(=O)NCc1cccc(Br)c1O)c1cnccn1 ZINC001556481031 1342428658 /nfs/dbraw/zinc/42/86/58/1342428658.db2.gz KMRIUJGMMIPEOT-VIFPVBQESA-N 0 0 336.189 2.365 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc2n[nH]c(C)c2c1 ZINC001556516080 1342429930 /nfs/dbraw/zinc/42/99/30/1342429930.db2.gz YZEUXYZWJNSWJH-UHFFFAOYSA-N 0 0 331.372 2.388 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001557085042 1342440428 /nfs/dbraw/zinc/44/04/28/1342440428.db2.gz ZRGXXXFQBFDJEN-UHFFFAOYSA-N 0 0 327.296 2.417 10 10 EECERN Cc1nnc(-c2cccc(C(=O)NCc3ccc(O)cc3O)c2)o1 ZINC001557085036 1342440531 /nfs/dbraw/zinc/44/05/31/1342440531.db2.gz ZNBNDBKWGUAFES-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001557255985 1342444462 /nfs/dbraw/zinc/44/44/62/1342444462.db2.gz VTIAPXAPRHWRLE-GXFFZTMASA-N 0 0 333.306 2.257 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1nc(-c2ccccc2)no1 ZINC001567426419 1342758390 /nfs/dbraw/zinc/75/83/90/1342758390.db2.gz BFJGBSKFGVFXTA-CLFYSBASSA-N 0 0 337.335 2.477 10 10 EECERN C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001593868440 1349873140 /nfs/dbraw/zinc/87/31/40/1349873140.db2.gz KCTYJHAVNONNCN-LBPRGKRZSA-N 0 0 344.367 2.029 10 10 EECERN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)cnc1Br ZINC001595595885 1349889827 /nfs/dbraw/zinc/88/98/27/1349889827.db2.gz MRLVXQLCCOEYHA-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cc(C(F)(F)F)ccn1 ZINC001595752540 1349893885 /nfs/dbraw/zinc/89/38/85/1349893885.db2.gz RXCAVEDPRBWFBC-UHFFFAOYSA-N 0 0 326.274 2.484 10 10 EECERN CC(=O)Nc1nc(C(=O)NCc2cccc(Cl)c2O)cs1 ZINC001606861220 1351367611 /nfs/dbraw/zinc/36/76/11/1351367611.db2.gz YZFIXTWHQQUOFG-UHFFFAOYSA-N 0 0 325.777 2.391 10 10 EECERN Cc1nn(C)c(NC(=O)c2ccc(C3=S=C(C=O)C=C3)cc2)c1C ZINC001624733087 1352428920 /nfs/dbraw/zinc/42/89/20/1352428920.db2.gz ICSAMRHYCWTXAT-UHFFFAOYSA-N 0 0 339.420 2.484 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC001625097801 1352440228 /nfs/dbraw/zinc/44/02/28/1352440228.db2.gz VPRHISXYDJLAKJ-DNVCBOLYSA-N 0 0 345.370 2.062 10 10 EECERN CN(C)C(=O)OC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001625129114 1352440911 /nfs/dbraw/zinc/44/09/11/1352440911.db2.gz YIZAWIRESKKKLT-UHFFFAOYSA-N 0 0 347.375 2.152 10 10 EECERN CN(C[C@@](C)(O)c1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001630491011 1352569696 /nfs/dbraw/zinc/56/96/96/1352569696.db2.gz RTDOKHQADDJRFU-ZMOVQZPESA-N 0 0 327.380 2.477 10 10 EECERN COc1ccc(CNC(=O)c2cn(C)nc2-c2ccco2)c(O)c1 ZINC001633926997 1352620921 /nfs/dbraw/zinc/62/09/21/1352620921.db2.gz NOUFFLQLQVRFEL-UHFFFAOYSA-N 0 0 327.340 2.324 10 10 EECERN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc(O)cc1O ZINC001638351742 1352687679 /nfs/dbraw/zinc/68/76/79/1352687679.db2.gz FGGQKZDOZXROIH-UHFFFAOYSA-N 0 0 332.312 2.091 10 10 EECERN CON(C)C(=O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001639393463 1352697902 /nfs/dbraw/zinc/69/79/02/1352697902.db2.gz VZICDLAJVQNJIF-UHFFFAOYSA-N 0 0 329.400 2.152 10 10 EECERN CC(C)(C)c1nnc(CNC(=O)c2ccc(N=NC(N)=O)cc2)[nH]1 ZINC001642403541 1352730626 /nfs/dbraw/zinc/73/06/26/1352730626.db2.gz FZICGUCKDBZDSH-UHFFFAOYSA-N 0 0 329.364 2.195 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc(-c2cccc(O)c2)on1 ZINC001645363307 1352776867 /nfs/dbraw/zinc/77/68/67/1352776867.db2.gz QAZAUHZVQHKTHT-UHFFFAOYSA-N 0 0 326.308 2.388 10 10 EECERN COC(=O)[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)c2ccccc21 ZINC001654796312 1354158118 /nfs/dbraw/zinc/15/81/18/1354158118.db2.gz YZAJLZLCYGFZSR-YPMHNXCESA-N 0 0 345.326 2.368 10 10 EECERN Cn1c(-c2ccccc2)cnc1SCc1nnc2c(=O)[nH]ccn12 ZINC001656127779 1354206299 /nfs/dbraw/zinc/20/62/99/1354206299.db2.gz SPOYSSDEIIQFKU-UHFFFAOYSA-N 0 0 338.396 2.110 10 10 EECERN CON(C)CCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001683149952 1358184558 /nfs/dbraw/zinc/18/45/58/1358184558.db2.gz UYMAHZASBZOCPU-UHFFFAOYSA-N 0 0 344.459 2.429 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3nnn(C)c3c2)c1 ZINC000183326429 780772843 /nfs/dbraw/zinc/77/28/43/780772843.db2.gz IHJBODPCYPWIJL-JTQLQIEISA-N 0 0 326.356 2.174 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)cc1F ZINC000906948472 784290504 /nfs/dbraw/zinc/29/05/04/784290504.db2.gz CGRZTXQIXLFELW-QAPCUYQASA-N 0 0 348.418 2.298 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(F)(F)C[C@@H]1CO ZINC000907589042 784742623 /nfs/dbraw/zinc/74/26/23/784742623.db2.gz OZRLUSHPSCDNRT-MRVPVSSYSA-N 0 0 329.324 2.155 10 10 EECERN Cc1ccc(CC(=O)OCC(=O)c2ccc(O)c(O)c2)c(Cl)n1 ZINC000805667915 784842408 /nfs/dbraw/zinc/84/24/08/784842408.db2.gz OQMPITLNBWMRGO-UHFFFAOYSA-N 0 0 335.743 2.423 10 10 EECERN C[C@H](NC(=O)/C=C/[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000819165886 785440691 /nfs/dbraw/zinc/44/06/91/785440691.db2.gz GFPDRAYYXOVLSC-CLGUQGEQSA-N 0 0 330.428 2.436 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)CCc3ccnn3C)C2)cc1 ZINC000819588182 785597299 /nfs/dbraw/zinc/59/72/99/785597299.db2.gz KSMRMYDMUODYBQ-HNNXBMFYSA-N 0 0 342.443 2.004 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3cnnc(C)c3)C2)cc1 ZINC000819589522 785598285 /nfs/dbraw/zinc/59/82/85/785598285.db2.gz SASCNULEEZCGSC-AWEZNQCLSA-N 0 0 326.400 2.050 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)c3cncnc3)C2)cc1 ZINC000819589035 785598414 /nfs/dbraw/zinc/59/84/14/785598414.db2.gz PZZGGVHFPUKKHR-CABCVRRESA-N 0 0 340.427 2.231 10 10 EECERN O=C(C[C@H](n1ccnc1)C(F)(F)F)NCc1ccc(O)cc1O ZINC000910943787 787147070 /nfs/dbraw/zinc/14/70/70/787147070.db2.gz OSBORCWZPLQCFY-LBPRGKRZSA-N 0 0 329.278 2.104 10 10 EECERN CCn1nccc1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822373069 787148712 /nfs/dbraw/zinc/14/87/12/787148712.db2.gz WSYWTFJUSJWAMX-ZDUSSCGKSA-N 0 0 329.404 2.312 10 10 EECERN O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000822459066 787216878 /nfs/dbraw/zinc/21/68/78/787216878.db2.gz ONBWRMUTCSDLCQ-NXEZZACHSA-N 0 0 336.189 2.298 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)Cc1nc(C)ccc1O ZINC000822511431 787250634 /nfs/dbraw/zinc/25/06/34/787250634.db2.gz FTIUMUWBLYTMNQ-UHFFFAOYSA-N 0 0 330.384 2.367 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)NCc3cscn3)C2)cc1 ZINC000822896894 787448775 /nfs/dbraw/zinc/44/87/75/787448775.db2.gz PPEXLTCUGZYXFJ-ZDUSSCGKSA-N 0 0 346.456 2.477 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)cc1 ZINC000912292256 788090539 /nfs/dbraw/zinc/09/05/39/788090539.db2.gz KIYABFNEIYWHKT-OLMNPRSZSA-N 0 0 330.428 2.205 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000845078092 789547375 /nfs/dbraw/zinc/54/73/75/789547375.db2.gz QCRKPXRJFNTNNI-ZDUSSCGKSA-N 0 0 331.420 2.257 10 10 EECERN Cc1nn(C)c(C)c1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058559187 789932758 /nfs/dbraw/zinc/93/27/58/789932758.db2.gz SXHHVIMMIOSXDS-UHFFFAOYSA-N 0 0 347.438 2.284 10 10 EECERN CN(C)c1ccc(CNC(=O)NCc2cccnc2N(C)C)cc1F ZINC000058559777 789933114 /nfs/dbraw/zinc/93/31/14/789933114.db2.gz UHZZREVKNASGGJ-UHFFFAOYSA-N 0 0 345.422 2.352 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cn3c(n2)CCCC3)c1 ZINC000845833475 789963176 /nfs/dbraw/zinc/96/31/76/789963176.db2.gz LRLTUKGKZFUTIK-GFCCVEGCSA-N 0 0 329.400 2.354 10 10 EECERN CC(C)(C)OC(=O)[C@]1(C(=O)N2Cc3cccc(O)c3C2)CCCO1 ZINC000913726439 794183374 /nfs/dbraw/zinc/18/33/74/794183374.db2.gz PEBQKEJOGDHGFA-GOSISDBHSA-N 0 0 333.384 2.125 10 10 EECERN [O-]c1c(F)cc(Br)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000715743929 795494500 /nfs/dbraw/zinc/49/45/00/795494500.db2.gz DBAXYJKWUZXVCY-SECBINFHSA-N 0 0 328.128 2.400 10 10 EECERN COC(=O)CC(C)(C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000915367204 795943845 /nfs/dbraw/zinc/94/38/45/795943845.db2.gz WVJRRLOBHHBODT-UHFFFAOYSA-N 0 0 339.411 2.280 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC000808521289 797689971 /nfs/dbraw/zinc/68/99/71/797689971.db2.gz NEUPCIBGDSRZOC-UHFFFAOYSA-N 0 0 333.384 2.120 10 10 EECERN Cc1cc(C(=O)NCc2cc(O)ccc2O)ccc1N1CCOCC1 ZINC001176754380 798570379 /nfs/dbraw/zinc/57/03/79/798570379.db2.gz BQCAPFXYWLGKIQ-UHFFFAOYSA-N 0 0 342.395 2.173 10 10 EECERN CN(C)c1nc(Cl)c(C(=O)NCc2c(O)cccc2O)s1 ZINC001178912318 799697482 /nfs/dbraw/zinc/69/74/82/799697482.db2.gz RXQWQNKOLXQSAB-UHFFFAOYSA-N 0 0 327.793 2.204 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001179220837 799823074 /nfs/dbraw/zinc/82/30/74/799823074.db2.gz FDJQGZKWYUVXEG-CFVMTHIKSA-N 0 0 334.441 2.160 10 10 EECERN COCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCOC1 ZINC000787264015 807071926 /nfs/dbraw/zinc/07/19/26/807071926.db2.gz QDPVINWMBZHSDE-GOSISDBHSA-N 0 0 345.443 2.010 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2cnn(C)n2)cc1 ZINC000791587405 809325669 /nfs/dbraw/zinc/32/56/69/809325669.db2.gz FXYKJDJCANHSCX-UHFFFAOYSA-N 0 0 338.367 2.262 10 10 EECERN CC(=O)C(=O)COC(=O)CCc1cc(Br)ccc1F ZINC000808531735 812703267 /nfs/dbraw/zinc/70/32/67/812703267.db2.gz XQYLLZULKAEJHP-UHFFFAOYSA-N 0 0 331.137 2.222 10 10 EECERN CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)[nH]n1 ZINC001452101999 1098208837 /nfs/dbraw/zinc/20/88/37/1098208837.db2.gz QQBWEAMNZZBZOG-ALCCZGGFSA-N 0 0 345.355 2.428 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001456030050 1109057432 /nfs/dbraw/zinc/05/74/32/1109057432.db2.gz PWPSGLZUJLPTDV-KZULUSFZSA-N 0 0 326.327 2.058 10 10 EECERN O=C(NC[C@@H]1CC(=O)c2ccccc2O1)c1c(F)ccc(O)c1O ZINC001457973167 1109818586 /nfs/dbraw/zinc/81/85/86/1109818586.db2.gz OVQYPASZABUSGY-VIFPVBQESA-N 0 0 331.299 2.001 10 10 EECERN COc1cccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+](C)C)c1 ZINC001463761008 1110380169 /nfs/dbraw/zinc/38/01/69/1110380169.db2.gz BWPTVRGOAFFZPJ-MRXNPFEDSA-N 0 0 344.411 2.068 10 10 EECERN C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1=CC(=O)CS1 ZINC001469559710 1110492730 /nfs/dbraw/zinc/49/27/30/1110492730.db2.gz URMGFUYBJBYKKF-CBAPKCEASA-N 0 0 336.335 2.125 10 10 EECERN COc1ncccc1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001504456690 1113915449 /nfs/dbraw/zinc/91/54/49/1113915449.db2.gz LWXUQDMOFYBTGG-UHFFFAOYSA-N 0 0 339.399 2.380 10 10 EECERN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1[C@@H]1C[C@H]1C ZINC001509600991 1115869299 /nfs/dbraw/zinc/86/92/99/1115869299.db2.gz XJRMPSFGNGXLTL-TZMCWYRMSA-N 0 0 343.431 2.339 10 10 EECERN CN(C)[C@]1(C(=O)NCc2c(O)cccc2F)COc2ccccc2C1 ZINC001520694819 1119188064 /nfs/dbraw/zinc/18/80/64/1119188064.db2.gz INTBJCBGDYWVJC-IBGZPJMESA-N 0 0 344.386 2.083 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C1/SCC(=O)N1C ZINC001540567576 1124086471 /nfs/dbraw/zinc/08/64/71/1124086471.db2.gz QVCMDYQAJIZSQB-WOJGMQOQSA-N 0 0 345.468 2.292 10 10 EECERN COc1ncc(/C=C/C(=O)N(C)c2cccnc2N2CCCC2)cn1 ZINC001542558174 1124114345 /nfs/dbraw/zinc/11/43/45/1124114345.db2.gz FNENFLRZJKLZMF-BQYQJAHWSA-N 0 0 339.399 2.157 10 10 EECERN CC1CCN(c2ccc(CNC(=O)/C=C/C(=O)N(C)C)cc2)CC1 ZINC001543145819 1124121705 /nfs/dbraw/zinc/12/17/05/1124121705.db2.gz DVRAJRPTUPWYJK-CMDGGOBGSA-N 0 0 329.444 2.184 10 10 EECERN COc1cccc(-n2c(C)cc(C(=O)NCCCC(N)=O)c2C)c1 ZINC000057212981 214411468 /nfs/dbraw/zinc/41/14/68/214411468.db2.gz PHJITQCYCQJIPU-UHFFFAOYSA-N 0 0 329.400 2.098 10 10 EECERN O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1cccnc1 ZINC000040867650 213396179 /nfs/dbraw/zinc/39/61/79/213396179.db2.gz LUUZZDJFMYGCHA-WQLSENKSSA-N 0 0 342.405 2.023 10 10 EECERN Cc1noc(C)c1CN(C)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000097234686 219002529 /nfs/dbraw/zinc/00/25/29/219002529.db2.gz JRCORHLNOVCODW-UHFFFAOYSA-N 0 0 330.340 2.441 10 10 EECERN CCCN(CC(=O)NC)C(=O)/C=C/c1ccc2c(c1)CCCN2C ZINC000061412371 462583247 /nfs/dbraw/zinc/58/32/47/462583247.db2.gz GTVFGQOMCVBIRQ-CSKARUKUSA-N 0 0 329.444 2.067 10 10 EECERN COc1ccc2c(c1)[C@@]1(C)CN(C3CCCCC3)C(=O)[C@@]1(N)N2C ZINC000048533398 462917288 /nfs/dbraw/zinc/91/72/88/462917288.db2.gz FDSAOMXHFZKROP-RTBURBONSA-N 0 0 329.444 2.233 10 10 EECERN COc1cccc(C2=C3C(=O)NC(c4cccc(OC)c4)=C3C(=O)N2)c1 ZINC000165658747 463645486 /nfs/dbraw/zinc/64/54/86/463645486.db2.gz VFFKESUQDJFTNT-UHFFFAOYSA-N 0 0 348.358 2.086 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CSCN1C(=O)CC ZINC000263924800 464241268 /nfs/dbraw/zinc/24/12/68/464241268.db2.gz AHGNVSWQGMRDLS-AWEZNQCLSA-N 0 0 336.457 2.442 10 10 EECERN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(N)cc3)CC(=O)N2C)cc1 ZINC000237384208 464312273 /nfs/dbraw/zinc/31/22/73/464312273.db2.gz ZHXKFHCYBSQHIQ-AEFFLSMTSA-N 0 0 339.395 2.436 10 10 EECERN COC(=O)[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000265719240 464659040 /nfs/dbraw/zinc/65/90/40/464659040.db2.gz GGSIVNKKLJLBRC-INIZCTEOSA-N 0 0 345.443 2.164 10 10 EECERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC000182460421 464660714 /nfs/dbraw/zinc/66/07/14/464660714.db2.gz KWTNZPTZXAKXHR-AWEZNQCLSA-N 0 0 344.415 2.167 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCN(c3ccnc(C)n3)CC2)c1O ZINC000183798041 464911402 /nfs/dbraw/zinc/91/14/02/464911402.db2.gz LOQUUDHNMGEXMK-UHFFFAOYSA-N 0 0 344.390 2.155 10 10 EECERN Cc1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)nc1 ZINC000302666250 466163142 /nfs/dbraw/zinc/16/31/42/466163142.db2.gz JKQMPKOWBHSHHK-UHFFFAOYSA-N 0 0 328.328 2.266 10 10 EECERN Cn1cc(-c2n[nH]cc2C(=O)N2CCc3cc(F)c(F)cc32)cn1 ZINC000436098320 467514480 /nfs/dbraw/zinc/51/44/80/467514480.db2.gz DVQVLPYXAHVNCX-UHFFFAOYSA-N 0 0 329.310 2.291 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000738500496 578017382 /nfs/dbraw/zinc/01/73/82/578017382.db2.gz MVVWNZSGBIZNQX-INIZCTEOSA-N 0 0 346.475 2.295 10 10 EECERN C[C@@H](NC(=O)N1CCN(CC(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000773614162 577354501 /nfs/dbraw/zinc/35/45/01/577354501.db2.gz RXFXRCHMCMDCQC-CYBMUJFWSA-N 0 0 340.418 2.406 10 10 EECERN C[C@H](NC(=O)NCCCN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000773630788 577355878 /nfs/dbraw/zinc/35/58/78/577355878.db2.gz VXFDSHJDZRROHL-AWEZNQCLSA-N 0 0 332.448 2.125 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000776814546 577468471 /nfs/dbraw/zinc/46/84/71/577468471.db2.gz CUDNDYLNOAYCPL-NKPXIPJASA-N 0 0 332.356 2.396 10 10 EECERN C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1cn[nH]c1 ZINC000764802101 577488778 /nfs/dbraw/zinc/48/87/78/577488778.db2.gz YKEAXKOIANEZHG-MRVPVSSYSA-N 0 0 339.193 2.438 10 10 EECERN C[C@@H](CCNC(=O)NCc1ccc(N2CCCC2)cc1)[S@](C)=O ZINC000765679289 577505011 /nfs/dbraw/zinc/50/50/11/577505011.db2.gz QRJPTZSUROJUKW-PSLXWICFSA-N 0 0 337.489 2.243 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)Cn1cnc2c1CCCC2 ZINC000758170053 577617489 /nfs/dbraw/zinc/61/74/89/577617489.db2.gz HNRICKRHKLPFIX-UHFFFAOYSA-N 0 0 326.444 2.453 10 10 EECERN COc1cc2c(cc1C(=O)NCc1ccc(N(C)C)cc1)OCO2 ZINC000758852346 577632398 /nfs/dbraw/zinc/63/23/98/577632398.db2.gz IGGDLWKRWUXYBI-UHFFFAOYSA-N 0 0 328.368 2.420 10 10 EECERN Cc1cc(C(=O)CN2C[C@H](O)C[C@H](O)C2)c(C)n1-c1ccccc1C ZINC000752309606 577768844 /nfs/dbraw/zinc/76/88/44/577768844.db2.gz HJMAHTBYTIAXAK-CALCHBBNSA-N 0 0 342.439 2.013 10 10 EECERN C[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cn[nH]c1 ZINC000757015539 577854978 /nfs/dbraw/zinc/85/49/78/577854978.db2.gz JINSKZINFASTCO-ZIAGYGMSSA-N 0 0 343.431 2.368 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc(-n3cncn3)cc2)cc1F ZINC000746865936 577935119 /nfs/dbraw/zinc/93/51/19/577935119.db2.gz HNFUHEKXOJWJPA-UHFFFAOYSA-N 0 0 339.374 2.402 10 10 EECERN C[C@@H](COC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(F)(F)F ZINC000748258770 577958331 /nfs/dbraw/zinc/95/83/31/577958331.db2.gz OYMAMTGSBKPXLG-ZETCQYMHSA-N 0 0 341.307 2.119 10 10 EECERN COc1ccc([C@@H](CC(=O)NCc2ccccc2O)NC(C)=O)cc1 ZINC000748349359 577959855 /nfs/dbraw/zinc/95/98/55/577959855.db2.gz FKCAYWGZPZLBKH-QGZVFWFLSA-N 0 0 342.395 2.285 10 10 EECERN CCOC(=O)C[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000160246386 674979489 /nfs/dbraw/zinc/97/94/89/674979489.db2.gz VLWMIPYJGCVPDF-NSHDSACASA-N 0 0 329.356 2.322 10 10 EECERN COCCOCCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896036489 684811055 /nfs/dbraw/zinc/81/10/55/684811055.db2.gz HCYGZSAKGRZXCK-UHFFFAOYSA-N 0 0 339.413 2.486 10 10 EECERN O=C(NCCOC[C@@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 ZINC000896284682 684928002 /nfs/dbraw/zinc/92/80/02/684928002.db2.gz XFOPJCACPLQHBR-SNVBAGLBSA-N 0 0 337.397 2.095 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC2(CCOCC2)C1 ZINC000897053657 686082644 /nfs/dbraw/zinc/08/26/44/686082644.db2.gz DXQSVIGWIFMKTK-UHFFFAOYSA-N 0 0 349.408 2.334 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cncc3nc[nH]c32)cc1 ZINC000898274724 691923449 /nfs/dbraw/zinc/92/34/49/691923449.db2.gz GNAUHMPXEBTZRT-UHFFFAOYSA-N 0 0 339.399 2.175 10 10 EECERN C[C@H](c1ccnn1C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000865340805 1198177261 /nfs/dbraw/zinc/17/72/61/1198177261.db2.gz YKKCCPKNKNXBOA-SNVBAGLBSA-N 0 0 348.790 2.305 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCO[C@@]3(CCSC3)C2)cc1 ZINC000825604326 1198185666 /nfs/dbraw/zinc/18/56/66/1198185666.db2.gz ZNMNPISKGKHQRS-KRWDZBQOSA-N 0 0 335.473 2.170 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3nnc(C(C)(C)C)o3)C2)cc1 ZINC000866017962 1198456264 /nfs/dbraw/zinc/45/62/64/1198456264.db2.gz CUUDWYYMQSPYGY-GFCCVEGCSA-N 0 0 344.415 2.384 10 10 EECERN CN(C)c1ccc(CNC(=O)Cn2cc(-c3ccccc3)nn2)cc1 ZINC000125176379 1199042878 /nfs/dbraw/zinc/04/28/78/1199042878.db2.gz NKGUOUSHIKQHKZ-UHFFFAOYSA-N 0 0 335.411 2.328 10 10 EECERN C[C@H](Nc1nc(C(N)=O)cs1)c1ccc(N2CCOCC2)cc1 ZINC000814360516 1199455478 /nfs/dbraw/zinc/45/54/78/1199455478.db2.gz CJHJDXIBCXXUDL-NSHDSACASA-N 0 0 332.429 2.252 10 10 EECERN COc1ccc(O)c(CNC(=O)c2ccnn2CC(F)(F)F)c1 ZINC000825840557 1199484948 /nfs/dbraw/zinc/48/49/48/1199484948.db2.gz UWMKATCQPWISFH-UHFFFAOYSA-N 0 0 329.278 2.090 10 10 EECERN COc1ccc(O)c(CNC(=O)c2cccc3c2CC(=O)CC3)c1 ZINC000810404317 1199512509 /nfs/dbraw/zinc/51/25/09/1199512509.db2.gz NDLSHTCDKMWSKJ-UHFFFAOYSA-N 0 0 325.364 2.389 10 10 EECERN COc1ccc(O)c(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000811806383 1200320671 /nfs/dbraw/zinc/32/06/71/1200320671.db2.gz UPZZZINMOLBULK-UHFFFAOYSA-N 0 0 345.311 2.252 10 10 EECERN C[C@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001720093218 1202345505 /nfs/dbraw/zinc/34/55/05/1202345505.db2.gz CHAUPQHNEWOEAY-WCQYABFASA-N 0 0 345.403 2.131 10 10 EECERN CSCc1nc(CNCc2c(O)cccc2Br)n[nH]1 ZINC000886326021 1202493071 /nfs/dbraw/zinc/49/30/71/1202493071.db2.gz ZTFXEHSMXXZSFA-UHFFFAOYSA-N 0 0 343.250 2.426 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N[C@H](CSC)C2=O)cc1F ZINC000924601932 1206002397 /nfs/dbraw/zinc/00/23/97/1206002397.db2.gz SVZMBWWOBUDLSH-CYBMUJFWSA-N 0 0 339.436 2.455 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000925270799 1206088982 /nfs/dbraw/zinc/08/89/82/1206088982.db2.gz PGCIGSSDPIMZJM-CRAIPNDOSA-N 0 0 344.411 2.362 10 10 EECERN CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC000928706033 1206413359 /nfs/dbraw/zinc/41/33/59/1206413359.db2.gz NWYHKBWRLJFDQI-MRXNPFEDSA-N 0 0 333.359 2.366 10 10 EECERN CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2c(O)cccc2F)CCCO1 ZINC000928706671 1206413484 /nfs/dbraw/zinc/41/34/84/1206413484.db2.gz UQTKTSAHLZYJKA-KRWDZBQOSA-N 0 0 339.363 2.038 10 10 EECERN O=C(CN(Cc1cc(F)ccc1O)C[C@@H]1CCCO1)N1CCCC1 ZINC000779022800 1208444244 /nfs/dbraw/zinc/44/42/44/1208444244.db2.gz HATUWFOZKPDFCK-INIZCTEOSA-N 0 0 336.407 2.135 10 10 EECERN CCCN(CC(=O)OC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000779427043 1210213689 /nfs/dbraw/zinc/21/36/89/1210213689.db2.gz ZGRNFIPALAKCHS-VURMDHGXSA-N 0 0 336.344 2.170 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000091629710 1213989588 /nfs/dbraw/zinc/98/95/88/1213989588.db2.gz RUEIKOKIVNYCAW-FVOPLDGLSA-N 0 0 348.277 2.140 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1ncn(C)n1 ZINC000827701262 1248656508 /nfs/dbraw/zinc/65/65/08/1248656508.db2.gz DUASQAODWDDELP-UHFFFAOYSA-N 0 0 344.463 2.045 10 10 EECERN COc1ccc(N(C)C[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000801520582 1235771986 /nfs/dbraw/zinc/77/19/86/1235771986.db2.gz HDPVPAFFRRUYDI-LLVKDONJSA-N 0 0 332.853 2.066 10 10 EECERN Cc1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000827599412 1248471324 /nfs/dbraw/zinc/47/13/24/1248471324.db2.gz MLCBRLRUPIALBF-MOPGFXCFSA-N 0 0 342.439 2.279 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCc3ccco3)C2)cc1 ZINC000851911116 1291913097 /nfs/dbraw/zinc/91/30/97/1291913097.db2.gz USYWCKNLULMAKC-CQSZACIVSA-N 0 0 329.400 2.409 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3c(C)noc3C)C2)cc1 ZINC000852007760 1291951376 /nfs/dbraw/zinc/95/13/76/1291951376.db2.gz AQEDMZPJAHZZOJ-CQSZACIVSA-N 0 0 344.415 2.378 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCOC3CCC3)C2)cc1 ZINC000852156776 1292019089 /nfs/dbraw/zinc/01/90/89/1292019089.db2.gz QVTWIPQEGPDKNI-AWEZNQCLSA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)OC(C)(C)C3)C2)cc1 ZINC000852454740 1292118537 /nfs/dbraw/zinc/11/85/37/1292118537.db2.gz QCBDYVIATMRQKW-CABCVRRESA-N 0 0 347.459 2.483 10 10 EECERN Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]4COC[C@H]4C3)cs2)cc1 ZINC000852864811 1292219338 /nfs/dbraw/zinc/21/93/38/1292219338.db2.gz IPLKOAJFGLFGPJ-ZIAGYGMSSA-N 0 0 343.452 2.425 10 10 EECERN CCC(CC)(CO)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300204 1292710941 /nfs/dbraw/zinc/71/09/41/1292710941.db2.gz PXSXKFIXHALBGT-OAHLLOKOSA-N 0 0 349.475 2.372 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)OC[C@@H]3C)C2)cc1 ZINC000854300230 1292711300 /nfs/dbraw/zinc/71/13/00/1292711300.db2.gz XEAGHBGBNBEMRL-ZNMIVQPWSA-N 0 0 333.432 2.093 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)Cc2ccnc(OC)c2)cc1 ZINC000855020521 1293035691 /nfs/dbraw/zinc/03/56/91/1293035691.db2.gz RDAWLZVDPYALTK-UHFFFAOYSA-N 0 0 343.427 2.236 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C=O)[nH]c3C)C2)cc1 ZINC000855223769 1293116835 /nfs/dbraw/zinc/11/68/35/1293116835.db2.gz HVLMTCRFGVPGJJ-CYBMUJFWSA-N 0 0 327.384 2.153 10 10 EECERN CCOC(=O)C(C)(C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855225298 1293117897 /nfs/dbraw/zinc/11/78/97/1293117897.db2.gz JNRGWDVMKVFTBW-AWEZNQCLSA-N 0 0 348.443 2.370 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)/C=C\c3cncc(O)c3)C2)cc1 ZINC000855227868 1293119760 /nfs/dbraw/zinc/11/97/60/1293119760.db2.gz QQIZLKBOIATSEW-SJXOGVDTSA-N 0 0 339.395 2.204 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)[C@H](C)C3)C2)cc1 ZINC000855234072 1293123078 /nfs/dbraw/zinc/12/30/78/1293123078.db2.gz RSWUWUKJANEGEA-ILXRZTDVSA-N 0 0 330.428 2.395 10 10 EECERN Cc1cc(CNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000858585924 1294160143 /nfs/dbraw/zinc/16/01/43/1294160143.db2.gz PWSGVHPOQOBONY-FZNQNYSPSA-N 0 0 340.427 2.157 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3CCCOC3)C2)cc1 ZINC000858599485 1294164645 /nfs/dbraw/zinc/16/46/45/1294164645.db2.gz NJDGXLNDYJJRGZ-CVEARBPZSA-N 0 0 347.459 2.390 10 10 EECERN Cc1cn2c(n1)C[C@H](C(=O)NCc1ccc(N(C)C)cc1C)CC2 ZINC000859420838 1294432980 /nfs/dbraw/zinc/43/29/80/1294432980.db2.gz AFFDHGZFGCRWAX-OAHLLOKOSA-N 0 0 326.444 2.445 10 10 EECERN Cc1ccc(O)c(CNC(=O)C(=O)Nc2ccc3c(c2)CCOC3)c1 ZINC000862024713 1295658853 /nfs/dbraw/zinc/65/88/53/1295658853.db2.gz FGTRVBPSHZVGJO-UHFFFAOYSA-N 0 0 340.379 2.028 10 10 EECERN CC(=O)N[C@H](CCC(C)C)C(=O)NCc1ccc2cccnc2c1O ZINC000862025513 1295660093 /nfs/dbraw/zinc/66/00/93/1295660093.db2.gz WVHORYVJNDYHDD-MRXNPFEDSA-N 0 0 343.427 2.498 10 10 EECERN CN1CCOC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000862508810 1295862813 /nfs/dbraw/zinc/86/28/13/1295862813.db2.gz XWFORKWIQHAXKW-GOSISDBHSA-N 0 0 342.439 2.391 10 10 EECERN CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000862551832 1295879658 /nfs/dbraw/zinc/87/96/58/1295879658.db2.gz QDNZQXNWEADNCY-LBPRGKRZSA-N 0 0 346.880 2.115 10 10 EECERN CCOc1ccc(N2CCN(C(=O)C3=C[S@@](=O)CCC3)CC2)cc1 ZINC001137658331 1314468589 /nfs/dbraw/zinc/46/85/89/1314468589.db2.gz DFZDDFYFFMSMCA-DEOSSOPVSA-N 0 0 348.468 2.160 10 10 EECERN CCc1ccc(NC(=O)C(=O)NCCc2ccc(N)cc2)cc1OC ZINC000841172274 1315496570 /nfs/dbraw/zinc/49/65/70/1315496570.db2.gz BPXKQWMBRFWVGT-UHFFFAOYSA-N 0 0 341.411 2.137 10 10 EECERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842200061 1315673769 /nfs/dbraw/zinc/67/37/69/1315673769.db2.gz CMTUSFQRTYVYKR-SJORKVTESA-N 0 0 331.460 2.259 10 10 EECERN COCc1ccccc1CS(=O)(=O)NCCc1ccc(N)cc1 ZINC000842821599 1315778911 /nfs/dbraw/zinc/77/89/11/1315778911.db2.gz NARPCTBPJLCEJD-UHFFFAOYSA-N 0 0 334.441 2.077 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1coc(=O)c2ccccc12 ZINC001160960433 1320332704 /nfs/dbraw/zinc/33/27/04/1320332704.db2.gz GCTNGXGMDZOVMM-UHFFFAOYSA-N 0 0 325.320 2.177 10 10 EECERN CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001287890419 1327558732 /nfs/dbraw/zinc/55/87/32/1327558732.db2.gz YFQFAJLTPOAZLO-BXUZGUMPSA-N 0 0 345.403 2.368 10 10 EECERN CNC(=O)c1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001292156751 1328366517 /nfs/dbraw/zinc/36/65/17/1328366517.db2.gz JESMCVOEFPGCMU-UHFFFAOYSA-N 0 0 339.355 2.139 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nnc(C(F)F)o1 ZINC001296245053 1329877061 /nfs/dbraw/zinc/87/70/61/1329877061.db2.gz AZYQSWKYQSLPKF-QMMMGPOBSA-N 0 0 341.314 2.098 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cc2c(cc1F)NC(=O)CC2 ZINC001296777522 1329921052 /nfs/dbraw/zinc/92/10/52/1329921052.db2.gz JPXWIVHGNSAYSQ-UHFFFAOYSA-N 0 0 330.315 2.303 10 10 EECERN Cc1[nH]c(=O)[nH]c1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001298830578 1330125956 /nfs/dbraw/zinc/12/59/56/1330125956.db2.gz WHDFGRZMVILBKO-UHFFFAOYSA-N 0 0 334.339 2.386 10 10 EECERN C/C=C(/C)C(=O)NC[C@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001299005354 1330146731 /nfs/dbraw/zinc/14/67/31/1330146731.db2.gz NQFHQZJVPJOKGU-YPCGIDRASA-N 0 0 343.387 2.146 10 10 EECERN Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)c1ccccc1O ZINC001302538284 1331328419 /nfs/dbraw/zinc/32/84/19/1331328419.db2.gz LZTPRUQHPWPWTL-LBPRGKRZSA-N 0 0 337.379 2.288 10 10 EECERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1c(O)cccc1O ZINC001304051181 1331374828 /nfs/dbraw/zinc/37/48/28/1331374828.db2.gz VXGZOMRLZLSIAQ-UHFFFAOYSA-N 0 0 341.323 2.277 10 10 EECERN C[C@@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001322541730 1333279073 /nfs/dbraw/zinc/27/90/73/1333279073.db2.gz WGZGNZCIUFJMGP-WBVHZDCISA-N 0 0 343.471 2.311 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3noc(C)n3)C2)cc1 ZINC001330620392 1334878376 /nfs/dbraw/zinc/87/83/76/1334878376.db2.gz DXRZXPGRLBIHEM-WCQYABFASA-N 0 0 345.403 2.026 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC3(CC3)C2)cc1 ZINC001332777466 1335904869 /nfs/dbraw/zinc/90/48/69/1335904869.db2.gz FSRBXLLQGFRCEE-OAHLLOKOSA-N 0 0 329.444 2.208 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cn(C)ccc1=O ZINC001351673703 1337837557 /nfs/dbraw/zinc/83/75/57/1337837557.db2.gz NFJWIBUXYKYVCB-UHFFFAOYSA-N 0 0 325.412 2.258 10 10 EECERN C[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccccn1 ZINC000849357338 1339154169 /nfs/dbraw/zinc/15/41/69/1339154169.db2.gz LSSDQBWEXUBRDF-ZDUSSCGKSA-N 0 0 325.368 2.355 10 10 EECERN COc1ccc(N2CC[C@@H](NS(=O)(=O)CC3CCCC3)C2)cc1 ZINC000849416978 1339156341 /nfs/dbraw/zinc/15/63/41/1339156341.db2.gz ZRZRHUCLROTFJI-OAHLLOKOSA-N 0 0 338.473 2.384 10 10 EECERN C[C@@H](NC(=O)CNc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC001557967117 1342461227 /nfs/dbraw/zinc/46/12/27/1342461227.db2.gz WELASCQBTZYEIY-GFCCVEGCSA-N 0 0 348.424 2.085 10 10 EECERN O=C(NCc1cccc(O)c1O)c1c[nH]c(=O)cc1C(F)(F)F ZINC001558161250 1342467199 /nfs/dbraw/zinc/46/71/99/1342467199.db2.gz KGMRSLJLMMLRSA-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001558263872 1342471091 /nfs/dbraw/zinc/47/10/91/1342471091.db2.gz KNKMWGNKWHALLR-MFKMUULPSA-N 0 0 333.306 2.257 10 10 EECERN CC/C(C)=C/C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001584110332 1348721788 /nfs/dbraw/zinc/72/17/88/1348721788.db2.gz QAATUNQLUKXGSE-NVGSIOEBSA-N 0 0 345.403 2.440 10 10 EECERN Cn1cc(-c2ncccc2C(=O)N2CCCc3cc[nH]c(=O)c32)cn1 ZINC001586060510 1348837882 /nfs/dbraw/zinc/83/78/82/1348837882.db2.gz CFZVDVLWWFPFDT-UHFFFAOYSA-N 0 0 335.367 2.176 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCc1nnc(-c2ccccc2)o1 ZINC001595830047 1349896076 /nfs/dbraw/zinc/89/60/76/1349896076.db2.gz NXTKSSSWRBBDAX-UHFFFAOYSA-N 0 0 339.351 2.049 10 10 EECERN CN(C(=O)c1cccnc1-c1cnn(C)c1)c1ccc2c(c1)OCO2 ZINC001596333295 1349905827 /nfs/dbraw/zinc/90/58/27/1349905827.db2.gz ZLPQXXKQWMJANB-UHFFFAOYSA-N 0 0 336.351 2.487 10 10 EECERN Nc1c(F)cc(F)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001597494017 1349925674 /nfs/dbraw/zinc/92/56/74/1349925674.db2.gz QTFNTJODMPGNEF-UHFFFAOYSA-N 0 0 347.365 2.314 10 10 EECERN Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NCc1ccccc1O ZINC001622772867 1352389013 /nfs/dbraw/zinc/38/90/13/1352389013.db2.gz LQJGJCOLORZNAC-UHFFFAOYSA-N 0 0 346.387 2.403 10 10 EECERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)Cc1ccc(O)c(O)c1 ZINC001624938765 1352435328 /nfs/dbraw/zinc/43/53/28/1352435328.db2.gz UGYMAUKKOXJWPI-CHWSQXEVSA-N 0 0 348.443 2.134 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(-n2ccnc2)c(F)c1 ZINC001625560542 1352451856 /nfs/dbraw/zinc/45/18/56/1352451856.db2.gz VHIOTPVHNZKLIH-UHFFFAOYSA-N 0 0 341.342 2.282 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3c2OCC(=O)N3)cc1 ZINC001625761024 1352457399 /nfs/dbraw/zinc/45/73/99/1352457399.db2.gz ADUABCVHPHCIMB-UHFFFAOYSA-N 0 0 339.311 2.432 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc(C(F)(F)F)c[nH]c1=O ZINC001626849956 1352475059 /nfs/dbraw/zinc/47/50/59/1352475059.db2.gz LMNZCZDDFAASPU-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN CN1C(=O)N[C@@](C)(c2ccc(NC(=O)C3=CC(=O)CS3)cc2)C1=O ZINC001627740941 1352508263 /nfs/dbraw/zinc/50/82/63/1352508263.db2.gz GNMJOEWRWOVDIS-INIZCTEOSA-N 0 0 345.380 2.103 10 10 EECERN CNc1ncnc2cc(C(=O)NCc3ccc(OC)cc3O)ccc21 ZINC001633926346 1352620886 /nfs/dbraw/zinc/62/08/86/1352620886.db2.gz BYCYZVQRXMVRLG-UHFFFAOYSA-N 0 0 338.367 2.316 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001634049357 1352621291 /nfs/dbraw/zinc/62/12/91/1352621291.db2.gz LNNMTRYPTOKXIM-GXFFZTMASA-N 0 0 332.360 2.120 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cn3nccc3nc2C)c1 ZINC001636061567 1352657134 /nfs/dbraw/zinc/65/71/34/1352657134.db2.gz REEQCSSHFUIWSC-JTQLQIEISA-N 0 0 326.356 2.243 10 10 EECERN CNC(=O)Nc1cccc(C(=O)NCc2cccc(OC)c2O)c1 ZINC001636061524 1352657368 /nfs/dbraw/zinc/65/73/68/1352657368.db2.gz PZIPGGUGTIARAO-UHFFFAOYSA-N 0 0 329.356 2.082 10 10 EECERN Cc1onc(-c2ccccn2)c1C(=O)NCc1ccc(O)cc1O ZINC001638351744 1352687747 /nfs/dbraw/zinc/68/77/47/1352687747.db2.gz FGYOWSDFLOEYAW-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(NCc1cccc(Cl)c1O)[C@@H]1CNC(=O)c2ccccc21 ZINC001648608566 1353436282 /nfs/dbraw/zinc/43/62/82/1353436282.db2.gz ISGIRSCEJLYRIG-CYBMUJFWSA-N 0 0 330.771 2.189 10 10 EECERN C/C(=C\C(=O)NCc1c(O)ccc2ccccc21)CN1CCOCC1 ZINC001652709077 1354099887 /nfs/dbraw/zinc/09/98/87/1354099887.db2.gz UTZNJVCBTQCEIT-NTCAYCPXSA-N 0 0 340.423 2.440 10 10 EECERN Cc1nccn1-c1ncccc1CNC(=O)c1c(F)ccc(O)c1O ZINC001654241279 1354144419 /nfs/dbraw/zinc/14/44/19/1354144419.db2.gz LTHSHLBBJIRFLX-UHFFFAOYSA-N 0 0 342.330 2.056 10 10 EECERN CN1CCCc2cc(CNC(=O)c3cn(C4CCC4)nn3)ccc21 ZINC000843538896 757042467 /nfs/dbraw/zinc/04/24/67/757042467.db2.gz LVLASKVINRNSPO-UHFFFAOYSA-N 0 0 325.416 2.316 10 10 EECERN Cc1ccc(C(=O)N2Cc3ccccc3N(C)C(=O)C2)c(O)c1O ZINC001167146854 757398051 /nfs/dbraw/zinc/39/80/51/757398051.db2.gz VCEHBGKSHMXUBS-UHFFFAOYSA-N 0 0 326.352 2.025 10 10 EECERN CCOC(=O)[C@@H]1C[C@H]1CN(CCOC)c1ccc(OC)c(OC)c1 ZINC001167694925 761782240 /nfs/dbraw/zinc/78/22/40/761782240.db2.gz BGNJQNXIPWVNGH-DZGCQCFKSA-N 0 0 337.416 2.356 10 10 EECERN CN(C)c1ncc(NC(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000154668647 768973457 /nfs/dbraw/zinc/97/34/57/768973457.db2.gz PKIBAYRDISZSAN-UHFFFAOYSA-N 0 0 341.415 2.449 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)c1 ZINC000918745478 769365363 /nfs/dbraw/zinc/36/53/63/769365363.db2.gz MGBSVQCEWBWKOQ-RNCFNFMXSA-N 0 0 348.321 2.167 10 10 EECERN C[C@@H](NS(=O)(=O)Cc1noc2c1CCCC2)c1ccccc1O ZINC000919117012 769608879 /nfs/dbraw/zinc/60/88/79/769608879.db2.gz BXGMIWRIYCIAIB-LLVKDONJSA-N 0 0 336.413 2.440 10 10 EECERN COc1cccc(CNC(=O)NCc2nccn2CC(C)C)c1O ZINC000175478400 773611418 /nfs/dbraw/zinc/61/14/18/773611418.db2.gz PRKILHYCTNJWFO-UHFFFAOYSA-N 0 0 332.404 2.253 10 10 EECERN CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CO1 ZINC000722489413 778887917 /nfs/dbraw/zinc/88/79/17/778887917.db2.gz JNXOFMUAHALZPT-JTQLQIEISA-N 0 0 330.331 2.311 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ccn(-c2c(F)cccc2F)n1 ZINC000182543720 779204736 /nfs/dbraw/zinc/20/47/36/779204736.db2.gz KBUSEJKBVFMMMF-UHFFFAOYSA-N 0 0 345.305 2.492 10 10 EECERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccnc(-n3ccnc3)c2)c1 ZINC000238086223 780068812 /nfs/dbraw/zinc/06/88/12/780068812.db2.gz WWSRXZJKCZYHGK-UHFFFAOYSA-N 0 0 325.328 2.171 10 10 EECERN CN1CCCc2cc(CNC(=O)CN3C(=O)Cc4ccccc43)ccc21 ZINC000816911505 784354713 /nfs/dbraw/zinc/35/47/13/784354713.db2.gz ONRUSFOKCABLHW-UHFFFAOYSA-N 0 0 349.434 2.275 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC(c3ccccn3)=NO2)c1 ZINC000907059881 784357789 /nfs/dbraw/zinc/35/77/89/784357789.db2.gz IWRHDGHBEGICOI-DIFFPNOSSA-N 0 0 341.367 2.166 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCN(C)C1=O ZINC001135800464 784466121 /nfs/dbraw/zinc/46/61/21/784466121.db2.gz GXLCFNNNJWRXPE-QGZVFWFLSA-N 0 0 329.444 2.114 10 10 EECERN Nc1nc(N)nc(COc2ccc(N3CCCCC3)c(Cl)c2)n1 ZINC000817381251 784725899 /nfs/dbraw/zinc/72/58/99/784725899.db2.gz DUFTWQRYUZZZDC-UHFFFAOYSA-N 0 0 334.811 2.259 10 10 EECERN C[C@@H](NC(=O)[C@H](C)c1ccnn1C)c1ccc(N2CCOCC2)cc1 ZINC000817429419 784782274 /nfs/dbraw/zinc/78/22/74/784782274.db2.gz RNBZXVFEGYDFMI-HUUCEWRRSA-N 0 0 342.443 2.238 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000819697641 785645177 /nfs/dbraw/zinc/64/51/77/785645177.db2.gz ASCNATDMCQCXFL-VXGBXAGGSA-N 0 0 345.317 2.482 10 10 EECERN COC(=O)c1cncc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000819935996 785732263 /nfs/dbraw/zinc/73/22/63/785732263.db2.gz PRXJTOYHBUOVRV-ZDUSSCGKSA-N 0 0 342.399 2.210 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)n(C)n3)C2)cc1 ZINC000822069514 787016277 /nfs/dbraw/zinc/01/62/77/787016277.db2.gz ALEKSJOYOLOXNS-ZDUSSCGKSA-N 0 0 329.404 2.138 10 10 EECERN CCOC(=O)c1cc(C(=O)NCCCSc2nccs2)on1 ZINC000823297717 787686449 /nfs/dbraw/zinc/68/64/49/787686449.db2.gz HYHSWSILVHDJBU-UHFFFAOYSA-N 0 0 341.414 2.220 10 10 EECERN COCCOCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000823677924 787885859 /nfs/dbraw/zinc/88/58/59/787885859.db2.gz CWIVISGFXIQALT-UHFFFAOYSA-N 0 0 330.428 2.416 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H](O)C3(C)C)C2)cc1 ZINC000823732886 787889608 /nfs/dbraw/zinc/88/96/08/787889608.db2.gz IZALZARJGFGYKX-WMLDXEAASA-N 0 0 347.459 2.076 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CC12CC2 ZINC000823862296 787966080 /nfs/dbraw/zinc/96/60/80/787966080.db2.gz OFLYMGXQQPSPJA-INIZCTEOSA-N 0 0 333.407 2.139 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccnnc3C)C2)cc1 ZINC000824284470 788102817 /nfs/dbraw/zinc/10/28/17/788102817.db2.gz QZETVHILXGRIJE-AWEZNQCLSA-N 0 0 341.415 2.442 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)Nc3c(C)cnn3C)C2)cc1 ZINC000824417324 788178085 /nfs/dbraw/zinc/17/80/85/788178085.db2.gz XXIZBSCTFZYTMI-CQSZACIVSA-N 0 0 343.431 2.385 10 10 EECERN Cc1cc(C(=O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)c(C)n1-c1ccccc1 ZINC000844430785 789116750 /nfs/dbraw/zinc/11/67/50/789116750.db2.gz DSGSWRMVAMQASY-UAVUOLJFSA-N 0 0 342.464 2.482 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)Nc2ccnnc2C)cc1 ZINC000844627699 789265677 /nfs/dbraw/zinc/26/56/77/789265677.db2.gz OHBGQBFIMABGBI-UHFFFAOYSA-N 0 0 329.404 2.394 10 10 EECERN O=C(NCCC1(CO)CCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000845002765 789511413 /nfs/dbraw/zinc/51/14/13/789511413.db2.gz MNFZDZYDASHJCN-UHFFFAOYSA-N 0 0 329.444 2.415 10 10 EECERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c1 ZINC000846012483 790021762 /nfs/dbraw/zinc/02/17/62/790021762.db2.gz ZSTPYMQXIYQCDO-GOSISDBHSA-N 0 0 328.368 2.267 10 10 EECERN COc1ccc(CNC(=O)Cc2c(C)nn(CC3CC3)c2C)c(O)c1 ZINC000846060934 790033022 /nfs/dbraw/zinc/03/30/22/790033022.db2.gz KCPUCIHIBMEIIM-UHFFFAOYSA-N 0 0 343.427 2.483 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000186411864 792605200 /nfs/dbraw/zinc/60/52/00/792605200.db2.gz BXBJCFUFHRWZRH-NSHDSACASA-N 0 0 347.415 2.458 10 10 EECERN Cc1cc(C(=O)NCc2cnc(C)nc2N)c(C)n1-c1ccccn1 ZINC000808098367 812455933 /nfs/dbraw/zinc/45/59/33/812455933.db2.gz KYJBDQIGRKGRLK-UHFFFAOYSA-N 0 0 336.399 2.100 10 10 EECERN CC(=O)N1CC[C@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000808268761 812566791 /nfs/dbraw/zinc/56/67/91/812566791.db2.gz YYBVSUNLCLELRK-MRXNPFEDSA-N 0 0 340.427 2.087 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(O)c1F ZINC001451908155 1098024975 /nfs/dbraw/zinc/02/49/75/1098024975.db2.gz DHCHEFQVBOOAJN-UHFFFAOYSA-N 0 0 347.342 2.442 10 10 EECERN CN1C(=O)COc2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c21 ZINC001455173182 1108276750 /nfs/dbraw/zinc/27/67/50/1108276750.db2.gz AJCXLFRBXWETDI-VURMDHGXSA-N 0 0 340.335 2.105 10 10 EECERN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1c(F)ccc(O)c1O ZINC001457738278 1109749881 /nfs/dbraw/zinc/74/98/81/1109749881.db2.gz LAUSLYJJVBQYLY-LLVKDONJSA-N 0 0 344.342 2.052 10 10 EECERN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001465574534 1110419976 /nfs/dbraw/zinc/41/99/76/1110419976.db2.gz QBNKWYSUFVOCAT-UHFFFAOYSA-N 0 0 338.404 2.060 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1=COCCC1 ZINC001466398773 1110434996 /nfs/dbraw/zinc/43/49/96/1110434996.db2.gz SIRYHMHPFGHXRK-UHFFFAOYSA-N 0 0 339.775 2.242 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1ccn(CCn2cccn2)n1 ZINC001469876166 1110498465 /nfs/dbraw/zinc/49/84/65/1110498465.db2.gz CRHWTKCXIZZLFJ-UHFFFAOYSA-N 0 0 345.790 2.069 10 10 EECERN Cc1nn(CC(=O)NCc2cc(Cl)ccc2O)c2ncccc12 ZINC001469876502 1110498576 /nfs/dbraw/zinc/49/85/76/1110498576.db2.gz GRZLDGJUHDITTH-UHFFFAOYSA-N 0 0 330.775 2.415 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)c1 ZINC001470255673 1110503866 /nfs/dbraw/zinc/50/38/66/1110503866.db2.gz ZKXWUWZOUWTPRH-NSHDSACASA-N 0 0 326.352 2.350 10 10 EECERN C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[nH]1)c1ccccc1O ZINC001478497091 1110654916 /nfs/dbraw/zinc/65/49/16/1110654916.db2.gz VUYKITUYXGCAAM-ZETCQYMHSA-N 0 0 329.282 2.090 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1(CC(N)=O)CC1 ZINC001478849481 1110658136 /nfs/dbraw/zinc/65/81/36/1110658136.db2.gz IJGAQLLXLMSZIO-UHFFFAOYSA-N 0 0 344.459 2.084 10 10 EECERN CC(C)=CC(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001503206815 1113880704 /nfs/dbraw/zinc/88/07/04/1113880704.db2.gz RLTHFCPOTADVPN-NSHDSACASA-N 0 0 331.376 2.050 10 10 EECERN CCC[C@@H](NC(N)=O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001539469373 1124058352 /nfs/dbraw/zinc/05/83/52/1124058352.db2.gz ZJZABBKKTCKQRU-MRXNPFEDSA-N 0 0 332.448 2.082 10 10 EECERN O=C(NCc1ccc(N2CCNC(=O)C2)cc1)N1CCCCCCC1 ZINC000046984612 462730150 /nfs/dbraw/zinc/73/01/50/462730150.db2.gz CTZXKTICUYRRBH-UHFFFAOYSA-N 0 0 344.459 2.099 10 10 EECERN CCO[C@@H]1C[C@]2(NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1(C)C ZINC000277560709 463920083 /nfs/dbraw/zinc/92/00/83/463920083.db2.gz XDRIAZGYNHLJMD-DNVCBOLYSA-N 0 0 345.443 2.378 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000186407939 463994066 /nfs/dbraw/zinc/99/40/66/463994066.db2.gz AFFMPURJMTZGKS-AAEUAGOBSA-N 0 0 347.440 2.271 10 10 EECERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000263941384 464247523 /nfs/dbraw/zinc/24/75/23/464247523.db2.gz ZVFLONICDBRTBY-BBRMVZONSA-N 0 0 349.500 2.316 10 10 EECERN CO[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000294606168 464549722 /nfs/dbraw/zinc/54/97/22/464549722.db2.gz NYLQOLIJKSUIAD-ROUUACIJSA-N 0 0 332.444 2.345 10 10 EECERN COc1cccc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1O ZINC000247245340 464660523 /nfs/dbraw/zinc/66/05/23/464660523.db2.gz ZRCQBMMQLLCSOX-APHBMKBZSA-N 0 0 332.400 2.158 10 10 EECERN COc1ccccc1N1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000295230005 464753718 /nfs/dbraw/zinc/75/37/18/464753718.db2.gz ZDOUTJBZHUUSFT-LLVKDONJSA-N 0 0 346.358 2.254 10 10 EECERN COc1cccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000366536670 465788454 /nfs/dbraw/zinc/78/84/54/465788454.db2.gz SQTIPZGNYAZMRG-AWEZNQCLSA-N 0 0 327.446 2.190 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000729471414 576656329 /nfs/dbraw/zinc/65/63/29/576656329.db2.gz XLUUFGBBXOLEKT-VSKVDJIOSA-N 0 0 334.372 2.380 10 10 EECERN Cc1cc(=O)[nH]c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775258527 577433860 /nfs/dbraw/zinc/43/38/60/577433860.db2.gz DCGUQQQKZXKXIT-AWEZNQCLSA-N 0 0 328.416 2.178 10 10 EECERN CCOC[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000777458283 577479281 /nfs/dbraw/zinc/47/92/81/577479281.db2.gz BUUQNTNDTPWVTA-AWEZNQCLSA-N 0 0 337.489 2.464 10 10 EECERN COCc1cncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000764952682 577491685 /nfs/dbraw/zinc/49/16/85/577491685.db2.gz DVEXDBVPHWSINM-UHFFFAOYSA-N 0 0 341.411 2.199 10 10 EECERN O=C(NCC[C@H]1COc2ccccc2O1)NCc1ccccc1O ZINC000765902050 577508893 /nfs/dbraw/zinc/50/88/93/577508893.db2.gz HLXLFQIXKIXPBK-AWEZNQCLSA-N 0 0 328.368 2.422 10 10 EECERN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cncnc1 ZINC000764624858 577740211 /nfs/dbraw/zinc/74/02/11/577740211.db2.gz JKLLMKZDGHXVOX-RHSMWYFYSA-N 0 0 341.411 2.494 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cn2cccnc2n1 ZINC000804739845 675612161 /nfs/dbraw/zinc/61/21/61/675612161.db2.gz VQZBFLIVXMJYRE-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN O=C(CSc1nnnn1Cc1ccccc1)c1ccc(O)c(O)c1 ZINC000016447334 681703248 /nfs/dbraw/zinc/70/32/48/681703248.db2.gz QROXCGINHSYMCF-UHFFFAOYSA-N 0 0 342.380 2.108 10 10 EECERN COC(=O)c1c(CN2C[C@@H](O)C(C)(C)C2)c2cc(F)ccc2n1C ZINC000894597409 682990506 /nfs/dbraw/zinc/99/05/06/682990506.db2.gz ZAXIZMKAUURFIZ-OAHLLOKOSA-N 0 0 334.391 2.307 10 10 EECERN CO[C@@]1(CO)CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895251210 684386756 /nfs/dbraw/zinc/38/67/56/684386756.db2.gz SXCZHJHRAHFQRQ-AWEZNQCLSA-N 0 0 348.212 2.267 10 10 EECERN COCc1ncc2c(n1)CCN(Cc1ccc(N(C)C)c(F)c1)C2 ZINC000895415678 684592975 /nfs/dbraw/zinc/59/29/75/684592975.db2.gz QZVXKAYMUWAGLC-UHFFFAOYSA-N 0 0 330.407 2.386 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CNC(=O)C2)CC1 ZINC000896781878 685242011 /nfs/dbraw/zinc/24/20/11/685242011.db2.gz XQUXYZWFBYSBMW-UHFFFAOYSA-N 0 0 346.408 2.055 10 10 EECERN COC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCO1 ZINC000897604942 691674194 /nfs/dbraw/zinc/67/41/94/691674194.db2.gz CBXKPNLGDXOKHF-GWCFXTLKSA-N 0 0 337.397 2.236 10 10 EECERN O=C(NCCO[C@@H]1CC1(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000898715484 693429222 /nfs/dbraw/zinc/42/92/22/693429222.db2.gz YMPBNQFZGBCWAM-GFCCVEGCSA-N 0 0 329.324 2.467 10 10 EECERN O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1ccc(O)cc1O ZINC001142533868 1188238662 /nfs/dbraw/zinc/23/86/62/1188238662.db2.gz UJFRTCXNPYEGOB-UHFFFAOYSA-N 0 0 349.774 2.189 10 10 EECERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[C@H](C)O1 ZINC000864633677 1197855897 /nfs/dbraw/zinc/85/58/97/1197855897.db2.gz BKWQXJCERSYASW-RVKKMQEKSA-N 0 0 332.444 2.295 10 10 EECERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCNC(=O)CC1 ZINC000815135326 1197862987 /nfs/dbraw/zinc/86/29/87/1197862987.db2.gz NDZDEKOZVWKRDG-INIZCTEOSA-N 0 0 329.444 2.209 10 10 EECERN CO[C@H]1CCn2cc(-c3nc(Cc4ccc(N)cc4)no3)nc2C1 ZINC000872171094 1198069478 /nfs/dbraw/zinc/06/94/78/1198069478.db2.gz OWPLJHMOICFUJI-ZDUSSCGKSA-N 0 0 325.372 2.067 10 10 EECERN NC(=O)c1csc(NCc2cc(Br)ccc2O)n1 ZINC000814368638 1199447993 /nfs/dbraw/zinc/44/79/93/1199447993.db2.gz HMGBWWCFWUHRGP-UHFFFAOYSA-N 0 0 328.191 2.322 10 10 EECERN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)C2 ZINC000876132718 1199514368 /nfs/dbraw/zinc/51/43/68/1199514368.db2.gz NAYBVCFGMFWDKH-PAUBSPINSA-N 0 0 348.399 2.103 10 10 EECERN Cn1ncc(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000825904838 1199780161 /nfs/dbraw/zinc/78/01/61/1199780161.db2.gz GVGUQUHXILPYPK-UHFFFAOYSA-N 0 0 340.383 2.275 10 10 EECERN COc1ccc(N2CCC(NC(=O)CCc3ccnn3C)CC2)cc1 ZINC000122575319 1200075984 /nfs/dbraw/zinc/07/59/84/1200075984.db2.gz FFRGHAYZEAYGHC-UHFFFAOYSA-N 0 0 342.443 2.147 10 10 EECERN CC(C)[C@](C)(CO)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000812014316 1200450257 /nfs/dbraw/zinc/45/02/57/1200450257.db2.gz HHJTYKWWTXPKIZ-KXBFYZLASA-N 0 0 349.475 2.290 10 10 EECERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCC1(F)F ZINC000870920466 1200954990 /nfs/dbraw/zinc/95/49/90/1200954990.db2.gz WQRKRLCAMXVLJH-LLVKDONJSA-N 0 0 343.326 2.067 10 10 EECERN COc1ccc(O)c(CNC(=O)NCc2c3c(nn2C)CCCC3)c1 ZINC000813071124 1201098458 /nfs/dbraw/zinc/09/84/58/1201098458.db2.gz PTYVFFMCTLTUNX-UHFFFAOYSA-N 0 0 344.415 2.013 10 10 EECERN Cc1ccc(C(=O)NCCC(=O)N2Cc3cccc(O)c3C2)c(O)c1 ZINC000871204650 1201099828 /nfs/dbraw/zinc/09/98/28/1201099828.db2.gz NRJNSZAPYGIIJY-UHFFFAOYSA-N 0 0 340.379 2.069 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000074261720 1201275895 /nfs/dbraw/zinc/27/58/95/1201275895.db2.gz RPGCAHHVJFJQSD-LLVKDONJSA-N 0 0 346.431 2.182 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000866227281 1201471031 /nfs/dbraw/zinc/47/10/31/1201471031.db2.gz YERDSQZTQBILAR-VGVVRCBHSA-N 0 0 334.372 2.378 10 10 EECERN COC1(CS(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000866418868 1201512762 /nfs/dbraw/zinc/51/27/62/1201512762.db2.gz WQBAVTQRNNBPBB-UHFFFAOYSA-N 0 0 326.462 2.083 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]3CCNC(=O)[C@@H]32)c1O ZINC000880525641 1201512767 /nfs/dbraw/zinc/51/27/67/1201512767.db2.gz GWEDMKASIPPTQM-XHDPSFHLSA-N 0 0 336.819 2.349 10 10 EECERN COc1ccc(N2CC[C@H](NS(=O)(=O)CCC(C)(F)F)C2)cc1 ZINC000867496703 1201622794 /nfs/dbraw/zinc/62/27/94/1201622794.db2.gz HKQDRMTZFYCUJU-LBPRGKRZSA-N 0 0 348.415 2.239 10 10 EECERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N[C@@H](C)c3ccccc3O)[C@@H]2C1 ZINC000868618943 1201846532 /nfs/dbraw/zinc/84/65/32/1201846532.db2.gz ZTFRYVSXJQVSRN-GUDXXQAFSA-N 0 0 345.443 2.399 10 10 EECERN CCc1onc(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000132957834 1202138312 /nfs/dbraw/zinc/13/83/12/1202138312.db2.gz QQGXWWFILMNNLV-UHFFFAOYSA-N 0 0 329.400 2.312 10 10 EECERN Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c(C)n1-c1ccccn1 ZINC000133082273 1202166921 /nfs/dbraw/zinc/16/69/21/1202166921.db2.gz ZQEISKNHTPORHD-LSDHHAIUSA-N 0 0 340.427 2.263 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](c2ncccn2)C1 ZINC000924337982 1205961716 /nfs/dbraw/zinc/96/17/16/1205961716.db2.gz YOLXHTFUHCRJBM-HZRUHFOJSA-N 0 0 325.368 2.307 10 10 EECERN CN(C)c1ccc(CN2C(=O)[C@H](c3cccnc3)N(C)C2=O)cc1F ZINC000924544025 1205993501 /nfs/dbraw/zinc/99/35/01/1205993501.db2.gz WXRBORYKXFFVGO-INIZCTEOSA-N 0 0 342.374 2.422 10 10 EECERN O=C(NCCc1cccc2c1OCCO2)NCc1c(O)cccc1F ZINC000927555084 1206275953 /nfs/dbraw/zinc/27/59/53/1206275953.db2.gz SNHYAQFVBGRTFU-UHFFFAOYSA-N 0 0 346.358 2.344 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)Cc2cn(CC)nn2)cc1 ZINC000929537349 1206484391 /nfs/dbraw/zinc/48/43/91/1206484391.db2.gz NBGQUQMCWRPXHU-UHFFFAOYSA-N 0 0 329.448 2.345 10 10 EECERN CCN1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1=O ZINC000190564934 1209916740 /nfs/dbraw/zinc/91/67/40/1209916740.db2.gz WWSKBJKDJFGVAM-UHFFFAOYSA-N 0 0 341.411 2.365 10 10 EECERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000191858513 1210389611 /nfs/dbraw/zinc/38/96/11/1210389611.db2.gz KDZBOSDCBRVEGP-UHFFFAOYSA-N 0 0 344.371 2.326 10 10 EECERN CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C(N)=O)c1 ZINC000779520597 1210405187 /nfs/dbraw/zinc/40/51/87/1210405187.db2.gz PKKUETVVOPDWRX-YWEYNIOJSA-N 0 0 342.351 2.247 10 10 EECERN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Cc1ccccc1 ZINC000779533380 1210422125 /nfs/dbraw/zinc/42/21/25/1210422125.db2.gz FPKSYMWWEHDQHO-FROQITRMSA-N 0 0 325.364 2.428 10 10 EECERN CSCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000194060275 1211078981 /nfs/dbraw/zinc/07/89/81/1211078981.db2.gz CLLUZNTYUIUORE-UHFFFAOYSA-N 0 0 326.437 2.156 10 10 EECERN O=C(/C=C/[C@@H]1CCOC1)NCc1cc(Br)ccc1O ZINC000832445721 1215449750 /nfs/dbraw/zinc/44/97/50/1215449750.db2.gz DMRULJMFOOMNSU-YEQXMLPJSA-N 0 0 326.190 2.364 10 10 EECERN O=C(NCc1ccccc1O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001137471270 1248667671 /nfs/dbraw/zinc/66/76/71/1248667671.db2.gz DPBHMBSHZJNOAK-UHFFFAOYSA-N 0 0 338.323 2.416 10 10 EECERN COc1cccc(CNC(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)c1O ZINC001137473463 1248677523 /nfs/dbraw/zinc/67/75/23/1248677523.db2.gz KESNXVAKGKVRKK-ZDUSSCGKSA-N 0 0 344.342 2.282 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001137473672 1248706993 /nfs/dbraw/zinc/70/69/93/1248706993.db2.gz RBHOPHYXEQPAEK-ZCFIWIBFSA-N 0 0 340.723 2.177 10 10 EECERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCCNC1=O ZINC000900512988 1234431803 /nfs/dbraw/zinc/43/18/03/1234431803.db2.gz XXNGLIAMGYBJIA-JTQLQIEISA-N 0 0 334.397 2.053 10 10 EECERN CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)NCc3ccc(N(C)C)cc3)C[C@@H]21 ZINC000902907629 1239032426 /nfs/dbraw/zinc/03/24/26/1239032426.db2.gz XEMSWMSPBUKBII-IXDOHACOSA-N 0 0 345.443 2.093 10 10 EECERN NC(=O)c1cc(NCc2ccc(N3CC=CC3)cc2)nc(Cl)n1 ZINC001185478786 1278661841 /nfs/dbraw/zinc/66/18/41/1278661841.db2.gz NJMUGIJTTHZCKS-UHFFFAOYSA-N 0 0 329.791 2.217 10 10 EECERN Oc1cc2c(cc1C[NH2+]Cc1cnc(C(F)(F)F)nc1)OCO2 ZINC000850344901 1277191159 /nfs/dbraw/zinc/19/11/59/1277191159.db2.gz BDMRJDFTIWNLNH-UHFFFAOYSA-N 0 0 327.262 2.220 10 10 EECERN C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850495435 1277247593 /nfs/dbraw/zinc/24/75/93/1277247593.db2.gz DIEVTVUPAKKRFY-PJLCYMMNSA-N 0 0 340.323 2.262 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cscn3)C2)cc1 ZINC000852030493 1291962881 /nfs/dbraw/zinc/96/28/81/1291962881.db2.gz KTJRRJGMRVAEDK-LBPRGKRZSA-N 0 0 332.429 2.230 10 10 EECERN COCCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852029549 1291962913 /nfs/dbraw/zinc/96/29/13/1291962913.db2.gz MBTSOADECGVXEA-OAHLLOKOSA-N 0 0 335.448 2.390 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)cc1 ZINC000852181256 1292030107 /nfs/dbraw/zinc/03/01/07/1292030107.db2.gz FUADUQDLTSFOBU-HNNXBMFYSA-N 0 0 341.411 2.479 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCCS3)C2)cc1 ZINC000852198056 1292037259 /nfs/dbraw/zinc/03/72/59/1292037259.db2.gz VBZXVAFXVANDLD-CJNGLKHVSA-N 0 0 335.473 2.469 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](OC)C[C@H]3C)C2)cc1 ZINC000852451119 1292117746 /nfs/dbraw/zinc/11/77/46/1292117746.db2.gz DPRDFXAGDVJXJX-VKJFTORMSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H]3CCCO3)C2)cc1 ZINC000852451097 1292117936 /nfs/dbraw/zinc/11/79/36/1292117936.db2.gz DFTJVTPWLXZVGL-YOEHRIQHSA-N 0 0 333.432 2.094 10 10 EECERN C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@H](C)[C@H]1O ZINC000853855877 1292491472 /nfs/dbraw/zinc/49/14/72/1292491472.db2.gz JHIQZMOYVWJPPG-GDNZZTSVSA-N 0 0 329.491 2.284 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@]3(C)CCCOC3)C2)cc1 ZINC000854298651 1292709940 /nfs/dbraw/zinc/70/99/40/1292709940.db2.gz HUVYLNCVLSDYBG-KSSFIOAISA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(O)c3O)C2)cc1 ZINC000855228095 1293119871 /nfs/dbraw/zinc/11/98/71/1293119871.db2.gz VDQOTFPJMVYBGP-GFCCVEGCSA-N 0 0 328.368 2.115 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3n[nH]c4c3CCCC4)C2)cc1 ZINC000855231702 1293122177 /nfs/dbraw/zinc/12/21/77/1293122177.db2.gz LDAYNQZKNBGSTO-ZDUSSCGKSA-N 0 0 340.427 2.306 10 10 EECERN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC000855871457 1293349350 /nfs/dbraw/zinc/34/93/50/1293349350.db2.gz YMPXSVQRFVJOPX-BWVNKGDMSA-N 0 0 341.411 2.372 10 10 EECERN CN(C)c1ccc(CN(C(=O)c2cn3c(n2)COCC3)C2CC2)cc1 ZINC000858341348 1294089298 /nfs/dbraw/zinc/08/92/98/1294089298.db2.gz GLOCSWXWDKJDMH-UHFFFAOYSA-N 0 0 340.427 2.284 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCN(C2CCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000858368897 1294097589 /nfs/dbraw/zinc/09/75/89/1294097589.db2.gz PFSIBKWQBXPKJD-GUYCJALGSA-N 0 0 344.459 2.266 10 10 EECERN O=C(COCc1cc[nH]c(=O)c1)NCc1c(O)ccc2c1CCCC2 ZINC000860243686 1294890068 /nfs/dbraw/zinc/89/00/68/1294890068.db2.gz ULTRKAYZUVEAQX-UHFFFAOYSA-N 0 0 342.395 2.205 10 10 EECERN COc1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)co1 ZINC000860347565 1294934863 /nfs/dbraw/zinc/93/48/63/1294934863.db2.gz POYKKNAWSQMCGX-ZDUSSCGKSA-N 0 0 332.356 2.210 10 10 EECERN Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000862545269 1295875242 /nfs/dbraw/zinc/87/52/42/1295875242.db2.gz MZMNBUNUHDLXGI-WCQYABFASA-N 0 0 327.743 2.496 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1COCCC1=O ZINC000862933003 1296027052 /nfs/dbraw/zinc/02/70/52/1296027052.db2.gz YJQSOPOADQREIR-INIZCTEOSA-N 0 0 326.396 2.490 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001119001408 1308970552 /nfs/dbraw/zinc/97/05/52/1308970552.db2.gz RXODISJNAZXHPW-NJSLBKSFSA-N 0 0 347.411 2.269 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001119768244 1309195985 /nfs/dbraw/zinc/19/59/85/1309195985.db2.gz DLORHBPNUGOBRD-GRYCIOLGSA-N 0 0 339.486 2.046 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3nnc(C)o3)C2)cc1 ZINC001123837566 1310724789 /nfs/dbraw/zinc/72/47/89/1310724789.db2.gz YZKZMXZJIXCQEU-DGCLKSJQSA-N 0 0 345.403 2.026 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2CCOCC23CCCCC3)cc1 ZINC000839618603 1315221635 /nfs/dbraw/zinc/22/16/35/1315221635.db2.gz YQTOORCDHLEOAP-UHFFFAOYSA-N 0 0 345.487 2.404 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840488301 1315370399 /nfs/dbraw/zinc/37/03/99/1315370399.db2.gz LEGYBYKZIQYRIU-GDBMZVCRSA-N 0 0 347.459 2.197 10 10 EECERN COCc1cc(O)ccc1NS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000840917987 1315436093 /nfs/dbraw/zinc/43/60/93/1315436093.db2.gz NKRIAFVZTMBLHD-UHFFFAOYSA-N 0 0 336.413 2.405 10 10 EECERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(N)cc3)C2)n(C)n1 ZINC000841297974 1315524273 /nfs/dbraw/zinc/52/42/73/1315524273.db2.gz XAMSATBBMUPQAY-OAHLLOKOSA-N 0 0 328.420 2.101 10 10 EECERN COC(=O)CCCN1C(=O)/C(=C\c2conc2C)SC1=S ZINC000841497321 1315565208 /nfs/dbraw/zinc/56/52/08/1315565208.db2.gz VMFGWJMDUUDLOU-UXBLZVDNSA-N 0 0 326.399 2.137 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cccnc1OCC(F)(F)F ZINC001142531364 1315652370 /nfs/dbraw/zinc/65/23/70/1315652370.db2.gz ZIIVHQIOZCKHGN-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN CSc1ncc(C(=O)NCc2ccc(N(C)C)cc2C)c(=O)[nH]1 ZINC001293280247 1328653059 /nfs/dbraw/zinc/65/30/59/1328653059.db2.gz CPPHWHIWEPGFTF-UHFFFAOYSA-N 0 0 332.429 2.209 10 10 EECERN CN(CCCC(=O)NCc1cc(O)ccc1O)C(=O)OC(C)(C)C ZINC001153886054 1316908342 /nfs/dbraw/zinc/90/83/42/1316908342.db2.gz UMLJCSHAIWBPPI-UHFFFAOYSA-N 0 0 338.404 2.361 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cnn2ccccc12 ZINC001154025302 1316939188 /nfs/dbraw/zinc/93/91/88/1316939188.db2.gz HAYUFRHIHXUGDB-LBPRGKRZSA-N 0 0 325.368 2.035 10 10 EECERN CCCCCC(=O)N1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001283330292 1326014151 /nfs/dbraw/zinc/01/41/51/1326014151.db2.gz HSFCBLJKTGIRFJ-CQSZACIVSA-N 0 0 349.431 2.010 10 10 EECERN C[C@@H](NC(=O)C1=C[S@@](=O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC001292234988 1328373475 /nfs/dbraw/zinc/37/34/75/1328373475.db2.gz BMHGZXLIQZIUEQ-SHACYNPGSA-N 0 0 348.468 2.127 10 10 EECERN CCOCCO[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001295446017 1329812167 /nfs/dbraw/zinc/81/21/67/1329812167.db2.gz WAIQJYMZTRFRRC-AWEZNQCLSA-N 0 0 334.376 2.117 10 10 EECERN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)CC ZINC001297060404 1329939722 /nfs/dbraw/zinc/93/97/22/1329939722.db2.gz BAHBUXIJVIBUGQ-GOSISDBHSA-N 0 0 348.447 2.318 10 10 EECERN CN1CCc2c(NC(=O)/C=C\c3ccc(O)c(O)c3)cccc2C1=O ZINC001300949238 1331284730 /nfs/dbraw/zinc/28/47/30/1331284730.db2.gz LWKMLWBOMVXUNY-VURMDHGXSA-N 0 0 338.363 2.378 10 10 EECERN C[C@@H](C(=O)NCc1cc(O)ccc1O)n1ccc2ccccc2c1=O ZINC001303226109 1331350676 /nfs/dbraw/zinc/35/06/76/1331350676.db2.gz WWEOVRUIHFSHGY-LBPRGKRZSA-N 0 0 338.363 2.290 10 10 EECERN CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000900268685 1331415979 /nfs/dbraw/zinc/41/59/79/1331415979.db2.gz DLUSCWUDGFZARB-UHFFFAOYSA-N 0 0 336.407 2.284 10 10 EECERN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CC(=O)N(C)C ZINC001305381952 1331425087 /nfs/dbraw/zinc/42/50/87/1331425087.db2.gz HDEDILLHZQHETM-CYBMUJFWSA-N 0 0 345.447 2.222 10 10 EECERN CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318516457 1332554136 /nfs/dbraw/zinc/55/41/36/1332554136.db2.gz VYQKQSHQTJNKGK-CQSZACIVSA-N 0 0 346.431 2.039 10 10 EECERN CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001333803166 1336136669 /nfs/dbraw/zinc/13/66/69/1336136669.db2.gz RNUJZSKKZFAHPN-WDEREUQCSA-N 0 0 333.392 2.272 10 10 EECERN C[C@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001334271981 1336231722 /nfs/dbraw/zinc/23/17/22/1336231722.db2.gz XTPRNVRWOSVXSP-SUMWQHHRSA-N 0 0 338.407 2.195 10 10 EECERN Cn1nc(C2CCOCC2)cc1C(=O)NCc1c(O)cccc1F ZINC001347823784 1337521848 /nfs/dbraw/zinc/52/18/48/1337521848.db2.gz BIBMNHBFCYJAOU-UHFFFAOYSA-N 0 0 333.363 2.089 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC(F)(F)CO1 ZINC001612537476 1352308484 /nfs/dbraw/zinc/30/84/84/1352308484.db2.gz GEIZKLVZXGCUMY-CYBMUJFWSA-N 0 0 338.358 2.353 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001617046585 1352335146 /nfs/dbraw/zinc/33/51/46/1352335146.db2.gz DZINUAIBUPGJOT-UHFFFAOYSA-N 0 0 328.372 2.481 10 10 EECERN CCOCCN(C)c1nnc(C)n1Cc1ccc2c(c1)CCCN2C ZINC001617127165 1352336892 /nfs/dbraw/zinc/33/68/92/1352336892.db2.gz UGUSNXMYWNYLSY-UHFFFAOYSA-N 0 0 343.475 2.490 10 10 EECERN CCOC(=O)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001618820847 1352353847 /nfs/dbraw/zinc/35/38/47/1352353847.db2.gz QXIZEDMQLLHCRM-OAHLLOKOSA-N 0 0 343.379 2.103 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1cnc2cccnn21 ZINC001556480905 1342429015 /nfs/dbraw/zinc/42/90/15/1342429015.db2.gz GZUASSXFGMHSJZ-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001556515586 1342430102 /nfs/dbraw/zinc/43/01/02/1342430102.db2.gz DYSPYZGZGTWNAC-NHYWBVRUSA-N 0 0 327.421 2.045 10 10 EECERN COc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(O)cc1O ZINC001557084515 1342440487 /nfs/dbraw/zinc/44/04/87/1342440487.db2.gz CGXPQISIGDJEDC-UHFFFAOYSA-N 0 0 339.351 2.222 10 10 EECERN Cc1nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(=O)[nH]c1C ZINC001623550181 1352399781 /nfs/dbraw/zinc/39/97/81/1352399781.db2.gz STQCABSXTPYPIS-UHFFFAOYSA-N 0 0 340.427 2.259 10 10 EECERN COc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(O)c1O ZINC001637033846 1352670967 /nfs/dbraw/zinc/67/09/67/1352670967.db2.gz AJSCFMBKXSXGLQ-UHFFFAOYSA-N 0 0 339.351 2.222 10 10 EECERN CCOC(=O)[C@H](CC)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001644225320 1352759934 /nfs/dbraw/zinc/75/99/34/1352759934.db2.gz GGERCIPNFNXAHH-HNNXBMFYSA-N 0 0 336.432 2.168 10 10 EECERN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC000846724157 790464588 /nfs/dbraw/zinc/46/45/88/790464588.db2.gz JKVOIBSQSJPUMS-CQSZACIVSA-N 0 0 331.460 2.454 10 10 EECERN COc1ccc(CNC(=O)c2c(C(F)(F)F)cnn2C)c(O)c1 ZINC000846951597 790769352 /nfs/dbraw/zinc/76/93/52/790769352.db2.gz YLVZMYKFBVSIAH-UHFFFAOYSA-N 0 0 329.278 2.083 10 10 EECERN COc1ccc(CNC(=O)[C@H]2COC[C@H]2c2ccccc2)c(O)c1 ZINC000846948988 790769509 /nfs/dbraw/zinc/76/95/09/790769509.db2.gz FAZJIPPHYAXZJK-IRXDYDNUSA-N 0 0 327.380 2.447 10 10 EECERN CC[C@H](NC(=O)NCCCSc1nccs1)[C@@H](O)C(F)F ZINC000838512983 781098241 /nfs/dbraw/zinc/09/82/41/781098241.db2.gz BYSMWQNTCHVMPO-DTWKUNHWSA-N 0 0 339.433 2.329 10 10 EECERN O=C(Cc1ccncc1Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000816897277 784325223 /nfs/dbraw/zinc/32/52/23/784325223.db2.gz CDAGYIBPFCUEPM-UHFFFAOYSA-N 0 0 345.830 2.431 10 10 EECERN C/C(=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CN1CCOCC1 ZINC000907493341 784674275 /nfs/dbraw/zinc/67/42/75/784674275.db2.gz QTSJVPRLFMQYHH-MDJJKAFGSA-N 0 0 331.460 2.208 10 10 EECERN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000818361575 785256432 /nfs/dbraw/zinc/25/64/32/785256432.db2.gz LPIJMDMDTNUJBW-WRWORJQWSA-N 0 0 331.199 2.497 10 10 EECERN O=C(/C=C/[C@@H]1CCCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000819132477 785417396 /nfs/dbraw/zinc/41/73/96/785417396.db2.gz WQIBEQCTODSUKG-DRDHIDPGSA-N 0 0 334.391 2.014 10 10 EECERN CN1CCCc2cc(CNC(=O)c3cc4c(cn3)OCCO4)ccc21 ZINC000819198264 785459519 /nfs/dbraw/zinc/45/95/19/785459519.db2.gz QALNOMHUFHKYST-UHFFFAOYSA-N 0 0 339.395 2.165 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)CCOCC3CC3)C2)cc1 ZINC000819585029 785595792 /nfs/dbraw/zinc/59/57/92/785595792.db2.gz VZHIWAUXTNTOID-MRXNPFEDSA-N 0 0 332.444 2.454 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCCOCC3)C2)cc1 ZINC000819590349 785599179 /nfs/dbraw/zinc/59/91/79/785599179.db2.gz YINRAUWRFNAWHA-JKSUJKDBSA-N 0 0 332.444 2.454 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/[C@H]1CCCO1 ZINC000819700210 785647401 /nfs/dbraw/zinc/64/74/01/785647401.db2.gz UOFXESAUKVGRNY-BOLDSZDNSA-N 0 0 333.384 2.019 10 10 EECERN CSc1ncc(C(=O)NCc2ccc3c(c2)CCCN3C)c(=O)[nH]1 ZINC001136437169 786707348 /nfs/dbraw/zinc/70/73/48/786707348.db2.gz YPAASNKKFOZFTA-UHFFFAOYSA-N 0 0 344.440 2.217 10 10 EECERN CO[C@](C)(CO)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708190714 786763831 /nfs/dbraw/zinc/76/38/31/786763831.db2.gz NBWSZOIVZIEJBS-LBPRGKRZSA-N 0 0 338.629 2.295 10 10 EECERN CCc1ncc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000822070395 787015864 /nfs/dbraw/zinc/01/58/64/787015864.db2.gz LAHLLYPWWCPXHM-ZDUSSCGKSA-N 0 0 341.415 2.448 10 10 EECERN CCc1ncc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000822070391 787016444 /nfs/dbraw/zinc/01/64/44/787016444.db2.gz LAHLLYPWWCPXHM-CYBMUJFWSA-N 0 0 341.415 2.448 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC001136680607 787609063 /nfs/dbraw/zinc/60/90/63/787609063.db2.gz OFRBRLOKZBOBQB-ZDUSSCGKSA-N 0 0 348.349 2.314 10 10 EECERN C/C(=C\C(=O)N1C[C@H](CO)Cc2cccc(F)c21)c1cnccn1 ZINC000911686726 787637216 /nfs/dbraw/zinc/63/72/16/787637216.db2.gz OWIQPUHEHULZLS-BWODNOAJSA-N 0 0 327.359 2.217 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](O)C3(C)C)C2)cc1 ZINC000823732885 787889755 /nfs/dbraw/zinc/88/97/55/787889755.db2.gz IZALZARJGFGYKX-RHSMWYFYSA-N 0 0 347.459 2.076 10 10 EECERN CCN(C(=O)c1cccc(O)c1O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000912487882 788195704 /nfs/dbraw/zinc/19/57/04/788195704.db2.gz HCVQVLAZGOPJFE-SNVBAGLBSA-N 0 0 332.322 2.197 10 10 EECERN COc1c([O-])c(C[NH2+]CC2(CF)CCOCC2)ccc1[N+](=O)[O-] ZINC000824794680 788321377 /nfs/dbraw/zinc/32/13/77/788321377.db2.gz GMCPJDPLQXAFSS-UHFFFAOYSA-N 0 0 328.340 2.165 10 10 EECERN Cc1ccn2ncc(C(=O)NCCCSc3nccs3)c2n1 ZINC000074136417 788665925 /nfs/dbraw/zinc/66/59/25/788665925.db2.gz CLLAEQORKCFALJ-UHFFFAOYSA-N 0 0 333.442 2.406 10 10 EECERN COC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000843532238 788680158 /nfs/dbraw/zinc/68/01/58/788680158.db2.gz WTZZBECTDMVGOM-CHWSQXEVSA-N 0 0 336.407 2.235 10 10 EECERN CCN(OC)C(=O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000844072555 788842383 /nfs/dbraw/zinc/84/23/83/788842383.db2.gz PCWPWRFTLIBOPR-UHFFFAOYSA-N 0 0 347.390 2.373 10 10 EECERN COc1ccc(N(C)CCN(C)Cc2nsc(N(C)C)n2)cc1 ZINC000844400642 789069186 /nfs/dbraw/zinc/06/91/86/789069186.db2.gz FEXGGSLKXJQIJX-UHFFFAOYSA-N 0 0 335.477 2.181 10 10 EECERN Cc1nn(CC2CC2)c(C)c1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000845832378 789962803 /nfs/dbraw/zinc/96/28/03/789962803.db2.gz CEJJSNMZTJUWLN-UHFFFAOYSA-N 0 0 343.427 2.223 10 10 EECERN CC(=O)NCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000186411314 792601192 /nfs/dbraw/zinc/60/11/92/792601192.db2.gz CGLXZQAKQLJCHX-JTQLQIEISA-N 0 0 348.424 2.156 10 10 EECERN COc1ccc2ccc(O)c(CN3CCS(=O)(=O)[C@H](C)C3)c2c1 ZINC000151602165 793994107 /nfs/dbraw/zinc/99/41/07/793994107.db2.gz TVEDPILEWPZGAJ-GFCCVEGCSA-N 0 0 335.425 2.173 10 10 EECERN CN(C)c1ccc(CNC(=O)NCC[C@@H](N(C)C)C(F)(F)F)cc1 ZINC000913926889 794590378 /nfs/dbraw/zinc/59/03/78/794590378.db2.gz OZLMHPWPOOYHHK-CQSZACIVSA-N 0 0 346.397 2.434 10 10 EECERN CCc1cnc(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)s1 ZINC000262666706 798326431 /nfs/dbraw/zinc/32/64/31/798326431.db2.gz KMJXIWLDGQDLQD-UHFFFAOYSA-N 0 0 330.457 2.179 10 10 EECERN Cc1cc(C)n(-c2ccc(C(=O)NCc3cc(O)ccc3O)cn2)n1 ZINC001176747795 798547462 /nfs/dbraw/zinc/54/74/62/798547462.db2.gz AWJADIBNRMIEKX-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN Cc1cc(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC001178286209 799382280 /nfs/dbraw/zinc/38/22/80/799382280.db2.gz GJRGRSAOUVWOPE-FFGGFLGDSA-N 0 0 348.830 2.362 10 10 EECERN C=CC(=O)Nc1ccc(O)c(C(=O)NCc2c(O)cccc2F)c1 ZINC001178412856 799466858 /nfs/dbraw/zinc/46/68/58/799466858.db2.gz IMNBIBOZCGZHLX-UHFFFAOYSA-N 0 0 330.315 2.291 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(OC)CCSC2)c1 ZINC000925364914 803284879 /nfs/dbraw/zinc/28/48/79/803284879.db2.gz WBUSOMAWYKOTQQ-ZBEGNZNMSA-N 0 0 340.445 2.283 10 10 EECERN COC(=O)[C@]12C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]1COCC2 ZINC000793344333 810257609 /nfs/dbraw/zinc/25/76/09/810257609.db2.gz RYBKOUQELBILJR-MEDUHNTESA-N 0 0 343.782 2.196 10 10 EECERN CC(C)n1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000794246869 810728841 /nfs/dbraw/zinc/72/88/41/810728841.db2.gz MWNRMWWXOCDDKQ-CQSZACIVSA-N 0 0 343.431 2.187 10 10 EECERN COc1ccc(CNC(=O)CCc2nc(C(C)(C)C)no2)c(O)c1 ZINC000794376593 810802890 /nfs/dbraw/zinc/80/28/90/810802890.db2.gz GKZKCFWFUUFZJY-UHFFFAOYSA-N 0 0 333.388 2.330 10 10 EECERN [O-]c1c(Br)cccc1C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000808430743 812652107 /nfs/dbraw/zinc/65/21/07/812652107.db2.gz JOIKPOGXTCNRLY-ZDUSSCGKSA-N 0 0 337.217 2.415 10 10 EECERN O=C(NCc1cccc(Br)c1O)C1=C[S@@](=O)CCC1 ZINC001448958240 1093968462 /nfs/dbraw/zinc/96/84/62/1093968462.db2.gz IIQGSIRSMYPZMB-IBGZPJMESA-N 0 0 344.230 2.197 10 10 EECERN O=C(CNCC(F)(F)F)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001450716141 1095116619 /nfs/dbraw/zinc/11/66/19/1095116619.db2.gz RROBYPVASIVJQK-UHFFFAOYSA-N 0 0 349.316 2.487 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](CO)Cc2ccccc2)cc1 ZINC001444676233 1099519063 /nfs/dbraw/zinc/51/90/63/1099519063.db2.gz XUHDCOYZMWPRMZ-CQSZACIVSA-N 0 0 340.383 2.430 10 10 EECERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc(O)ccc1O ZINC001455349235 1108465701 /nfs/dbraw/zinc/46/57/01/1108465701.db2.gz PRJSVQODFRIQRN-SNVBAGLBSA-N 0 0 348.786 2.186 10 10 EECERN CCOC(=O)[C@H](C(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC001467471540 1110457024 /nfs/dbraw/zinc/45/70/24/1110457024.db2.gz IMXUDUYXGRHHHJ-KRWDZBQOSA-N 0 0 343.379 2.364 10 10 EECERN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cccc(O)c1O ZINC001471642165 1110526844 /nfs/dbraw/zinc/52/68/44/1110526844.db2.gz MBVZIEISJJJZCM-WDEREUQCSA-N 0 0 338.404 2.263 10 10 EECERN NC(=O)CSc1ccccc1C(=O)NCc1c(O)cccc1F ZINC001471974799 1110536997 /nfs/dbraw/zinc/53/69/97/1110536997.db2.gz KPNOFWXFYCOYQF-UHFFFAOYSA-N 0 0 334.372 2.039 10 10 EECERN CCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001508293340 1115475364 /nfs/dbraw/zinc/47/53/64/1115475364.db2.gz PBAWMOJEDDEZPG-AWEZNQCLSA-N 0 0 345.403 2.322 10 10 EECERN NC(=O)c1ncn(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1 ZINC001523240854 1119717864 /nfs/dbraw/zinc/71/78/64/1119717864.db2.gz FLKGWDDJLQMROD-UHFFFAOYSA-N 0 0 349.354 2.431 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)c1ccc(Cn2ccnn2)o1 ZINC001525080346 1120264698 /nfs/dbraw/zinc/26/46/98/1120264698.db2.gz AIWMRJVSAKWPRU-UHFFFAOYSA-N 0 0 344.718 2.361 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3nccnc3C)C2)cc1 ZINC001526966098 1120630081 /nfs/dbraw/zinc/63/00/81/1120630081.db2.gz YJCDFRLMGCXDQK-CYBMUJFWSA-N 0 0 327.388 2.194 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc(Cn3ccnn3)o2)cc1F ZINC001528618987 1121095282 /nfs/dbraw/zinc/09/52/82/1121095282.db2.gz GQAWQDICQIXJKK-UHFFFAOYSA-N 0 0 343.362 2.055 10 10 EECERN C/C=C(/C)C(=O)NCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001528802680 1121178709 /nfs/dbraw/zinc/17/87/09/1121178709.db2.gz KEQAKDSFUSYLNM-RABQWEHASA-N 0 0 345.403 2.394 10 10 EECERN COc1cc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)ccc1O ZINC000075261217 462700452 /nfs/dbraw/zinc/70/04/52/462700452.db2.gz WVOLKABMBHCACY-QDLSESRGSA-N 0 0 348.424 2.480 10 10 EECERN C[C@H](O)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155681585 462927669 /nfs/dbraw/zinc/92/76/69/462927669.db2.gz XLBBKTZECSAGAM-HNNXBMFYSA-N 0 0 329.444 2.365 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)[C@@H]2CCO[C@H]2C)cc1F ZINC000135596414 463181320 /nfs/dbraw/zinc/18/13/20/463181320.db2.gz IBAAOPPJXMBFTR-BLLLJJGKSA-N 0 0 344.452 2.269 10 10 EECERN CCOCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000034224897 463426870 /nfs/dbraw/zinc/42/68/70/463426870.db2.gz OODGLDFRSOEBDW-UHFFFAOYSA-N 0 0 327.336 2.322 10 10 EECERN COC(=O)[C@H]1C[C@H](OC)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000125736167 463574156 /nfs/dbraw/zinc/57/41/56/463574156.db2.gz AITJNZOHOINEMJ-ZWKOTPCHSA-N 0 0 332.444 2.439 10 10 EECERN CCOC(=O)[C@H]1CCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000276847558 463779673 /nfs/dbraw/zinc/77/96/73/463779673.db2.gz XKFREXOJGRVTOH-IUCKJTJTSA-N 0 0 348.355 2.313 10 10 EECERN C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Br)cc(F)c1[O-] ZINC000185974009 463915473 /nfs/dbraw/zinc/91/54/73/463915473.db2.gz GZQCSIRMGMRWJK-MWLCHTKSSA-N 0 0 347.228 2.275 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)Cn1cncn1 ZINC000283554712 463923083 /nfs/dbraw/zinc/92/30/83/463923083.db2.gz FIPLZYSLJQOOCY-CQSZACIVSA-N 0 0 331.420 2.384 10 10 EECERN Cn1cc([C@@H](NC(=O)NCc2ccccc2O)C(F)(F)F)cn1 ZINC000278189839 463957357 /nfs/dbraw/zinc/95/73/57/463957357.db2.gz BVWPBRHCBPWXTN-GFCCVEGCSA-N 0 0 328.294 2.229 10 10 EECERN CC1(C)CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1 ZINC000278198097 463958640 /nfs/dbraw/zinc/95/86/40/463958640.db2.gz FLKVVASOWHWXSY-INIZCTEOSA-N 0 0 336.407 2.236 10 10 EECERN CN(C)c1ccc(CN2CC[C@@H](NC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280352779 464198856 /nfs/dbraw/zinc/19/88/56/464198856.db2.gz TZEKFJMMWZHFHA-LLVKDONJSA-N 0 0 330.354 2.014 10 10 EECERN Cc1nn(C)c(C)c1CN1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180107223 464243768 /nfs/dbraw/zinc/24/37/68/464243768.db2.gz YPXSCZBBKBTVPG-UHFFFAOYSA-N 0 0 332.423 2.199 10 10 EECERN Cc1cc(C(=O)N2CC[C@H](NC(N)=O)C2)c(C)n1-c1ccccc1C ZINC000270681972 464263380 /nfs/dbraw/zinc/26/33/80/464263380.db2.gz UUIRXTIJIHSHLV-HNNXBMFYSA-N 0 0 340.427 2.285 10 10 EECERN [O-]c1cc(F)c(Cl)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000294238432 464440550 /nfs/dbraw/zinc/44/05/50/464440550.db2.gz MSPYRHYBIQGBQM-GFCCVEGCSA-N 0 0 328.815 2.339 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)cc1F ZINC000189188590 464453063 /nfs/dbraw/zinc/45/30/63/464453063.db2.gz VWKLUCMYIYTGRE-UKRRQHHQSA-N 0 0 336.407 2.298 10 10 EECERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276120589 464815670 /nfs/dbraw/zinc/81/56/70/464815670.db2.gz YQWSUVLDYMBGRX-GUYCJALGSA-N 0 0 338.473 2.224 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](c4cc[nH]n4)C3)cc2N1 ZINC000301986904 466073244 /nfs/dbraw/zinc/07/32/44/466073244.db2.gz MTJCKSYUSVYAQG-JTQLQIEISA-N 0 0 343.343 2.033 10 10 EECERN CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC(C)(C)O1 ZINC000302677109 466164663 /nfs/dbraw/zinc/16/46/63/466164663.db2.gz QFQGJJALTYNQAL-UHFFFAOYSA-N 0 0 335.360 2.320 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](OCC4CC4)C3)cc2N1 ZINC000372267179 466260338 /nfs/dbraw/zinc/26/03/38/466260338.db2.gz JJVRPHNUEBGNCL-LBPRGKRZSA-N 0 0 347.371 2.321 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000528825050 467764645 /nfs/dbraw/zinc/76/46/45/467764645.db2.gz KXLJNBHTZHMNOJ-AWEZNQCLSA-N 0 0 344.415 2.073 10 10 EECERN COC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000298992173 523960906 /nfs/dbraw/zinc/96/09/06/523960906.db2.gz NNNOELSNFCECLB-AWEZNQCLSA-N 0 0 327.384 2.124 10 10 EECERN CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(N)=O ZINC000708155628 568417141 /nfs/dbraw/zinc/41/71/41/568417141.db2.gz DBLNQWMYPNAKPF-SNVBAGLBSA-N 0 0 335.629 2.408 10 10 EECERN O=C(N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1)C1=CC(=O)CS1 ZINC000765158962 577496137 /nfs/dbraw/zinc/49/61/37/577496137.db2.gz WGKFEAUVJVWIDX-CQSZACIVSA-N 0 0 342.380 2.287 10 10 EECERN Cn1nccc1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000768031199 577549232 /nfs/dbraw/zinc/54/92/32/577549232.db2.gz NGUMNSNJBJRTDK-UHFFFAOYSA-N 0 0 325.368 2.490 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 ZINC000761090306 577676383 /nfs/dbraw/zinc/67/63/83/577676383.db2.gz JESKTYIVJKBISF-KRWDZBQOSA-N 0 0 333.457 2.460 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000755087111 577819307 /nfs/dbraw/zinc/81/93/07/577819307.db2.gz ZDKGNNJYHSGPPO-UHFFFAOYSA-N 0 0 342.443 2.242 10 10 EECERN COC(=O)CN(C/C=C(\C)C(=O)OC)Cc1cc(Cl)ccc1O ZINC000748818025 577967459 /nfs/dbraw/zinc/96/74/59/577967459.db2.gz QRQVRQUNPOKJRK-IZZDOVSWSA-N 0 0 341.791 2.140 10 10 EECERN Cc1cc(C(=O)NCCNC(N)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000749395459 577975691 /nfs/dbraw/zinc/97/56/91/577975691.db2.gz FPFYDNZBFORDDJ-UHFFFAOYSA-N 0 0 328.416 2.109 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)NCC[S@](=O)CC)cc1 ZINC000735109986 578135151 /nfs/dbraw/zinc/13/51/51/578135151.db2.gz HSUVAOKFHRQZJZ-HSZRJFAPSA-N 0 0 339.505 2.443 10 10 EECERN COC(=O)[C@@H](NCc1cc(C)cc(OC)c1O)c1cccc(O)c1 ZINC000894542277 682962543 /nfs/dbraw/zinc/96/25/43/682962543.db2.gz IRVVRTVUEULQRR-INIZCTEOSA-N 0 0 331.368 2.419 10 10 EECERN COC(=O)C12CC(C1)CN2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898672807 693416080 /nfs/dbraw/zinc/41/60/80/693416080.db2.gz HYDQHJOONPNHRP-UHFFFAOYSA-N 0 0 333.365 2.090 10 10 EECERN CCC(=O)N(C)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001745726282 1182488663 /nfs/dbraw/zinc/48/86/63/1182488663.db2.gz LPWRDRWHHNUYBI-GFCCVEGCSA-N 0 0 345.403 2.180 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000115490637 1224445150 /nfs/dbraw/zinc/44/51/50/1224445150.db2.gz RKKVRCHHCBABHD-OAHLLOKOSA-N 0 0 339.439 2.496 10 10 EECERN COc1ccc(N2CCCN(C(=O)[C@@H](C)c3cncnc3)CC2)cc1 ZINC000863860718 1197903590 /nfs/dbraw/zinc/90/35/90/1197903590.db2.gz UWLUHGQYSJPIKL-HNNXBMFYSA-N 0 0 340.427 2.328 10 10 EECERN COc1ccc(N2CCC(NC(=O)C3CCN(OC)CC3)CC2)cc1 ZINC000865115318 1198091789 /nfs/dbraw/zinc/09/17/89/1198091789.db2.gz JYNNNBROFXJRQI-UHFFFAOYSA-N 0 0 347.459 2.054 10 10 EECERN COc1ccc(N2CC[C@H](N3C(=O)N4C5CCC4(CC5)C3=O)C2)cc1 ZINC000865313517 1198164814 /nfs/dbraw/zinc/16/48/14/1198164814.db2.gz ZCUUBOMXLPYLMT-HVEKOLDVSA-N 0 0 341.411 2.233 10 10 EECERN COC(=O)c1cc(OCc2cnc(OC)nc2C)ccc1N(C)C ZINC000865395504 1198195076 /nfs/dbraw/zinc/19/50/76/1198195076.db2.gz SQGPOUUFJUDWTF-UHFFFAOYSA-N 0 0 331.372 2.225 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(CC(C)C)CCNC1=O ZINC000865904915 1198420556 /nfs/dbraw/zinc/42/05/56/1198420556.db2.gz UMZXTLZUWAPTOU-IBGZPJMESA-N 0 0 331.460 2.230 10 10 EECERN CCS(=O)(=O)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825748762 1198982230 /nfs/dbraw/zinc/98/22/30/1198982230.db2.gz IRGJEXHJNSETGT-UHFFFAOYSA-N 0 0 348.468 2.188 10 10 EECERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N3Cc4cccc(O)c4C3)[C@@H]2C1 ZINC000875587886 1199308511 /nfs/dbraw/zinc/30/85/11/1199308511.db2.gz KVYMNWOMMZOJSR-YSVLISHTSA-N 0 0 343.427 2.064 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)Nc2nn(C)cc2C)cc1 ZINC000826024271 1200282157 /nfs/dbraw/zinc/28/21/57/1200282157.db2.gz XWLCTBRJMUDBGH-UHFFFAOYSA-N 0 0 331.420 2.337 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H](OC)C3CCC3)CC2)c(OC)c1 ZINC000870166850 1200531441 /nfs/dbraw/zinc/53/14/41/1200531441.db2.gz WNOOQKIHCNYEEZ-SFHVURJKSA-N 0 0 348.443 2.168 10 10 EECERN COc1ccc(CNC(=O)[C@H]2CCCN2CC(F)(F)F)c(O)c1 ZINC000812561308 1200783326 /nfs/dbraw/zinc/78/33/26/1200783326.db2.gz JXBVSILHOJCMKF-GFCCVEGCSA-N 0 0 332.322 2.044 10 10 EECERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201491 1201098664 /nfs/dbraw/zinc/09/86/64/1201098664.db2.gz WDOJAESRVLFMSO-BXUZGUMPSA-N 0 0 334.441 2.182 10 10 EECERN CC(C)C[C@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCNC1=O ZINC000866769520 1201601899 /nfs/dbraw/zinc/60/18/99/1201601899.db2.gz MOGRJKNYYHXRMC-HXUWFJFHSA-N 0 0 344.455 2.440 10 10 EECERN C[C@H](NC(=O)NCC(C)(C)C(=O)N1CCCC1)c1ccccc1O ZINC000868814765 1201886033 /nfs/dbraw/zinc/88/60/33/1201886033.db2.gz ISZJAOLUJFRNIH-ZDUSSCGKSA-N 0 0 333.432 2.401 10 10 EECERN COc1ccc(CNC(=O)NC[C@@H]2CCC23CCOCC3)c(O)c1 ZINC000869030331 1201925714 /nfs/dbraw/zinc/92/57/14/1201925714.db2.gz PZKITHWNKTYPHA-AWEZNQCLSA-N 0 0 334.416 2.407 10 10 EECERN COc1ccc(C[NH2+]C/C=C/CNC(=O)c2oncc2C)cc1C ZINC001274481363 1205053689 /nfs/dbraw/zinc/05/36/89/1205053689.db2.gz GSNCETLOAXYEPF-SNAWJCMRSA-N 0 0 329.400 2.376 10 10 EECERN Cn1nc(C(F)(F)F)cc1CNC(=O)NCc1c(O)cccc1F ZINC000926570048 1206228146 /nfs/dbraw/zinc/22/81/46/1206228146.db2.gz JLLZYEVBEPBSEU-UHFFFAOYSA-N 0 0 346.284 2.283 10 10 EECERN CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1c(O)cccc1F ZINC000928709218 1206413652 /nfs/dbraw/zinc/41/36/52/1206413652.db2.gz YXCLUVRLKXZMTB-GFCCVEGCSA-N 0 0 345.436 2.389 10 10 EECERN Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)NCc1c(O)cccc1F ZINC000928710484 1206414032 /nfs/dbraw/zinc/41/40/32/1206414032.db2.gz TWJPXLQDRDYLKB-UHFFFAOYSA-N 0 0 349.362 2.150 10 10 EECERN O=C(C[C@H]1CC[C@H](C2CC2)O1)NCc1ccc(N2CCOCC2)cc1 ZINC000930522921 1206564493 /nfs/dbraw/zinc/56/44/93/1206564493.db2.gz KKVVPTBMAFXBSQ-RTBURBONSA-N 0 0 344.455 2.487 10 10 EECERN COc1cccc(CNC(=O)c2c[nH]cc2-c2cnn(C)c2)c1O ZINC000779000799 1208432179 /nfs/dbraw/zinc/43/21/79/1208432179.db2.gz GLFQZIGRMIZUQZ-UHFFFAOYSA-N 0 0 326.356 2.059 10 10 EECERN Cc1ccncc1CN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000796508532 1220324637 /nfs/dbraw/zinc/32/46/37/1220324637.db2.gz IIHAAQNXTDSAEB-UHFFFAOYSA-N 0 0 326.444 2.204 10 10 EECERN C/C(=C\C(=O)NCc1ccc(N2CCCC2)cc1)CN1CCOCC1 ZINC000900187372 1234075099 /nfs/dbraw/zinc/07/50/99/1234075099.db2.gz GRDNCRHQWTZBEY-SAPNQHFASA-N 0 0 343.471 2.182 10 10 EECERN Cc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000900337465 1234233755 /nfs/dbraw/zinc/23/37/55/1234233755.db2.gz HFRGVGSVZBUXDE-UHFFFAOYSA-N 0 0 334.807 2.138 10 10 EECERN C[C@@H](NC(=O)N1CCO[C@@H](C(F)F)C1)c1ccc(N(C)C)cc1 ZINC000801049974 1235012469 /nfs/dbraw/zinc/01/24/69/1235012469.db2.gz AHPJFECMZHMBBH-BXUZGUMPSA-N 0 0 327.375 2.489 10 10 EECERN COc1ccc([C@@]2(C(=O)N(C)Cc3ccccc3O)C[C@@H](O)C2)cc1 ZINC000901051863 1235164074 /nfs/dbraw/zinc/16/40/74/1235164074.db2.gz FWVROCAHCWQBOF-UKIBZPOASA-N 0 0 341.407 2.452 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3)C2)cc1 ZINC000850536557 1277261075 /nfs/dbraw/zinc/26/10/75/1277261075.db2.gz LAXOXQZJLXDIGP-HNNXBMFYSA-N 0 0 339.395 2.029 10 10 EECERN C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850563507 1277266869 /nfs/dbraw/zinc/26/68/69/1277266869.db2.gz ZCLJRSHJALVKDV-JSGCOSHPSA-N 0 0 348.403 2.241 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3sc(N)nc3C)C2)cc1 ZINC000851640492 1277696935 /nfs/dbraw/zinc/69/69/35/1277696935.db2.gz WGQLAOISPPIGTB-NSHDSACASA-N 0 0 332.429 2.051 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000867301871 1285499203 /nfs/dbraw/zinc/49/92/03/1285499203.db2.gz HBMGJVDGGCYKJX-RYUDHWBXSA-N 0 0 329.400 2.238 10 10 EECERN COCCN(C[C@@H](OC)[C@H]1CCOC1)c1ccc(OC)c(OC)c1 ZINC000851848181 1291884942 /nfs/dbraw/zinc/88/49/42/1291884942.db2.gz ZMYWAHKGTVOINU-KBXCAEBGSA-N 0 0 339.432 2.208 10 10 EECERN C[C@H](NC(=O)N[C@@H](CO)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000852012608 1291953238 /nfs/dbraw/zinc/95/32/38/1291953238.db2.gz MYHQUMXZUJODKV-KSSFIOAISA-N 0 0 347.459 2.044 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC3CCSCC3)C2)cc1 ZINC000852125977 1292002276 /nfs/dbraw/zinc/00/22/76/1292002276.db2.gz QDBISGQHEKVTIF-AWEZNQCLSA-N 0 0 335.473 2.469 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(O)c3)C2)cc1 ZINC000852181257 1292029519 /nfs/dbraw/zinc/02/95/19/1292029519.db2.gz FUADUQDLTSFOBU-OAHLLOKOSA-N 0 0 341.411 2.479 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[C@H](CO)C3)C2)cc1 ZINC000854296656 1292708117 /nfs/dbraw/zinc/70/81/17/1292708117.db2.gz FQEBLIWPZJFSBK-JYJNAYRXSA-N 0 0 347.459 2.124 10 10 EECERN CCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCOC1 ZINC000854297661 1292708807 /nfs/dbraw/zinc/70/88/07/1292708807.db2.gz QBDVNMAKXXAFJG-GOEBONIOSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CC[C@H](CO)CC3)C2)cc1 ZINC000854298970 1292710527 /nfs/dbraw/zinc/71/05/27/1292710527.db2.gz CZAVNOMFBJAOHF-BZUAXINKSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H](CO)CC(C)C)C2)cc1 ZINC000854299838 1292711540 /nfs/dbraw/zinc/71/15/40/1292711540.db2.gz SDSZFKBGPLOTRN-NVXWUHKLSA-N 0 0 349.475 2.322 10 10 EECERN CO[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCOC1 ZINC000855208190 1293111470 /nfs/dbraw/zinc/11/14/70/1293111470.db2.gz XJRUOUDDCMYZJF-NVXWUHKLSA-N 0 0 343.427 2.270 10 10 EECERN Cc1cc(CC(=O)N(C)Cc2cn(C)nn2)c(C)n1-c1ccccc1 ZINC000855853055 1293344402 /nfs/dbraw/zinc/34/44/02/1293344402.db2.gz KQPWXGIHQACVEZ-UHFFFAOYSA-N 0 0 337.427 2.424 10 10 EECERN CO[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856209569 1293445190 /nfs/dbraw/zinc/44/51/90/1293445190.db2.gz SMMKRYJQWIUGIH-CRAIPNDOSA-N 0 0 332.444 2.079 10 10 EECERN C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@](C)(C(F)F)O1 ZINC000856481936 1293542686 /nfs/dbraw/zinc/54/26/86/1293542686.db2.gz DWHHIZBNQRFYFO-KSQWJUCMSA-N 0 0 327.327 2.382 10 10 EECERN O=C(COCc1cc[nH]c(=O)c1)NCc1ccc(N2CCCC2)cc1 ZINC000858452351 1294120425 /nfs/dbraw/zinc/12/04/25/1294120425.db2.gz KZIMSFXFNUOVDI-UHFFFAOYSA-N 0 0 341.411 2.220 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(C)ccc2O)[C@H]1n1cccn1 ZINC000858494807 1294133536 /nfs/dbraw/zinc/13/35/36/1294133536.db2.gz ODKWGCMQBLFUKD-DJIMGWMZSA-N 0 0 344.415 2.115 10 10 EECERN CCO[C@@H](CS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000859006761 1294291286 /nfs/dbraw/zinc/29/12/86/1294291286.db2.gz MOHVQSOOGLQVSL-ZBEGNZNMSA-N 0 0 343.445 2.196 10 10 EECERN COC(=O)[C@H](CF)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000861728400 1295520528 /nfs/dbraw/zinc/52/05/28/1295520528.db2.gz GVXOQIZAKJERTH-INIZCTEOSA-N 0 0 346.358 2.148 10 10 EECERN Cc1cn2c(n1)C[C@@H](C(=O)NCc1ccc3cccnc3c1O)CC2 ZINC000862025058 1295659295 /nfs/dbraw/zinc/65/92/95/1295659295.db2.gz GMGILTXRVXWMAW-AWEZNQCLSA-N 0 0 336.395 2.324 10 10 EECERN COC[C@]1(C)CN(Cc2c(O)cccc2Br)CCO1 ZINC000862552345 1295879524 /nfs/dbraw/zinc/87/95/24/1295879524.db2.gz WVTKFARYTWNGQV-AWEZNQCLSA-N 0 0 330.222 2.392 10 10 EECERN CN(C)c1ccc(CN2C(=O)N[C@@H](C[C@@H]3CCCOC3)C2=O)cc1F ZINC000863503192 1296312015 /nfs/dbraw/zinc/31/20/15/1296312015.db2.gz YIDAEUDYAFZXEI-ZFWWWQNUSA-N 0 0 349.406 2.129 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](C[C@@H]2CCCOC2)C1=O ZINC000863505850 1296315226 /nfs/dbraw/zinc/31/52/26/1296315226.db2.gz XCQYSBKMESJHNX-WMLDXEAASA-N 0 0 345.443 2.298 10 10 EECERN Cn1ncc(C(=O)NCc2cccc(Br)c2O)c1Cl ZINC001139974621 1314791623 /nfs/dbraw/zinc/79/16/23/1314791623.db2.gz IPNDYSLUVRSKHA-UHFFFAOYSA-N 0 0 344.596 2.472 10 10 EECERN O=C([O-])[C@]1(C[NH2+]Cc2c(O)cccc2Br)CCCOC1 ZINC001118917820 1308958508 /nfs/dbraw/zinc/95/85/08/1308958508.db2.gz CXNPIJYJIODEBF-AWEZNQCLSA-N 0 0 344.205 2.126 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)NC1CCC=CCC1 ZINC001119538250 1309103452 /nfs/dbraw/zinc/10/34/52/1309103452.db2.gz OFKHDDAFDCTRFF-UHFFFAOYSA-N 0 0 339.486 2.357 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001124549737 1310915724 /nfs/dbraw/zinc/91/57/24/1310915724.db2.gz OSUGFRVGSKXUPF-INIZCTEOSA-N 0 0 341.455 2.256 10 10 EECERN Cc1cc(CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]n1 ZINC001142504092 1315641007 /nfs/dbraw/zinc/64/10/07/1315641007.db2.gz PQCZHOUKPOVBIP-HNNXBMFYSA-N 0 0 342.443 2.365 10 10 EECERN CC[C@H](C)C[C@H](NCc1cc(OC)c(OC)cc1O)C(=O)OC ZINC000843416545 1315911332 /nfs/dbraw/zinc/91/13/32/1315911332.db2.gz UUYWTDIKTTXAJP-AAEUAGOBSA-N 0 0 325.405 2.477 10 10 EECERN COC(=O)[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccnn1C ZINC000843430042 1315913601 /nfs/dbraw/zinc/91/36/01/1315913601.db2.gz MWHIBILABHWARU-KEGWNNHHSA-N 0 0 328.416 2.003 10 10 EECERN C[C@@H]1C(=O)N(C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843435144 1315914819 /nfs/dbraw/zinc/91/48/19/1315914819.db2.gz IQSRZZIFXJVSTF-CYBMUJFWSA-N 0 0 332.404 2.205 10 10 EECERN O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1Cc2cccc(O)c2C1 ZINC001152573184 1316691459 /nfs/dbraw/zinc/69/14/59/1316691459.db2.gz JXFIBGPLGFCXQH-UHFFFAOYSA-N 0 0 347.374 2.153 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)NCC[C@@H](O)C(C)C)C2)cc1 ZINC001252116485 1317557266 /nfs/dbraw/zinc/55/72/66/1317557266.db2.gz SBANANWHZYUXCH-MAUKXSAKSA-N 0 0 349.475 2.228 10 10 EECERN COCc1ncc(C(=O)NCc2ccc3cccnc3c2O)s1 ZINC001162612578 1320912282 /nfs/dbraw/zinc/91/22/82/1320912282.db2.gz MJVISIJJQRELFN-UHFFFAOYSA-N 0 0 329.381 2.473 10 10 EECERN CCOC(=O)C1=CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001166706383 1321771169 /nfs/dbraw/zinc/77/11/69/1321771169.db2.gz VLJWUXJPFLIQSD-CYBMUJFWSA-N 0 0 330.344 2.231 10 10 EECERN C[C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)c2ncnn21 ZINC001262201077 1322254252 /nfs/dbraw/zinc/25/42/52/1322254252.db2.gz NHGPVDDXJMGIBJ-GUYCJALGSA-N 0 0 327.432 2.035 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001294869918 1329175347 /nfs/dbraw/zinc/17/53/47/1329175347.db2.gz QOYLZCIMHSOQDR-UHFFFAOYSA-N 0 0 339.351 2.418 10 10 EECERN Cc1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001290846650 1328285351 /nfs/dbraw/zinc/28/53/51/1328285351.db2.gz GOMDAMQKHLTGLO-CYBMUJFWSA-N 0 0 347.438 2.455 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)n[nH]2)c1 ZINC001294936621 1329765527 /nfs/dbraw/zinc/76/55/27/1329765527.db2.gz IBYJJZPDEUUGGH-SSDOTTSWSA-N 0 0 340.177 2.377 10 10 EECERN Cc1ccc(C[C@@H](CO)NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001296431305 1329890515 /nfs/dbraw/zinc/89/05/15/1329890515.db2.gz MCBBWBVIPIIMJX-INIZCTEOSA-N 0 0 340.383 2.491 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ncc(Cl)cn1 ZINC001301349452 1331297074 /nfs/dbraw/zinc/29/70/74/1331297074.db2.gz GSNRTFWZMMDKIE-UHFFFAOYSA-N 0 0 346.818 2.021 10 10 EECERN CCCC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC001319016793 1332637682 /nfs/dbraw/zinc/63/76/82/1332637682.db2.gz JGWZTIPPXVKTJJ-UHFFFAOYSA-N 0 0 340.445 2.416 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC001323839464 1333551216 /nfs/dbraw/zinc/55/12/16/1333551216.db2.gz VQXHKBNENUAWAI-BJWYYQGGSA-N 0 0 329.444 2.064 10 10 EECERN O=C([O-])[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1c(O)cccc1Br ZINC001329683503 1334696305 /nfs/dbraw/zinc/69/63/05/1334696305.db2.gz WVNFUTAYZMCOGO-JOYOIKCWSA-N 0 0 344.205 2.124 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC001330967599 1334936993 /nfs/dbraw/zinc/93/69/93/1334936993.db2.gz FIOBMZRIIYRROS-KEYYUXOJSA-N 0 0 347.459 2.004 10 10 EECERN CN(C)c1ccc(CN(C(=O)C(=O)NCC(C)(C)F)C2CC2)cc1 ZINC001331998619 1335701046 /nfs/dbraw/zinc/70/10/46/1335701046.db2.gz AZOGUVYCOHXFDG-UHFFFAOYSA-N 0 0 335.423 2.108 10 10 EECERN Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1-c1cnn(C)c1 ZINC001557085610 1342440701 /nfs/dbraw/zinc/44/07/01/1342440701.db2.gz QWKAXGKOIMZCBD-UHFFFAOYSA-N 0 0 340.383 2.169 10 10 EECERN Cc1c[nH]c(=O)n1-c1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001558533374 1342480439 /nfs/dbraw/zinc/48/04/39/1342480439.db2.gz DRTPMZLIWNGONY-UHFFFAOYSA-N 0 0 339.351 2.228 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1ncccn1 ZINC001565297436 1342553822 /nfs/dbraw/zinc/55/38/22/1342553822.db2.gz XYANGLYEVBCQDH-UHFFFAOYSA-N 0 0 325.416 2.418 10 10 EECERN Cc1cc(CC(=O)N[C@@H](CO)c2ncc[nH]2)c(C)n1-c1ccccc1 ZINC001597918272 1349933445 /nfs/dbraw/zinc/93/34/45/1349933445.db2.gz QNNBMTKEDWHAJL-KRWDZBQOSA-N 0 0 338.411 2.210 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2n[nH]nc2n1 ZINC001623549836 1352399771 /nfs/dbraw/zinc/39/97/71/1352399771.db2.gz LRBUMIGCGPMYEJ-UHFFFAOYSA-N 0 0 336.399 2.225 10 10 EECERN COc1cc2nc(NC(=O)Cc3ccc(O)c(O)c3)[nH]c2cc1OC ZINC001627648456 1352504887 /nfs/dbraw/zinc/50/48/87/1352504887.db2.gz KAHWPDQLVHVMKT-UHFFFAOYSA-N 0 0 343.339 2.173 10 10 EECERN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001635794083 1352652520 /nfs/dbraw/zinc/65/25/20/1352652520.db2.gz VMICRPFNBFOAPK-GFCCVEGCSA-N 0 0 348.424 2.100 10 10 EECERN NC(=O)Cc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001635817979 1352653184 /nfs/dbraw/zinc/65/31/84/1352653184.db2.gz HFUWGPQMPSJFIB-UHFFFAOYSA-N 0 0 347.802 2.073 10 10 EECERN Cc1ccc(C(=O)Nc2n[nH]cc2C(=O)OC(C)(C)C)c(O)c1O ZINC001643700253 1352751158 /nfs/dbraw/zinc/75/11/58/1352751158.db2.gz WMCDFYLQBCABEU-UHFFFAOYSA-N 0 0 333.344 2.337 10 10 EECERN CCc1noc([C@H]2CC[C@@H](NC(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC001646201170 1352820924 /nfs/dbraw/zinc/82/09/24/1352820924.db2.gz CDLJOYJXEKCUJO-WDEREUQCSA-N 0 0 331.372 2.418 10 10 EECERN O=C(NCc1ccnc(OCC2CC2)c1)c1c(F)ccc(O)c1O ZINC001648537967 1353433721 /nfs/dbraw/zinc/43/37/21/1353433721.db2.gz IWVQJWHPECDTAQ-UHFFFAOYSA-N 0 0 332.331 2.351 10 10 EECERN Cn1c(CO)nc2cc(C(=O)NCc3cccc(Cl)c3O)ccc21 ZINC001648608775 1353436114 /nfs/dbraw/zinc/43/61/14/1353436114.db2.gz MAWDZBGIDJRFAG-UHFFFAOYSA-N 0 0 345.786 2.355 10 10 EECERN COc1cc(-c2noc(CN[C@@H](C)c3ccccc3O)n2)ncn1 ZINC001655349268 1354171097 /nfs/dbraw/zinc/17/10/97/1354171097.db2.gz FXSRMNHQWJWGSV-JTQLQIEISA-N 0 0 327.344 2.092 10 10 EECERN CO[C@@]1(CNC(=O)NCc2ccc(N(C)C)cc2C)CCSC1 ZINC000919082163 769575903 /nfs/dbraw/zinc/57/59/03/769575903.db2.gz WEHJPCLOHXRLEF-QGZVFWFLSA-N 0 0 337.489 2.382 10 10 EECERN COc1ccc(O)c(CNC(=O)c2cnn(CCC(F)(F)F)c2)c1 ZINC000183653255 781450070 /nfs/dbraw/zinc/45/00/70/781450070.db2.gz CSHZKXOOQGYRCS-UHFFFAOYSA-N 0 0 343.305 2.480 10 10 EECERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000906113017 783715753 /nfs/dbraw/zinc/71/57/53/783715753.db2.gz PUICAYPAUNVTMU-DLBZAZTESA-N 0 0 330.428 2.492 10 10 EECERN O=C(NCCCSc1nccs1)[C@@H]1CC(c2ccccn2)=NO1 ZINC000906669938 784067473 /nfs/dbraw/zinc/06/74/73/784067473.db2.gz HMFZAHNXFTXBHS-ZDUSSCGKSA-N 0 0 348.453 2.330 10 10 EECERN Cn1ccc(CCC(=O)NCc2cc(Br)ccc2O)n1 ZINC000816653708 784171455 /nfs/dbraw/zinc/17/14/55/784171455.db2.gz FBWVWONXLVSJHR-UHFFFAOYSA-N 0 0 338.205 2.137 10 10 EECERN COc1ccc(N2CCCN(C(=O)/C=C/[C@@H]3CCCO3)CC2)cc1 ZINC000819142660 785420022 /nfs/dbraw/zinc/42/00/22/785420022.db2.gz PEXJGCDETFVECP-BBVFFXRHSA-N 0 0 330.428 2.469 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)COCc2nccn2C)cc1 ZINC000819974273 785727680 /nfs/dbraw/zinc/72/76/80/785727680.db2.gz LYQVQOOPUNBMIP-UHFFFAOYSA-N 0 0 344.459 2.442 10 10 EECERN COc1ccc(N2CC[C@@H](CNc3nc(C(N)=O)cs3)C2)cc1 ZINC000819933963 785730973 /nfs/dbraw/zinc/73/09/73/785730973.db2.gz FNZHQSDIDOZGRJ-NSHDSACASA-N 0 0 332.429 2.189 10 10 EECERN CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000910551687 786868939 /nfs/dbraw/zinc/86/89/39/786868939.db2.gz DWEQWWZTNJLGOM-NSHDSACASA-N 0 0 348.424 2.442 10 10 EECERN COc1cccc(CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1O ZINC000822361552 787168668 /nfs/dbraw/zinc/16/86/68/787168668.db2.gz KQAVUSBYETVWOZ-DOMZBBRYSA-N 0 0 342.342 2.014 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3c(n2)OCCO3)c1 ZINC000825032879 788405647 /nfs/dbraw/zinc/40/56/47/788405647.db2.gz GUJDZGVAOJAQNP-JTQLQIEISA-N 0 0 345.355 2.450 10 10 EECERN C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc(Br)c1[O-] ZINC000825130389 788450435 /nfs/dbraw/zinc/45/04/35/788450435.db2.gz XDVBQTQIDXJZNA-ZWNOBZJWSA-N 0 0 330.222 2.126 10 10 EECERN COc1ccc(N(C)CCN(C)CN2C[C@H]3CCC[C@H]3C2=O)cc1 ZINC000844725507 789329081 /nfs/dbraw/zinc/32/90/81/789329081.db2.gz LCJAJMSGLGMELV-CRAIPNDOSA-N 0 0 331.460 2.279 10 10 EECERN COc1c([O-])c(C[NH2+][C@H]2CNc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000844905765 789445314 /nfs/dbraw/zinc/44/53/14/789445314.db2.gz NNUNOZKPGGTPPU-CYBMUJFWSA-N 0 0 329.356 2.435 10 10 EECERN CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000844912227 789484479 /nfs/dbraw/zinc/48/44/79/789484479.db2.gz FHLKIRSCDLPVTC-SFHVURJKSA-N 0 0 347.459 2.234 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000172555779 791722438 /nfs/dbraw/zinc/72/24/38/791722438.db2.gz OMJYMLQPIAXUJY-HOTGVXAUSA-N 0 0 346.475 2.376 10 10 EECERN O=S(=O)(CC1(F)CC1)NCc1cccc(Br)c1O ZINC000915016494 795541622 /nfs/dbraw/zinc/54/16/22/795541622.db2.gz VGKCOUOCAIMPCG-UHFFFAOYSA-N 0 0 338.198 2.076 10 10 EECERN CN1CCCc2cc(CNC(=O)NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)ccc21 ZINC000915390454 795961254 /nfs/dbraw/zinc/96/12/54/795961254.db2.gz MVYHQASSAPSTDN-KSZLIROESA-N 0 0 341.455 2.459 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001176748562 798547378 /nfs/dbraw/zinc/54/73/78/798547378.db2.gz WRJFWJLFABPNOY-JKSUJKDBSA-N 0 0 346.427 2.143 10 10 EECERN C[C@H](NC(=O)NCCOC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000922055175 798770599 /nfs/dbraw/zinc/77/05/99/798770599.db2.gz NGIKKIKXGJNATM-AWEZNQCLSA-N 0 0 335.448 2.308 10 10 EECERN Cc1cc(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1C ZINC000922056293 798772728 /nfs/dbraw/zinc/77/27/28/798772728.db2.gz YAOFJZOXVZJTJI-AWEZNQCLSA-N 0 0 329.448 2.397 10 10 EECERN Cc1cc(C(=O)N[C@H](CO)c2ncc[nH]2)c(C)n1-c1ccc(F)cc1 ZINC001179167064 799810406 /nfs/dbraw/zinc/81/04/06/799810406.db2.gz BCDQRQABNDVYDP-MRXNPFEDSA-N 0 0 342.374 2.420 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H](O)CC(F)(F)C1 ZINC000786708525 806847313 /nfs/dbraw/zinc/84/73/13/806847313.db2.gz MZIINWILSCUULP-OAHLLOKOSA-N 0 0 339.386 2.198 10 10 EECERN COc1cccc(CNC(=O)NCC[C@@H](OC)C(F)(F)F)c1O ZINC000786852950 806919817 /nfs/dbraw/zinc/91/98/17/806919817.db2.gz MUCORIKSQWHMIM-LLVKDONJSA-N 0 0 336.310 2.167 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)COCC(F)F ZINC000787253704 807055252 /nfs/dbraw/zinc/05/52/52/807055252.db2.gz PDNISNSQCMWSCQ-SNVBAGLBSA-N 0 0 331.359 2.453 10 10 EECERN COCCN(C(=O)NCCCSc1nccs1)[C@@H]1CCOC1 ZINC000787285152 807066942 /nfs/dbraw/zinc/06/69/42/807066942.db2.gz WQVJZHGDFWUQKH-GFCCVEGCSA-N 0 0 345.490 2.072 10 10 EECERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCSC1 ZINC000805159561 811164125 /nfs/dbraw/zinc/16/41/25/811164125.db2.gz JGPSXLVNQCOLFS-SNVBAGLBSA-N 0 0 331.235 2.459 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC000808532229 812702866 /nfs/dbraw/zinc/70/28/66/812702866.db2.gz OQDCIRJCGANFNZ-YVEFUNNKSA-N 0 0 341.404 2.161 10 10 EECERN CC(=O)C(=O)COC(=O)C1(c2ccccc2Br)CC1 ZINC000808540406 812710200 /nfs/dbraw/zinc/71/02/00/812710200.db2.gz UWCZMOXLOPGAEF-UHFFFAOYSA-N 0 0 325.158 2.182 10 10 EECERN COC(=O)[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2ccc(F)cc2O1 ZINC001437269311 1089417266 /nfs/dbraw/zinc/41/72/66/1089417266.db2.gz OPXFPOWXVJZALS-OUOZUETKSA-N 0 0 342.326 2.201 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(O)cc1F ZINC001451916284 1098030962 /nfs/dbraw/zinc/03/09/62/1098030962.db2.gz KCOSDWDJICDQEM-UHFFFAOYSA-N 0 0 347.342 2.442 10 10 EECERN CN1Cc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2NC1=O ZINC001447983648 1103736663 /nfs/dbraw/zinc/73/66/63/1103736663.db2.gz UVECEDCPYJWSMV-UHFFFAOYSA-N 0 0 327.340 2.256 10 10 EECERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H](C)c1ccccc1O ZINC001454795468 1107666732 /nfs/dbraw/zinc/66/67/32/1107666732.db2.gz KQSPCMPRUUDHQY-SECBINFHSA-N 0 0 327.340 2.032 10 10 EECERN C[C@@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccccc1O ZINC001454808958 1107697287 /nfs/dbraw/zinc/69/72/87/1107697287.db2.gz ZAPNQRUJEMZYIE-SNVBAGLBSA-N 0 0 334.322 2.278 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)NCc1cc(=O)c2ccccc2[nH]1 ZINC001455050836 1108148653 /nfs/dbraw/zinc/14/86/53/1108148653.db2.gz IQNRYLGREJGWCN-VURMDHGXSA-N 0 0 336.347 2.269 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001456030054 1109057416 /nfs/dbraw/zinc/05/74/16/1109057416.db2.gz PWPSGLZUJLPTDV-SGTLLEGYSA-N 0 0 326.327 2.058 10 10 EECERN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC[C@@H](O)CO)cc1 ZINC001456721946 1109276170 /nfs/dbraw/zinc/27/61/70/1109276170.db2.gz PCSGUHWVNQVIPC-OAHLLOKOSA-N 0 0 342.399 2.251 10 10 EECERN CN(Cc1ccccc1O)c1cnc(I)nc1 ZINC001458264257 1109850450 /nfs/dbraw/zinc/85/04/50/1109850450.db2.gz SLYQZRBNWIASPU-UHFFFAOYSA-N 0 0 341.152 2.423 10 10 EECERN COc1cccc2[nH]cc(CC(=O)NCc3cc(O)ccc3O)c21 ZINC001471661037 1110527770 /nfs/dbraw/zinc/52/77/70/1110527770.db2.gz FFRXVTSXGZTLGR-UHFFFAOYSA-N 0 0 326.352 2.447 10 10 EECERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1c(O)cccc1F ZINC001471974964 1110537167 /nfs/dbraw/zinc/53/71/67/1110537167.db2.gz MUPBCOSGBGMVQD-UHFFFAOYSA-N 0 0 344.302 2.106 10 10 EECERN O=C(Cn1nnnc1-c1ccsc1)NCc1cccc(Cl)c1O ZINC001472316993 1110551654 /nfs/dbraw/zinc/55/16/54/1110551654.db2.gz QFESKHUFJZZPTK-UHFFFAOYSA-N 0 0 349.803 2.077 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1ccc(=O)[nH]n1 ZINC001478703045 1110656846 /nfs/dbraw/zinc/65/68/46/1110656846.db2.gz MDIUTZQETVSZPD-UHFFFAOYSA-N 0 0 341.415 2.124 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1CC(C)C1 ZINC001502810280 1113807660 /nfs/dbraw/zinc/80/76/60/1113807660.db2.gz GUGIRCBUBHKTED-AKJDGMEZSA-N 0 0 345.403 2.130 10 10 EECERN CC[C@H](C)C(=O)N(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001523495444 1119802697 /nfs/dbraw/zinc/80/26/97/1119802697.db2.gz NHAYMVOGBKALQI-LBPRGKRZSA-N 0 0 347.419 2.473 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001542370819 1124112840 /nfs/dbraw/zinc/11/28/40/1124112840.db2.gz FHOOZEDYFAEGLI-OAHLLOKOSA-N 0 0 336.457 2.050 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C(N)=O)c2ccccn2)cc1 ZINC001544228054 1124144596 /nfs/dbraw/zinc/14/45/96/1124144596.db2.gz WFHKMORMGYIVGF-SFHVURJKSA-N 0 0 348.406 2.446 10 10 EECERN CC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](O)C(F)F ZINC000297062266 529633486 /nfs/dbraw/zinc/63/34/86/529633486.db2.gz DDDAQIDHIZBWIC-UKRRQHHQSA-N 0 0 341.402 2.273 10 10 EECERN Cc1ccc(N2CCC(NC(=O)c3cccc(O)c3O)CC2)nc1 ZINC000193087880 237369459 /nfs/dbraw/zinc/36/94/59/237369459.db2.gz SZXPXQNNHPLRFF-UHFFFAOYSA-N 0 0 327.384 2.200 10 10 EECERN CCN(CC)C(=O)CN(CC(=O)N(CC)CC)c1ccc(OC)cc1 ZINC000298443092 465397112 /nfs/dbraw/zinc/39/71/12/465397112.db2.gz RGTIXWQZWNMIMR-UHFFFAOYSA-N 0 0 349.475 2.238 10 10 EECERN NC(=O)C1CCN(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000063463284 462646484 /nfs/dbraw/zinc/64/64/84/462646484.db2.gz ADZXLNGVPAPMKC-UHFFFAOYSA-N 0 0 344.459 2.084 10 10 EECERN COc1ccc(N2C(=O)/C(=C/N3CCOCC3)SC2=S)cc1 ZINC000005880065 462670816 /nfs/dbraw/zinc/67/08/16/462670816.db2.gz AMHWVOKTBDIJQN-RAXLEYEMSA-N 0 0 336.438 2.234 10 10 EECERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnnc2)cc1 ZINC000151360507 463518161 /nfs/dbraw/zinc/51/81/61/463518161.db2.gz ZEZDXSNITFWRIN-SFHVURJKSA-N 0 0 340.427 2.364 10 10 EECERN CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C12CCOCC2 ZINC000186306567 463972979 /nfs/dbraw/zinc/97/29/79/463972979.db2.gz FTLWCLJHEPKUHC-JKSUJKDBSA-N 0 0 336.388 2.364 10 10 EECERN COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCCC1 ZINC000279750296 464141380 /nfs/dbraw/zinc/14/13/80/464141380.db2.gz YNKOAZTXJROSEK-UHFFFAOYSA-N 0 0 338.360 2.275 10 10 EECERN COc1cccc([C@@H]2CN(C(=O)c3cccc(O)c3O)CCO2)c1 ZINC000279768691 464146704 /nfs/dbraw/zinc/14/67/04/464146704.db2.gz GAYFAAVIHQOFKP-INIZCTEOSA-N 0 0 329.352 2.320 10 10 EECERN CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccccc1O)C2 ZINC000179949150 464213654 /nfs/dbraw/zinc/21/36/54/464213654.db2.gz KWCPVHMZCDHRLB-UHFFFAOYSA-N 0 0 332.425 2.322 10 10 EECERN O=C(NCCCN1CCCC1=O)NCc1c(O)ccc2c1CCCC2 ZINC000173957067 464340112 /nfs/dbraw/zinc/34/01/12/464340112.db2.gz CYBVEDFCRNMQBL-UHFFFAOYSA-N 0 0 345.443 2.083 10 10 EECERN C[C@@H]1C[C@H](S(=O)(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000295235912 464755463 /nfs/dbraw/zinc/75/54/63/464755463.db2.gz UFTNVBUGZQGBDY-RHSMWYFYSA-N 0 0 338.473 2.274 10 10 EECERN Cc1nc(CN2CCC[N@H+](Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000183395653 464859339 /nfs/dbraw/zinc/85/93/39/464859339.db2.gz HHSMXYFOCRTOQP-UHFFFAOYSA-N 0 0 336.823 2.445 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@@](C)(C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000268325151 465016488 /nfs/dbraw/zinc/01/64/88/465016488.db2.gz OAODSKDDMQXDAJ-QQOXCAACSA-N 0 0 348.355 2.170 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCOC4(CCCC4)C3)cc2N1 ZINC000301726501 466018094 /nfs/dbraw/zinc/01/80/94/466018094.db2.gz VKNVVTUYFZJHSI-UHFFFAOYSA-N 0 0 333.344 2.075 10 10 EECERN O=C(c1cccc(O)c1O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367266981 466228254 /nfs/dbraw/zinc/22/82/54/466228254.db2.gz LPLLYJQLNDBQFH-LJQANCHMSA-N 0 0 327.380 2.264 10 10 EECERN CCCN(CC(=O)N(C)C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000299133702 521530001 /nfs/dbraw/zinc/53/00/01/521530001.db2.gz FSDWGJQNFXWWEB-VQHVLOKHSA-N 0 0 349.387 2.086 10 10 EECERN CC1(C)CN(Cc2cc(Br)ccc2O)CCS1(=O)=O ZINC000093735237 529122869 /nfs/dbraw/zinc/12/28/69/529122869.db2.gz COXSFPVVIAJBET-UHFFFAOYSA-N 0 0 348.262 2.164 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000729471410 576656296 /nfs/dbraw/zinc/65/62/96/576656296.db2.gz XLUUFGBBXOLEKT-DYLGSBMWSA-N 0 0 334.372 2.380 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@@H]3C(C)C)CC2)cc1 ZINC000771964989 577242049 /nfs/dbraw/zinc/24/20/49/577242049.db2.gz BPPQXNYUTLECLC-MOPGFXCFSA-N 0 0 345.487 2.226 10 10 EECERN C[C@@H](NC(=O)N1CCC(C(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000773614045 577354499 /nfs/dbraw/zinc/35/44/99/577354499.db2.gz XWVMLFLREHZTDZ-CQSZACIVSA-N 0 0 346.475 2.323 10 10 EECERN COCCCOC1CN(C(=O)NCCCSc2nccs2)C1 ZINC000774239534 577391135 /nfs/dbraw/zinc/39/11/35/577391135.db2.gz GKYAHLPWHOQWNV-UHFFFAOYSA-N 0 0 345.490 2.072 10 10 EECERN COc1ccc(O)c(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000775718787 577443707 /nfs/dbraw/zinc/44/37/07/577443707.db2.gz OXBIAHLZWVUNBW-QGZVFWFLSA-N 0 0 348.443 2.004 10 10 EECERN CCOC[C@H](C)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000777694844 577484986 /nfs/dbraw/zinc/48/49/86/577484986.db2.gz JQAHVBJOPXXIBI-HNNXBMFYSA-N 0 0 335.448 2.342 10 10 EECERN Oc1cc2c(cc1CN1CCO[C@H](c3cccs3)C1)[C@@H](O)CO2 ZINC000768464745 577556391 /nfs/dbraw/zinc/55/63/91/577556391.db2.gz TVFAGVNYCCMCEN-HOCLYGCPSA-N 0 0 333.409 2.453 10 10 EECERN C[C@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769857977 577585945 /nfs/dbraw/zinc/58/59/45/577585945.db2.gz BXAZVNONFGRIPL-NSHDSACASA-N 0 0 326.418 2.168 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000763216335 577716993 /nfs/dbraw/zinc/71/69/93/577716993.db2.gz DCZWKGCRPGGYTF-RVKKMQEKSA-N 0 0 347.459 2.308 10 10 EECERN O=C(NCc1noc(C2CC2)n1)NCc1ccc(N2CC=CC2)cc1 ZINC000763510771 577722157 /nfs/dbraw/zinc/72/21/57/577722157.db2.gz WHRIASANIFCCPY-UHFFFAOYSA-N 0 0 339.399 2.323 10 10 EECERN CC(=O)N1CSC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000747374231 577943158 /nfs/dbraw/zinc/94/31/58/577943158.db2.gz CJXKXYKKVLAIIQ-KRWDZBQOSA-N 0 0 347.484 2.165 10 10 EECERN NC(=O)C1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000747584187 577946631 /nfs/dbraw/zinc/94/66/31/577946631.db2.gz RFDRCRALBYBCQT-UHFFFAOYSA-N 0 0 345.443 2.114 10 10 EECERN O=C(NCc1ccccc1O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000748345287 577959705 /nfs/dbraw/zinc/95/97/05/577959705.db2.gz CRRBPPPOLDSYGQ-HNNXBMFYSA-N 0 0 342.420 2.224 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCC[S@](=O)CC)cc1F ZINC000735099069 578134236 /nfs/dbraw/zinc/13/42/36/578134236.db2.gz DEYJBBRIDCCCGF-HSZRJFAPSA-N 0 0 343.468 2.240 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000924509099 679499286 /nfs/dbraw/zinc/49/92/86/679499286.db2.gz AWHZAYNQRIJNTG-PRHODGIISA-N 0 0 336.285 2.440 10 10 EECERN CSC[C@H]1NC(=O)N([C@H](C)Cc2ccc(N(C)C)cc2C)C1=O ZINC000924941192 681760939 /nfs/dbraw/zinc/76/09/39/681760939.db2.gz MNADWDCJKWAYTR-IUODEOHRSA-N 0 0 335.473 2.275 10 10 EECERN CC[C@@H]([C@H]1CCCOC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925095292 683347369 /nfs/dbraw/zinc/34/73/69/683347369.db2.gz JHAHTDJHSLPWJG-GJZGRUSLSA-N 0 0 332.400 2.362 10 10 EECERN O=C1N(CC[NH2+]Cc2ccc(F)c(F)c2[O-])C[C@@H]2CCCCN12 ZINC000895341896 684518488 /nfs/dbraw/zinc/51/84/88/684518488.db2.gz DBNQZHJLEPIRAA-LBPRGKRZSA-N 0 0 325.359 2.050 10 10 EECERN CCOc1ccc(O)c(CN2CCc3nc(COC)ncc3C2)c1 ZINC000895414770 684592987 /nfs/dbraw/zinc/59/29/87/684592987.db2.gz IRODTCSNROTKQI-UHFFFAOYSA-N 0 0 329.400 2.286 10 10 EECERN COC(=O)[C@@H](Cc1cncs1)NCc1cc(C)cc(OC)c1O ZINC000895474257 684614384 /nfs/dbraw/zinc/61/43/84/684614384.db2.gz PCCFCVIBSRZSBO-CYBMUJFWSA-N 0 0 336.413 2.040 10 10 EECERN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)NC(C)(C)C ZINC000895874351 684753167 /nfs/dbraw/zinc/75/31/67/684753167.db2.gz NEYGUXYKIZPVIZ-MRVPVSSYSA-N 0 0 336.413 2.346 10 10 EECERN C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896903381 685762386 /nfs/dbraw/zinc/76/23/86/685762386.db2.gz OZGNPORORCYOKM-GXSJLCMTSA-N 0 0 337.397 2.236 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](O)COCC(C)C ZINC000304681005 687011561 /nfs/dbraw/zinc/01/15/61/687011561.db2.gz ZELZOUJGZKQCEO-CQSZACIVSA-N 0 0 345.399 2.014 10 10 EECERN C[C@]1(C(F)(F)F)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 ZINC000871437215 1197731654 /nfs/dbraw/zinc/73/16/54/1197731654.db2.gz DNLVTXKYURNKCT-PKXJPQMGSA-N 0 0 331.290 2.291 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N3C[C@@H](OC)C[C@@]3(C)C2=O)cc1 ZINC000865300069 1198158548 /nfs/dbraw/zinc/15/85/48/1198158548.db2.gz WQRXCVHBCMEIJK-LPHOPBHVSA-N 0 0 345.443 2.474 10 10 EECERN CC(=O)C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000872849579 1198417573 /nfs/dbraw/zinc/41/75/73/1198417573.db2.gz VLAQHRBJGMXCJA-UHFFFAOYSA-N 0 0 345.443 2.034 10 10 EECERN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)cc1 ZINC000874278685 1198844528 /nfs/dbraw/zinc/84/45/28/1198844528.db2.gz GZVTVJVASYLDHP-IAGOWNOFSA-N 0 0 340.427 2.307 10 10 EECERN C[C@@]12CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@@H]1C2(F)F ZINC000813609819 1199114231 /nfs/dbraw/zinc/11/42/31/1199114231.db2.gz MMPOCVOONOGVDC-GXTWGEPZSA-N 0 0 339.298 2.407 10 10 EECERN O=C(/C=C\c1cncc(F)c1)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC001134042064 1199267226 /nfs/dbraw/zinc/26/72/26/1199267226.db2.gz SMDAZMGAPDMDBB-UPHRSURJSA-N 0 0 333.269 2.497 10 10 EECERN COc1cccc(CNC(=O)NC[C@@H]2C[C@H]2C2CCOCC2)c1O ZINC000876165049 1199525507 /nfs/dbraw/zinc/52/55/07/1199525507.db2.gz ZXFQBOMAJRWZTD-GJZGRUSLSA-N 0 0 334.416 2.263 10 10 EECERN COc1ccccc1[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000870111479 1200477488 /nfs/dbraw/zinc/47/74/88/1200477488.db2.gz TYUSAQAEMRGTQH-INIZCTEOSA-N 0 0 329.352 2.320 10 10 EECERN Cc1ccccc1[C@@H](CC(=O)N1Cc2cccc(O)c2C1)NC(N)=O ZINC000871198975 1201096299 /nfs/dbraw/zinc/09/62/99/1201096299.db2.gz QNQSZFZDXSEZFU-MRXNPFEDSA-N 0 0 339.395 2.343 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\COC1CCOCC1 ZINC000866207524 1201464769 /nfs/dbraw/zinc/46/47/69/1201464769.db2.gz PRZWEWIIGIUVAF-ARJAWSKDSA-N 0 0 346.427 2.230 10 10 EECERN CN(C)c1ccc(CN(C)S(=O)(=O)CCOC(C)(C)C)cc1 ZINC000866418756 1201513045 /nfs/dbraw/zinc/51/30/45/1201513045.db2.gz SUHJKVGRNWRZCU-UHFFFAOYSA-N 0 0 328.478 2.329 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000866530666 1201542396 /nfs/dbraw/zinc/54/23/96/1201542396.db2.gz BCKJFXPHRPHKEA-ZFWWWQNUSA-N 0 0 349.427 2.415 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H](C)O[C@H]3C)C2)cc1 ZINC000868957089 1201912024 /nfs/dbraw/zinc/91/20/24/1201912024.db2.gz WJPKINPKZBZSCA-BASYENTBSA-N 0 0 332.444 2.451 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCN(CCCCCO)CC2)c1O ZINC000931497227 1207398240 /nfs/dbraw/zinc/39/82/40/1207398240.db2.gz KXGXVODYPRSTAK-UHFFFAOYSA-N 0 0 338.423 2.014 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCO[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000193594058 1210904416 /nfs/dbraw/zinc/90/44/16/1210904416.db2.gz LFVAXSPDXHRVFC-LQPUYASZSA-N 0 0 342.298 2.251 10 10 EECERN COc1ccc(N(C)C[C@H](O)COC[C@H]2CCCO2)cc1Cl ZINC000246524402 1212702236 /nfs/dbraw/zinc/70/22/36/1212702236.db2.gz KTEYNVODEXPMIR-UONOGXRCSA-N 0 0 329.824 2.341 10 10 EECERN O=C1CN(Cc2cc3c(cc2O)CCC3)CCN1CC(F)(F)F ZINC000795733041 1215034493 /nfs/dbraw/zinc/03/44/93/1215034493.db2.gz ZCPXDPNFNMVVQF-UHFFFAOYSA-N 0 0 328.334 2.087 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C(/C)CN1CCOCC1 ZINC000900401628 1234318252 /nfs/dbraw/zinc/31/82/52/1234318252.db2.gz YJTCHWQEEWHCBM-VKAVYKQESA-N 0 0 345.487 2.380 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccncc2N(C)C)c1 ZINC000801921948 1236436989 /nfs/dbraw/zinc/43/69/89/1236436989.db2.gz CJKXQGGFDVZORE-LLVKDONJSA-N 0 0 330.388 2.166 10 10 EECERN CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1[O-] ZINC000903363169 1240312746 /nfs/dbraw/zinc/31/27/46/1240312746.db2.gz MEXWVCNQWYZIKP-DZGCQCFKSA-N 0 0 347.864 2.290 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)CCCC2CCOCC2)cc1 ZINC000826923795 1248121644 /nfs/dbraw/zinc/12/16/44/1248121644.db2.gz WKYQLZLJZGSRJC-UHFFFAOYSA-N 0 0 340.489 2.379 10 10 EECERN COC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])C1CCOCC1 ZINC000850494205 1277245817 /nfs/dbraw/zinc/24/58/17/1277245817.db2.gz OSYFVHOTEOTLAG-LRDDRELGSA-N 0 0 337.416 2.271 10 10 EECERN COC[C@H](CCNC(=O)c1csc(Cc2ccc(N)cc2)n1)OC ZINC000851640303 1277696829 /nfs/dbraw/zinc/69/68/29/1277696829.db2.gz SNSLSXPBJSBPSZ-AWEZNQCLSA-N 0 0 349.456 2.097 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCc3nccs3)C2)cc1 ZINC000852031660 1291962889 /nfs/dbraw/zinc/96/28/89/1291962889.db2.gz UWBLWVBSUZIBBQ-CYBMUJFWSA-N 0 0 346.456 2.272 10 10 EECERN C[C@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(N(C)C)cc1 ZINC000852261958 1292069743 /nfs/dbraw/zinc/06/97/43/1292069743.db2.gz WVJFCKBFNPSIHZ-ZDUSSCGKSA-N 0 0 342.443 2.393 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCSC3)C2)cc1 ZINC000852449654 1292116736 /nfs/dbraw/zinc/11/67/36/1292116736.db2.gz VMSOKLVDLJEODV-UONOGXRCSA-N 0 0 335.473 2.469 10 10 EECERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)NCCCSc2nccs2)C1 ZINC000853858110 1292492959 /nfs/dbraw/zinc/49/29/59/1292492959.db2.gz KXUYNMMNSUPDHY-PHIMTYICSA-N 0 0 343.474 2.218 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000853964025 1292558659 /nfs/dbraw/zinc/55/86/59/1292558659.db2.gz GCVKOHONLZFQRD-BZSXCTJTSA-N 0 0 334.372 2.236 10 10 EECERN CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296650 1292707468 /nfs/dbraw/zinc/70/74/68/1292707468.db2.gz FOLJVLICEVPKRO-HOTGVXAUSA-N 0 0 346.475 2.010 10 10 EECERN CCC[C@](C)(CO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299428 1292709914 /nfs/dbraw/zinc/70/99/14/1292709914.db2.gz ISARZCAGALWUBE-KBXCAEBGSA-N 0 0 335.448 2.124 10 10 EECERN Cc1cc(CC(=O)N[C@H]2C[C@@H](C)OC2=O)c(C)n1-c1ccccc1 ZINC000854469672 1292795895 /nfs/dbraw/zinc/79/58/95/1292795895.db2.gz JZSUKMGUHDVZMI-DYVFJYSZSA-N 0 0 326.396 2.457 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc(C4CC4)nc3)C2)cc1 ZINC000855227037 1293119837 /nfs/dbraw/zinc/11/98/37/1293119837.db2.gz SYFKTJZSWKUVMH-OAHLLOKOSA-N 0 0 338.411 2.371 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(O)c(F)c3)C2)cc1 ZINC000855227629 1293120001 /nfs/dbraw/zinc/12/00/01/1293120001.db2.gz ZBWZIHZCVUTNRK-CQSZACIVSA-N 0 0 344.386 2.478 10 10 EECERN Cc1cc(CC(=O)N(C[C@H](C)O)[C@H](C)CO)c(C)n1-c1ccccc1 ZINC000857188042 1293750903 /nfs/dbraw/zinc/75/09/03/1293750903.db2.gz KEOBLOFCBWIFBB-CVEARBPZSA-N 0 0 344.455 2.227 10 10 EECERN CC(C)c1n[nH]cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000857333159 1293794953 /nfs/dbraw/zinc/79/49/53/1293794953.db2.gz HAKBIUFDZZVAKB-UHFFFAOYSA-N 0 0 342.443 2.424 10 10 EECERN COC[C@]1(C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000858368021 1294097597 /nfs/dbraw/zinc/09/75/97/1294097597.db2.gz BBGGYWVUIWDAKO-KSSFIOAISA-N 0 0 335.448 2.261 10 10 EECERN C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)c(F)cc1[O-] ZINC000858523873 1294143314 /nfs/dbraw/zinc/14/33/14/1294143314.db2.gz XPMDXXCUIHFVQV-VHSXEESVSA-N 0 0 347.228 2.275 10 10 EECERN C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(F)cc1[O-] ZINC000858564988 1294155798 /nfs/dbraw/zinc/15/57/98/1294155798.db2.gz FGAOBMQZNUCXCP-RHSMWYFYSA-N 0 0 345.418 2.478 10 10 EECERN CCOc1ccc(NC(=O)C(=O)NCc2cc(C)ccc2O)nc1C ZINC000862024533 1295659235 /nfs/dbraw/zinc/65/92/35/1295659235.db2.gz AHVDPSMJARZKJN-UHFFFAOYSA-N 0 0 343.383 2.058 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC001118538880 1308879920 /nfs/dbraw/zinc/87/99/20/1308879920.db2.gz XMYCGRJIJKACDR-HNNXBMFYSA-N 0 0 330.428 2.389 10 10 EECERN COc1ccc(N2CCN(CN3C[C@H]4CCC[C@@H]4C3=O)CC2)cc1 ZINC000839949807 1315262139 /nfs/dbraw/zinc/26/21/39/1315262139.db2.gz QNTATVVGUJHUSG-QAPCUYQASA-N 0 0 329.444 2.033 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)[C@H](C2CCC2)C1 ZINC000840173749 1315316544 /nfs/dbraw/zinc/31/65/44/1315316544.db2.gz DTGBDLIWFQXOMG-KRWDZBQOSA-N 0 0 335.469 2.280 10 10 EECERN C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc(Br)c1[O-] ZINC000841891607 1315631349 /nfs/dbraw/zinc/63/13/49/1315631349.db2.gz MOQPFNVILMTNQE-NWDGAFQWSA-N 0 0 343.265 2.042 10 10 EECERN Cc1ccccc1N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001142491806 1315634547 /nfs/dbraw/zinc/63/45/47/1315634547.db2.gz DRLNYXTVBSDXDP-UHFFFAOYSA-N 0 0 326.396 2.298 10 10 EECERN C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC000843039671 1315826029 /nfs/dbraw/zinc/82/60/29/1315826029.db2.gz DOOUNFRXCHHAAZ-UKRRQHHQSA-N 0 0 336.407 2.205 10 10 EECERN COC(=O)N1CC(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001154735578 1317287100 /nfs/dbraw/zinc/28/71/00/1317287100.db2.gz JDKYBQCJXCXDCI-UHFFFAOYSA-N 0 0 341.411 2.203 10 10 EECERN Cc1cc(CC(=O)N2CC(=O)N(C)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001155340988 1317558466 /nfs/dbraw/zinc/55/84/66/1317558466.db2.gz WVEULZULJXACHO-HNNXBMFYSA-N 0 0 339.439 2.326 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOc2ccccc2[C@H]1CO ZINC001156696398 1318166140 /nfs/dbraw/zinc/16/61/40/1318166140.db2.gz PMBVKYARXLFIHT-DDJMYBDESA-N 0 0 341.363 2.066 10 10 EECERN Cc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c(=O)n1C ZINC001156805127 1318218231 /nfs/dbraw/zinc/21/82/31/1318218231.db2.gz CZPHJZXRCUJMHS-UHFFFAOYSA-N 0 0 344.392 2.250 10 10 EECERN COC(=O)c1cccc2c1CCN2C(=O)c1ccc(C)c(O)c1O ZINC001156978463 1318323217 /nfs/dbraw/zinc/32/32/17/1318323217.db2.gz LSVJXTNTUTZRLA-UHFFFAOYSA-N 0 0 327.336 2.396 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc(N2CCOC2=O)ccc1F ZINC001299574701 1319528270 /nfs/dbraw/zinc/52/82/70/1319528270.db2.gz SZJHRPYXODWIIL-UHFFFAOYSA-N 0 0 346.314 2.124 10 10 EECERN CCOC(=O)C1=CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001166706384 1321771126 /nfs/dbraw/zinc/77/11/26/1321771126.db2.gz VLJWUXJPFLIQSD-ZDUSSCGKSA-N 0 0 330.344 2.231 10 10 EECERN CCN(C(=O)C1CC1)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001288632346 1327872289 /nfs/dbraw/zinc/87/22/89/1327872289.db2.gz SJLOPYPGYGOYSL-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)cc1 ZINC001290252364 1328166351 /nfs/dbraw/zinc/16/63/51/1328166351.db2.gz DDMRWYDWLKGROM-MRXNPFEDSA-N 0 0 341.386 2.319 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\[C@H]1CCOC1 ZINC001290323724 1328175422 /nfs/dbraw/zinc/17/54/22/1328175422.db2.gz FYZPZDPIJCQOKY-IMXKFXGHSA-N 0 0 330.428 2.074 10 10 EECERN COc1cccc(CNC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)c1O ZINC001294924404 1329764533 /nfs/dbraw/zinc/76/45/33/1329764533.db2.gz CVJSTNGIARHPDY-UHFFFAOYSA-N 0 0 342.273 2.450 10 10 EECERN C[C@@H](CNC(=O)C1CC=CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295448877 1329812449 /nfs/dbraw/zinc/81/24/49/1329812449.db2.gz NABAZZGQQFSGGQ-NSHDSACASA-N 0 0 343.387 2.050 10 10 EECERN CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[C@H]1C[C@@H]1C ZINC001296321490 1329882119 /nfs/dbraw/zinc/88/21/19/1329882119.db2.gz TVISWNKRBSYRSM-FZMZJTMJSA-N 0 0 345.403 2.083 10 10 EECERN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1c(O)cccc1O ZINC001304049689 1331374985 /nfs/dbraw/zinc/37/49/85/1331374985.db2.gz DGFBJQXXKZBNMN-UHFFFAOYSA-N 0 0 332.312 2.091 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001304053267 1331375145 /nfs/dbraw/zinc/37/51/45/1331375145.db2.gz GEEGUNZHEVFPGJ-XYPYZODXSA-N 0 0 336.388 2.017 10 10 EECERN COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(C(=O)[O-])n3)C2)cc1 ZINC000902377462 1331547969 /nfs/dbraw/zinc/54/79/69/1331547969.db2.gz FQCGXTMMQCNABF-CQSZACIVSA-N 0 0 341.411 2.405 10 10 EECERN CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1cscn1 ZINC001317473225 1331564685 /nfs/dbraw/zinc/56/46/85/1331564685.db2.gz RGPZQBDMQJVTCL-UHFFFAOYSA-N 0 0 346.416 2.167 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC001323839465 1333551545 /nfs/dbraw/zinc/55/15/45/1333551545.db2.gz VQXHKBNENUAWAI-FVQHAEBGSA-N 0 0 329.444 2.064 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC001324390124 1333672742 /nfs/dbraw/zinc/67/27/42/1333672742.db2.gz MYFVJQYVKZXXHZ-ZWKOTPCHSA-N 0 0 343.471 2.406 10 10 EECERN C[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)[C@H]1CC2CCC1CC2 ZINC001328807936 1334525895 /nfs/dbraw/zinc/52/58/95/1334525895.db2.gz OZFASZSAGUPMAJ-DVUZTRGUSA-N 0 0 343.471 2.259 10 10 EECERN C[C@@]1(C(F)F)CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001330435735 1334844329 /nfs/dbraw/zinc/84/43/29/1334844329.db2.gz YXQSLUFQUSQSIJ-KRWDZBQOSA-N 0 0 326.387 2.379 10 10 EECERN CC1(C)CC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001331549990 1335035510 /nfs/dbraw/zinc/03/55/10/1335035510.db2.gz RVIDMNFQILSOOY-KRWDZBQOSA-N 0 0 343.471 2.441 10 10 EECERN CN(C)c1ccc(/C=C\C[NH2+][C@@H](Cc2ccncc2)C(=O)[O-])cc1 ZINC000848637699 1338734413 /nfs/dbraw/zinc/73/44/13/1338734413.db2.gz VZCFVNLITAPFIF-JXCVUKRWSA-N 0 0 325.412 2.446 10 10 EECERN CCc1cccc(CN2CCOC[C@H]2c2noc(COC)n2)c1O ZINC000848901212 1338800352 /nfs/dbraw/zinc/80/03/52/1338800352.db2.gz PLHOHJJQLINQJS-AWEZNQCLSA-N 0 0 333.388 2.058 10 10 EECERN Cc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)c(O)c1O ZINC001540610639 1342326965 /nfs/dbraw/zinc/32/69/65/1342326965.db2.gz GSPQXHMVEHBRMS-UHFFFAOYSA-N 0 0 327.340 2.188 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(Br)o1 ZINC001567789946 1342840532 /nfs/dbraw/zinc/84/05/32/1342840532.db2.gz ZNGVEPDKRLWGIG-UHFFFAOYSA-N 0 0 326.146 2.312 10 10 EECERN CC1CCC(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)CC1 ZINC001593873667 1349873158 /nfs/dbraw/zinc/87/31/58/1349873158.db2.gz VQEDOBZRYQCDFR-HNFVBEJKSA-N 0 0 346.427 2.141 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001596711824 1349910762 /nfs/dbraw/zinc/91/07/62/1349910762.db2.gz RXXLNJXWDMVNQK-GJWQZFMSSA-N 0 0 328.412 2.017 10 10 EECERN Nc1c(F)cccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001597494264 1349925688 /nfs/dbraw/zinc/92/56/88/1349925688.db2.gz SEPAWNZRJCGXGF-UHFFFAOYSA-N 0 0 329.375 2.175 10 10 EECERN O=C(C[C@H]1CC(=O)Nc2ccccc21)NCc1c(O)cccc1O ZINC001597579404 1349928081 /nfs/dbraw/zinc/92/80/81/1349928081.db2.gz MCWYLVDQJFRDDN-NSHDSACASA-N 0 0 326.352 2.230 10 10 EECERN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2Cl)C1 ZINC001626169307 1350682400 /nfs/dbraw/zinc/68/24/00/1350682400.db2.gz SBSYOAZUEVTUGG-BNOWGMLFSA-N 0 0 349.862 2.314 10 10 EECERN CCCNC(=O)c1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001624876064 1352433345 /nfs/dbraw/zinc/43/33/45/1352433345.db2.gz ONJNQCOKVSFJJA-UHFFFAOYSA-N 0 0 342.395 2.097 10 10 EECERN Nc1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001625377222 1352447595 /nfs/dbraw/zinc/44/75/95/1352447595.db2.gz OGZZDQBFYFJMKL-UHFFFAOYSA-N 0 0 341.371 2.102 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncnc2ccsc21 ZINC001632680944 1352601047 /nfs/dbraw/zinc/60/10/47/1352601047.db2.gz JIRGKKUQYRAZSX-VIFPVBQESA-N 0 0 329.381 2.464 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC3(C2)OCCO3)cc1 ZINC001633671097 1352615744 /nfs/dbraw/zinc/61/57/44/1352615744.db2.gz DUTYADHAKGJWSQ-OAHLLOKOSA-N 0 0 333.432 2.190 10 10 EECERN Cc1cn2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2n1 ZINC001633819970 1352618397 /nfs/dbraw/zinc/61/83/97/1352618397.db2.gz YDMPDNDKXZUXDA-NSHDSACASA-N 0 0 325.368 2.415 10 10 EECERN COCc1nc(NCc2ccc3cccnc3c2O)cc(OC)n1 ZINC001640052426 1352705464 /nfs/dbraw/zinc/70/54/64/1352705464.db2.gz WDSPZUSTERWWMZ-UHFFFAOYSA-N 0 0 326.356 2.498 10 10 EECERN Cc1ccc(C(=O)NC[C@@H](c2nnc[nH]2)c2ccccc2)c(O)c1O ZINC001640624147 1352712748 /nfs/dbraw/zinc/71/27/48/1352712748.db2.gz DPXJUYOASXHRKW-CQSZACIVSA-N 0 0 338.367 2.086 10 10 EECERN O=C(NCc1cccc(Cl)c1O)[C@H]1CNC(=O)c2ccccc21 ZINC001648608567 1353435954 /nfs/dbraw/zinc/43/59/54/1353435954.db2.gz ISGIRSCEJLYRIG-ZDUSSCGKSA-N 0 0 330.771 2.189 10 10 EECERN CCCNC(=O)Cc1csc(NC(=O)c2ccc(C)c(O)c2O)n1 ZINC001650625994 1354024938 /nfs/dbraw/zinc/02/49/38/1354024938.db2.gz WDZWLEIAABLSHW-UHFFFAOYSA-N 0 0 349.412 2.184 10 10 EECERN COc1cc(C(=O)NCc2cccc(O)c2O)c([N+](=O)[O-])cc1F ZINC001651175805 1354042208 /nfs/dbraw/zinc/04/22/08/1354042208.db2.gz NRPOFNUDKDVUQX-UHFFFAOYSA-N 0 0 336.275 2.084 10 10 EECERN CCc1ccccc1-n1cc(C(=O)NCc2cc(O)ccc2O)nn1 ZINC001651225780 1354045663 /nfs/dbraw/zinc/04/56/63/1354045663.db2.gz XZHRVIOWBZUOFK-UHFFFAOYSA-N 0 0 338.367 2.171 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2CCc3cc(O)ccc3C2)cc1 ZINC001655145538 1354166096 /nfs/dbraw/zinc/16/60/96/1354166096.db2.gz ZARHAZRFMODBEV-UHFFFAOYSA-N 0 0 339.439 2.133 10 10 EECERN O=C(NCc1ccccc1O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001682035590 1358119950 /nfs/dbraw/zinc/11/99/50/1358119950.db2.gz ZMDIRGYWNWSNBO-OAHLLOKOSA-N 0 0 343.358 2.136 10 10 EECERN Cn1cc(Cl)c(CNC(=O)NCc2cccc(Cl)c2O)n1 ZINC001682486343 1358162326 /nfs/dbraw/zinc/16/23/26/1358162326.db2.gz PZAQKQNVCWVIHR-UHFFFAOYSA-N 0 0 329.187 2.432 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000588404996 759557177 /nfs/dbraw/zinc/55/71/77/759557177.db2.gz DGSOZFSLZRYLTF-VIHMKRCTSA-N 0 0 338.363 2.033 10 10 EECERN COc1cccc(CNC(=O)c2cc(-c3cccnc3)on2)c1O ZINC000068489083 774596283 /nfs/dbraw/zinc/59/62/83/774596283.db2.gz FAZZKGMJOYQHLL-UHFFFAOYSA-N 0 0 325.324 2.381 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)c1cn2c(n1)CCC2 ZINC000843768452 781485329 /nfs/dbraw/zinc/48/53/29/781485329.db2.gz IWUCMEDYESVYEZ-UHFFFAOYSA-N 0 0 342.468 2.313 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCOC[C@@H]3C)C2)cc1 ZINC000819588120 785596863 /nfs/dbraw/zinc/59/68/63/785596863.db2.gz JNSGZZACMQJJCR-DAYGRLMNSA-N 0 0 332.444 2.310 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cccc(OC)n3)C2)cc1 ZINC000824146463 788055358 /nfs/dbraw/zinc/05/53/58/788055358.db2.gz BFOWEUWMGWFCJI-CYBMUJFWSA-N 0 0 342.399 2.499 10 10 EECERN C[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000824849271 788321960 /nfs/dbraw/zinc/32/19/60/788321960.db2.gz FAWWWOGCHZWLHP-JTQLQIEISA-N 0 0 348.262 2.021 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000843850759 788689655 /nfs/dbraw/zinc/68/96/55/788689655.db2.gz IGOGTQFZFHHDLY-NWDGAFQWSA-N 0 0 329.400 2.238 10 10 EECERN Cc1cc(C(=O)N2CC(C)(C(N)=O)C2)c(C)n1-c1ccccc1C ZINC000843940116 788763482 /nfs/dbraw/zinc/76/34/82/788763482.db2.gz ULQSUWHITYASGL-UHFFFAOYSA-N 0 0 325.412 2.350 10 10 EECERN COc1cc(C)cc(CN2CCn3c(CC4CC4)nnc3C2)c1O ZINC000844717801 789323998 /nfs/dbraw/zinc/32/39/98/789323998.db2.gz BWOCVZSARDGPFC-UHFFFAOYSA-N 0 0 328.416 2.269 10 10 EECERN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000916721074 797866321 /nfs/dbraw/zinc/86/63/21/797866321.db2.gz VEFUZTRNRDGVBL-UHFFFAOYSA-N 0 0 327.340 2.387 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CC(F)(F)F)c1 ZINC000787253707 807054726 /nfs/dbraw/zinc/05/47/26/807054726.db2.gz PEABBUNWHVLTFT-SECBINFHSA-N 0 0 343.305 2.218 10 10 EECERN CO[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccc(O)cc1 ZINC000787509657 807133730 /nfs/dbraw/zinc/13/37/30/807133730.db2.gz ACQCASXNVUTUFR-DIFFPNOSSA-N 0 0 331.368 2.238 10 10 EECERN Cc1cc(CCNC(=O)C(=O)NCC2CC2)c(C)n1-c1ccccc1 ZINC000788495695 807551921 /nfs/dbraw/zinc/55/19/21/807551921.db2.gz OZWKATRSDWICKL-UHFFFAOYSA-N 0 0 339.439 2.279 10 10 EECERN CNC(=O)CC(=O)OCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000789092655 807842756 /nfs/dbraw/zinc/84/27/56/807842756.db2.gz KEQVKUJPBHDUAU-UHFFFAOYSA-N 0 0 342.395 2.265 10 10 EECERN CNC(=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000789095889 807842928 /nfs/dbraw/zinc/84/29/28/807842928.db2.gz OUSJTKZNNDZGLK-UHFFFAOYSA-N 0 0 342.395 2.265 10 10 EECERN Cc1cc(Br)c(O)c(CNCc2nc(N(C)C)no2)c1 ZINC000789556132 808076906 /nfs/dbraw/zinc/07/69/06/808076906.db2.gz PLBVMQMNAXBEEA-UHFFFAOYSA-N 0 0 341.209 2.202 10 10 EECERN CN(C)c1ccc(CN2CCN3CCOC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000793078419 810129940 /nfs/dbraw/zinc/12/99/40/810129940.db2.gz VVSIFOTYLVFEFO-HNNXBMFYSA-N 0 0 343.393 2.288 10 10 EECERN COC(=O)c1cc(C)nc(NCc2cc(OC)ccc2O)c1[N+](=O)[O-] ZINC000804457787 810868963 /nfs/dbraw/zinc/86/89/63/810868963.db2.gz CRWSGABNSRVHHV-UHFFFAOYSA-N 0 0 347.327 2.411 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806855685 812011144 /nfs/dbraw/zinc/01/11/44/812011144.db2.gz VFZWVVSOJRLMII-UHFFFAOYSA-N 0 0 342.395 2.217 10 10 EECERN COc1ccc(CCC(=O)OCC(=O)C(C)=O)cc1Br ZINC000808500122 812695886 /nfs/dbraw/zinc/69/58/86/812695886.db2.gz FEOZPYRUDWAMBP-UHFFFAOYSA-N 0 0 343.173 2.092 10 10 EECERN CC(=O)C(=O)COC(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000808534663 812705378 /nfs/dbraw/zinc/70/53/78/812705378.db2.gz PWXAIECAVCAVEK-UHFFFAOYSA-N 0 0 325.292 2.403 10 10 EECERN COC(=O)c1ccccc1-c1ccccc1C(=O)OCC(=O)C(C)=O ZINC000808542343 812711122 /nfs/dbraw/zinc/71/11/22/812711122.db2.gz ACJWIXJFRZLKSX-UHFFFAOYSA-N 0 0 340.331 2.455 10 10 EECERN CCOC[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805316671 812727380 /nfs/dbraw/zinc/72/73/80/812727380.db2.gz MIEJTHAMBQUBLI-VIFPVBQESA-N 0 0 331.210 2.379 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(OCCO)cc2)cc1 ZINC001566357143 1125597110 /nfs/dbraw/zinc/59/71/10/1125597110.db2.gz XLRBNVWFMFLSKB-UHFFFAOYSA-N 0 0 328.328 2.472 10 10 EECERN O=C([O-])[C@@H](Cc1ncccn1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001329584578 1126174708 /nfs/dbraw/zinc/17/47/08/1126174708.db2.gz VGLSBWFENQSWEP-QGZVFWFLSA-N 0 0 340.427 2.252 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@@H](Cc2cncs2)C(=O)[O-])cc1F ZINC001330066704 1126175121 /nfs/dbraw/zinc/17/51/21/1126175121.db2.gz PWDUKZZOZNJPGB-ZDUSSCGKSA-N 0 0 341.383 2.273 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1 ZINC001450707689 1095104156 /nfs/dbraw/zinc/10/41/56/1095104156.db2.gz JREZGZJVUOIVQN-UHFFFAOYSA-N 0 0 337.339 2.387 10 10 EECERN Cc1ccc2nc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cn2c1 ZINC001447566623 1102875688 /nfs/dbraw/zinc/87/56/88/1102875688.db2.gz YSHSXACJLONDDK-GFCCVEGCSA-N 0 0 325.368 2.415 10 10 EECERN COC(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1O ZINC001447696460 1103125141 /nfs/dbraw/zinc/12/51/41/1103125141.db2.gz GJQWKOHRCRLEOO-CLTKARDFSA-N 0 0 329.308 2.242 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001455357040 1108474616 /nfs/dbraw/zinc/47/46/16/1108474616.db2.gz MWHKZJNCSICZTH-LSDHHAIUSA-N 0 0 341.363 2.289 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(O)c1 ZINC001464454836 1110394666 /nfs/dbraw/zinc/39/46/66/1110394666.db2.gz XDRFLMLYIWHUSR-UHFFFAOYSA-N 0 0 330.359 2.298 10 10 EECERN O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1cccc(O)c1O ZINC001464636685 1110399208 /nfs/dbraw/zinc/39/92/08/1110399208.db2.gz IPSQJMZEVKGPMJ-CQSZACIVSA-N 0 0 340.379 2.132 10 10 EECERN Cc1ccn2ncc(C(=O)NCc3ccc4cccnc4c3O)c2n1 ZINC001469249909 1110487952 /nfs/dbraw/zinc/48/79/52/1110487952.db2.gz PRLZYJUFECYZSC-UHFFFAOYSA-N 0 0 333.351 2.222 10 10 EECERN C[C@]1(c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)COC(=O)N1 ZINC001471594561 1110525185 /nfs/dbraw/zinc/52/51/85/1110525185.db2.gz LKXNQHOEXUPVND-GOSISDBHSA-N 0 0 342.351 2.234 10 10 EECERN COC(=O)c1ccccc1CCC(=O)NCc1cc(O)ccc1O ZINC001471660818 1110527752 /nfs/dbraw/zinc/52/77/52/1110527752.db2.gz AOAGEPBDUDTEOX-UHFFFAOYSA-N 0 0 329.352 2.133 10 10 EECERN O=C(NCc1cccc(Cl)c1O)[C@H]1COc2ccc(O)cc2O1 ZINC001472317078 1110551546 /nfs/dbraw/zinc/55/15/46/1110551546.db2.gz UPMXCWBFPIEMKC-CQSZACIVSA-N 0 0 335.743 2.207 10 10 EECERN CN(CCc1ccc2c(c1)OCO2)C(=O)c1c(F)ccc(O)c1O ZINC001472617754 1110560909 /nfs/dbraw/zinc/56/09/09/1110560909.db2.gz DMDAEGZYSYHQDC-UHFFFAOYSA-N 0 0 333.315 2.280 10 10 EECERN CC(C)(C)OC(=O)N(CC(=O)NCc1cccc(O)c1O)C1CC1 ZINC001528770947 1121163401 /nfs/dbraw/zinc/16/34/01/1121163401.db2.gz HZBHSIFYHNGVAG-UHFFFAOYSA-N 0 0 336.388 2.114 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cccnc2-c2cnn(C)c2)cc1 ZINC001539050395 1124044091 /nfs/dbraw/zinc/04/40/91/1124044091.db2.gz RKKXWAOKCZNGBV-UHFFFAOYSA-N 0 0 335.411 2.478 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1CN1CCCC1=O ZINC001542613714 1124114711 /nfs/dbraw/zinc/11/47/11/1124114711.db2.gz MDESBNDADRLBAP-UHFFFAOYSA-N 0 0 340.379 2.401 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2n(n1)CCC[C@H]2O ZINC001543309207 1124127275 /nfs/dbraw/zinc/12/72/75/1124127275.db2.gz AYLJJNDVWKASKM-QGZVFWFLSA-N 0 0 328.416 2.015 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1noc(-c2ccc(F)cc2)n1 ZINC001545639398 1124200464 /nfs/dbraw/zinc/20/04/64/1124200464.db2.gz NJYSNXFRFBNQIS-UHFFFAOYSA-N 0 0 329.287 2.217 10 10 EECERN CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093104720 529980126 /nfs/dbraw/zinc/98/01/26/529980126.db2.gz OEAXPBVMDXDLFT-OAHLLOKOSA-N 0 0 340.379 2.358 10 10 EECERN O=S(=O)([C@H]1CCN(Cc2cc(Cl)ccc2O)C1)N1CCCC1 ZINC000092044836 237035847 /nfs/dbraw/zinc/03/58/47/237035847.db2.gz BAZSWBJCELLVPY-AWEZNQCLSA-N 0 0 344.864 2.046 10 10 EECERN COCCOCCCNC(=O)/C=C\c1ccc2c(c1)CCCN2C ZINC000096187992 135642778 /nfs/dbraw/zinc/64/27/78/135642778.db2.gz RRSYLCLUWDDLNN-CLFYSBASSA-N 0 0 332.444 2.252 10 10 EECERN C=CC(=O)NCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000156632001 463051107 /nfs/dbraw/zinc/05/11/07/463051107.db2.gz OLWDAMMELCHJGW-UHFFFAOYSA-N 0 0 329.444 2.328 10 10 EECERN CCOc1cccc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1O ZINC000121283436 463110172 /nfs/dbraw/zinc/11/01/72/463110172.db2.gz NMWDIRAXVTYEQW-CYBMUJFWSA-N 0 0 346.431 2.361 10 10 EECERN Cc1noc(CCNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000263688136 464154864 /nfs/dbraw/zinc/15/48/64/464154864.db2.gz MBEGNOJIDLYLFB-UHFFFAOYSA-N 0 0 343.431 2.361 10 10 EECERN C[C@@H](c1cn[nH]c1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000280117640 464189748 /nfs/dbraw/zinc/18/97/48/464189748.db2.gz OBVXRDHCMFKDSV-VIFPVBQESA-N 0 0 334.763 2.294 10 10 EECERN Cc1nn(C)c(C)c1OC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000173331981 464241844 /nfs/dbraw/zinc/24/18/44/464241844.db2.gz NBLWRWOSMUQRDN-RMKNXTFCSA-N 0 0 341.411 2.492 10 10 EECERN CN(C)c1ccc(CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000271405850 464302067 /nfs/dbraw/zinc/30/20/67/464302067.db2.gz NMEKXGXNFJMJSP-UHFFFAOYSA-N 0 0 343.387 2.199 10 10 EECERN CCOc1ccc(O)c(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190156265 464603887 /nfs/dbraw/zinc/60/38/87/464603887.db2.gz BBRUAYAINLPEGY-HUUCEWRRSA-N 0 0 333.388 2.444 10 10 EECERN Cn1nnc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)cc21 ZINC000183414103 464860801 /nfs/dbraw/zinc/86/08/01/464860801.db2.gz CCUXVJSAWLAPNX-UHFFFAOYSA-N 0 0 335.411 2.281 10 10 EECERN COC(=O)COc1ccc(N(C)Cc2nnc(C(C)C)n2C)cc1 ZINC000183803402 464913163 /nfs/dbraw/zinc/91/31/63/464913163.db2.gz VLQBUDIPEGUDRT-UHFFFAOYSA-N 0 0 332.404 2.127 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000371259206 465672698 /nfs/dbraw/zinc/67/26/98/465672698.db2.gz GBTDSNDJOUEMIU-INIZCTEOSA-N 0 0 333.771 2.414 10 10 EECERN COc1cccc(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000375261649 466833935 /nfs/dbraw/zinc/83/39/35/466833935.db2.gz FFEXIBNSKGFGSV-OAHLLOKOSA-N 0 0 331.416 2.325 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C2(N3CCOCC3)CCC2)cc1 ZINC000376295468 466903930 /nfs/dbraw/zinc/90/39/30/466903930.db2.gz HGHMEGPYJWPYMP-UHFFFAOYSA-N 0 0 345.487 2.404 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@]1(C)Br ZINC000528994750 467790660 /nfs/dbraw/zinc/79/06/60/467790660.db2.gz CFRODOAOUXKMEW-IPURGOFSSA-N 0 0 328.206 2.319 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)NC3COCCOC3)ccc21 ZINC000644712904 471018387 /nfs/dbraw/zinc/01/83/87/471018387.db2.gz WRPICHQRGBBKQB-UHFFFAOYSA-N 0 0 346.427 2.050 10 10 EECERN CCN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc(OC)c(OC)c1 ZINC000666208920 471316292 /nfs/dbraw/zinc/31/62/92/471316292.db2.gz QJGXPAVYLVQEGD-UHFFFAOYSA-N 0 0 341.367 2.260 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[C@@H](CO)C1 ZINC000298828255 526678896 /nfs/dbraw/zinc/67/88/96/526678896.db2.gz HHXKAFKWVCNIKJ-IAGOWNOFSA-N 0 0 329.444 2.413 10 10 EECERN CC(C)Cn1c([C@H]2COCCO2)nnc1N(C)Cc1ccccc1O ZINC000291563599 528698463 /nfs/dbraw/zinc/69/84/63/528698463.db2.gz NUWMFKAARKZJAN-MRXNPFEDSA-N 0 0 346.431 2.364 10 10 EECERN COCc1cc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)ncn1 ZINC000772385896 577268460 /nfs/dbraw/zinc/26/84/60/577268460.db2.gz VZEOMBQWAPUAJE-JTQLQIEISA-N 0 0 332.360 2.220 10 10 EECERN C[C@@H](NC(=O)NCC[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773615742 577354758 /nfs/dbraw/zinc/35/47/58/577354758.db2.gz XVZLBROPDNVEKO-ZWNOBZJWSA-N 0 0 333.354 2.426 10 10 EECERN CNC(=O)Cc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775828654 577446774 /nfs/dbraw/zinc/44/67/74/577446774.db2.gz UBSFHIQTNZUQHQ-LBPRGKRZSA-N 0 0 332.473 2.348 10 10 EECERN C[C@@H](NC(=O)N1CCSC[C@H]1CCO)c1ccc(N(C)C)cc1 ZINC000776248973 577455559 /nfs/dbraw/zinc/45/55/59/577455559.db2.gz LZAVZNPMJIUXDX-CZUORRHYSA-N 0 0 337.489 2.323 10 10 EECERN O=C(COc1ccc(N2CCCC2)cc1)N1CCOC[C@H]1C1CC1 ZINC000765533562 577502842 /nfs/dbraw/zinc/50/28/42/577502842.db2.gz BNRPTGYCOQBRCX-SFHVURJKSA-N 0 0 330.428 2.303 10 10 EECERN O=C(/C=C/c1cnccn1)NCc1cccc(Br)c1O ZINC000765747492 577506473 /nfs/dbraw/zinc/50/64/73/577506473.db2.gz OSYWRDZHPZUVIC-SNAWJCMRSA-N 0 0 334.173 2.274 10 10 EECERN O=C(NCc1cccc(Br)c1O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000765746488 577506523 /nfs/dbraw/zinc/50/65/23/577506523.db2.gz GYPOYOXSKHXHIM-NDMJEZRESA-N 0 0 326.190 2.196 10 10 EECERN CC=CC[C@@H]1NC(=O)N([C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000761163766 577678224 /nfs/dbraw/zinc/67/82/24/577678224.db2.gz PSUUQQJOYUDSCR-FHPLJQIUSA-N 0 0 343.427 2.471 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000747956891 577952991 /nfs/dbraw/zinc/95/29/91/577952991.db2.gz OMFJIYSZLYMQDT-HNNXBMFYSA-N 0 0 345.365 2.270 10 10 EECERN CN(C)c1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)ns1 ZINC000749299250 577974232 /nfs/dbraw/zinc/97/42/32/577974232.db2.gz VASXZJBFEYOTBP-CQSZACIVSA-N 0 0 348.472 2.491 10 10 EECERN CCOC(=O)C(C)(C)C(=O)NCc1cc(Br)ccc1O ZINC000804735034 675610744 /nfs/dbraw/zinc/61/07/44/675610744.db2.gz IRDOUKVOXRYKNC-UHFFFAOYSA-N 0 0 344.205 2.360 10 10 EECERN CN(C)c1ccc(CNC(=O)NCc2ccc(CO)c(F)c2)cc1 ZINC000065040178 676846326 /nfs/dbraw/zinc/84/63/26/676846326.db2.gz IJYIUDWESMZIQW-UHFFFAOYSA-N 0 0 331.391 2.383 10 10 EECERN NC(=O)C1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000048797096 678381771 /nfs/dbraw/zinc/38/17/71/678381771.db2.gz MHGUJTRSEMUGSQ-UHFFFAOYSA-N 0 0 327.222 2.288 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(C)C2=O)cc1F ZINC000294463953 683298237 /nfs/dbraw/zinc/29/82/37/683298237.db2.gz CHYIIXKXKIFLTQ-AWEZNQCLSA-N 0 0 335.423 2.157 10 10 EECERN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1=O ZINC000914200750 683355653 /nfs/dbraw/zinc/35/56/53/683355653.db2.gz OMELKKAZESAQSC-CQSZACIVSA-N 0 0 347.484 2.360 10 10 EECERN Cc1nnc(CN2CCN(Cc3c(O)cc(C)cc3Cl)CC2)[nH]1 ZINC000895263412 684407571 /nfs/dbraw/zinc/40/75/71/684407571.db2.gz SCGZPMXFSRCVCS-UHFFFAOYSA-N 0 0 335.839 2.098 10 10 EECERN COc1cc(C)cc(CN[C@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000895377227 684560724 /nfs/dbraw/zinc/56/07/24/684560724.db2.gz LIDJJHQNRIHKLN-INIZCTEOSA-N 0 0 347.436 2.469 10 10 EECERN COc1ccc(N2CCC(NC(=O)[C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC000194265967 684927021 /nfs/dbraw/zinc/92/70/21/684927021.db2.gz BPSIJOLKNWCXKZ-RDTXWAMCSA-N 0 0 332.444 2.453 10 10 EECERN O=C(NCCOC[C@@H]1CCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000896388805 684963000 /nfs/dbraw/zinc/96/30/00/684963000.db2.gz KEBFEYHRBAZLOE-NSHDSACASA-N 0 0 337.397 2.238 10 10 EECERN CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065932 694280797 /nfs/dbraw/zinc/28/07/97/694280797.db2.gz WDOKIJZWFAPOPN-HNNXBMFYSA-N 0 0 344.415 2.185 10 10 EECERN CO[C@@H]1COCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897892045 691813818 /nfs/dbraw/zinc/81/38/18/691813818.db2.gz CJLMYUXWPGBJJI-NOZJJQNGSA-N 0 0 337.397 2.094 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CCNC2=O)CC1 ZINC000899188845 693653794 /nfs/dbraw/zinc/65/37/94/693653794.db2.gz AUCLUUOZKBDPCG-UHFFFAOYSA-N 0 0 346.408 2.055 10 10 EECERN Cc1ccc(C(=O)NCc2ncccc2Br)c(O)c1O ZINC001648793405 1176506530 /nfs/dbraw/zinc/50/65/30/1176506530.db2.gz WGKATLZRKNXJHE-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN C[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)o1)c1ccc(N(C)C)cc1 ZINC001269588600 1184413897 /nfs/dbraw/zinc/41/38/97/1184413897.db2.gz SJWNTYFWPJWPBH-LMMOQWNQSA-N 0 0 327.384 2.335 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001142534036 1188238488 /nfs/dbraw/zinc/23/84/88/1188238488.db2.gz XCSLGNAGPLALAS-OAHLLOKOSA-N 0 0 348.305 2.185 10 10 EECERN CC[C@](O)(Cn1cc(COc2ccc(N)cc2)nn1)C(F)(F)F ZINC000905828808 1189937370 /nfs/dbraw/zinc/93/73/70/1189937370.db2.gz SPGIFSCUCMCGMQ-ZDUSSCGKSA-N 0 0 330.310 2.143 10 10 EECERN CO[C@H]1CN2C(=O)N(CCCSc3nccs3)C(=O)[C@@]2(C)C1 ZINC000865303509 1198160172 /nfs/dbraw/zinc/16/01/72/1198160172.db2.gz HHAGMLOWTWGTHC-QMTHXVAHSA-N 0 0 341.458 2.067 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCC12CCOCC2 ZINC000865325341 1198169012 /nfs/dbraw/zinc/16/90/12/1198169012.db2.gz PQWZDUCATLOXME-OAHLLOKOSA-N 0 0 344.411 2.363 10 10 EECERN COc1cccc(CNC(=O)Cn2cc(C=O)c3ccccc32)c1O ZINC001545681847 1198861503 /nfs/dbraw/zinc/86/15/03/1198861503.db2.gz GCARCGHMBHETJA-UHFFFAOYSA-N 0 0 338.363 2.484 10 10 EECERN Cc1cc(C(=O)Cn2nnn(C3CC3)c2=O)c(C)n1-c1ccccc1 ZINC000809977154 1199173267 /nfs/dbraw/zinc/17/32/67/1199173267.db2.gz RPFAVYMWTYWMLG-UHFFFAOYSA-N 0 0 337.383 2.065 10 10 EECERN CCc1nocc1CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000814929495 1199799164 /nfs/dbraw/zinc/79/91/64/1199799164.db2.gz OQURMCFSLSYLPS-UHFFFAOYSA-N 0 0 332.316 2.113 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000866442288 1201519156 /nfs/dbraw/zinc/51/91/56/1201519156.db2.gz ITCARVFBFYDINQ-UHFFFAOYSA-N 0 0 341.458 2.126 10 10 EECERN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867834075 1201690365 /nfs/dbraw/zinc/69/03/65/1201690365.db2.gz KLZRBEUESJXNCC-WHOFXGATSA-N 0 0 341.429 2.104 10 10 EECERN O=C(/C=C/COC1CCOCC1)NCc1ccc2cccnc2c1O ZINC000868936390 1201908889 /nfs/dbraw/zinc/90/88/89/1201908889.db2.gz BSTBLZYCCZOODU-DUXPYHPUSA-N 0 0 342.395 2.308 10 10 EECERN COc1ccc(CNC(=O)NCc2cccc3c2CCOC3)c(O)c1 ZINC000868973670 1201915539 /nfs/dbraw/zinc/91/55/39/1201915539.db2.gz WKXVIUAVHYSWCZ-UHFFFAOYSA-N 0 0 342.395 2.473 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(CO)c(C)o3)C2)cc1 ZINC000869228669 1201969915 /nfs/dbraw/zinc/96/99/15/1201969915.db2.gz MBNSERZSILAEJE-CQSZACIVSA-N 0 0 330.384 2.098 10 10 EECERN Cn1nccc1CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000131693878 1202057261 /nfs/dbraw/zinc/05/72/61/1202057261.db2.gz CERMXFLGKFBIDG-UHFFFAOYSA-N 0 0 344.484 2.222 10 10 EECERN C[C@@H](NC(=O)N1CC(F)(F)C[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000780622069 1204925006 /nfs/dbraw/zinc/92/50/06/1204925006.db2.gz POKPSAJXFBOTCZ-RISCZKNCSA-N 0 0 327.375 2.225 10 10 EECERN CCn1nc(C)c([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000924710033 1206022307 /nfs/dbraw/zinc/02/23/07/1206022307.db2.gz GASYZEXSSUKJCJ-ZDUSSCGKSA-N 0 0 347.438 2.433 10 10 EECERN C[C@@H](NC(=O)NCc1nc2c(s1)COCC2)c1ccccc1O ZINC000927694938 1206291922 /nfs/dbraw/zinc/29/19/22/1206291922.db2.gz FNCAWZUPBVWMQB-SNVBAGLBSA-N 0 0 333.413 2.482 10 10 EECERN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC000928707146 1206413733 /nfs/dbraw/zinc/41/37/33/1206413733.db2.gz BEQPSUYLHMMGMA-GFCCVEGCSA-N 0 0 326.368 2.451 10 10 EECERN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928710260 1206413737 /nfs/dbraw/zinc/41/37/37/1206413737.db2.gz RTNZQEDVMFCLML-QWRGUYRKSA-N 0 0 338.379 2.308 10 10 EECERN CCc1[nH]c(C(=O)NCc2c(O)cccc2F)c(C)c1C(=O)OC ZINC000928707666 1206413818 /nfs/dbraw/zinc/41/38/18/1206413818.db2.gz AELNWPOPCOVBQV-UHFFFAOYSA-N 0 0 334.347 2.447 10 10 EECERN CCn1cc(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000929541375 1206484837 /nfs/dbraw/zinc/48/48/37/1206484837.db2.gz UBCAXDUDJUTOKH-UHFFFAOYSA-N 0 0 341.459 2.489 10 10 EECERN Cc1cc(C(=O)NC2(CCO)CCOCC2)c(C)n1-c1ccccn1 ZINC000779449127 1210312649 /nfs/dbraw/zinc/31/26/49/1210312649.db2.gz LPLXFBHVJWZNMV-UHFFFAOYSA-N 0 0 343.427 2.151 10 10 EECERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cc(OC)ccc2O)n1 ZINC000191858028 1210389677 /nfs/dbraw/zinc/38/96/77/1210389677.db2.gz SQBPLGVKBQMZIE-SECBINFHSA-N 0 0 334.332 2.016 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1F ZINC000081489528 1211219352 /nfs/dbraw/zinc/21/93/52/1211219352.db2.gz QDFVZGONKXLMEW-CQSZACIVSA-N 0 0 349.328 2.100 10 10 EECERN [O-]c1cc(F)c(Cl)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827699133 1248655543 /nfs/dbraw/zinc/65/55/43/1248655543.db2.gz FRLOJDLLOBMYTA-ZDUSSCGKSA-N 0 0 328.815 2.216 10 10 EECERN C/C=C/[C@@H](O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000900509820 1234428760 /nfs/dbraw/zinc/42/87/60/1234428760.db2.gz YVWLKBSIZOGFAA-XYBNCVKDSA-N 0 0 340.370 2.310 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](C(F)F)C1 ZINC000802172068 1237044781 /nfs/dbraw/zinc/04/47/81/1237044781.db2.gz AOVIOCXJIUKGLX-AWEZNQCLSA-N 0 0 327.375 2.237 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(N3CCC3)nc2)c1 ZINC000827303820 1247844928 /nfs/dbraw/zinc/84/49/28/1247844928.db2.gz OULNVGYZQIFPKO-GFCCVEGCSA-N 0 0 327.384 2.497 10 10 EECERN CO[C@H](CS(=O)(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000826984796 1248527605 /nfs/dbraw/zinc/52/76/05/1248527605.db2.gz QXDRZUNUNSLXRT-QGZVFWFLSA-N 0 0 338.473 2.131 10 10 EECERN COCCN(C[C@H](OC)[C@@H]1CCOC1)c1ccc(OC)c(OC)c1 ZINC000851848184 1291886072 /nfs/dbraw/zinc/88/60/72/1291886072.db2.gz ZMYWAHKGTVOINU-KDOFPFPSSA-N 0 0 339.432 2.208 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)on3)C2)cc1 ZINC000852010813 1291951890 /nfs/dbraw/zinc/95/18/90/1291951890.db2.gz SSIDXBTZCNWGTC-ZDUSSCGKSA-N 0 0 330.388 2.070 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cc(C)on3)C2)cc1 ZINC000852010812 1291952064 /nfs/dbraw/zinc/95/20/64/1291952064.db2.gz SSIDXBTZCNWGTC-CYBMUJFWSA-N 0 0 330.388 2.070 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3cnn(C)c3)C2)cc1 ZINC000852142029 1292011495 /nfs/dbraw/zinc/01/14/95/1292011495.db2.gz OTUZVEYMRCPEHA-UKRRQHHQSA-N 0 0 343.431 2.068 10 10 EECERN COC(=O)C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000852603187 1292142573 /nfs/dbraw/zinc/14/25/73/1292142573.db2.gz KJLUJDJODCQONY-INIZCTEOSA-N 0 0 347.459 2.450 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C(=O)C3CCSCC3)C2)cc1 ZINC000853817747 1292469331 /nfs/dbraw/zinc/46/93/31/1292469331.db2.gz LZMFOWCMMKOUBA-CQSZACIVSA-N 0 0 348.468 2.102 10 10 EECERN C[C@@H](NC(=O)N1CC[C@@H](O)C(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000854004768 1292579791 /nfs/dbraw/zinc/57/97/91/1292579791.db2.gz VSCFOXIPHYVECE-BXUZGUMPSA-N 0 0 327.375 2.225 10 10 EECERN CC(=O)N[C@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000854962523 1293003128 /nfs/dbraw/zinc/00/31/28/1293003128.db2.gz LROZOUPHSRCHEQ-SFHVURJKSA-N 0 0 339.439 2.374 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)n3cccn3)C2)cc1 ZINC000855222848 1293115414 /nfs/dbraw/zinc/11/54/14/1293115414.db2.gz BIOUZDORAVOLPL-AWEZNQCLSA-N 0 0 328.416 2.022 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnc([C@@H](C)O)s3)C2)cc1 ZINC000855223213 1293116354 /nfs/dbraw/zinc/11/63/54/1293116354.db2.gz CTDCFRNZJIWOCK-NEPJUHHUSA-N 0 0 347.440 2.214 10 10 EECERN CCCn1nccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855224008 1293116864 /nfs/dbraw/zinc/11/68/64/1293116864.db2.gz DMSUFYDYJXUUOL-AWEZNQCLSA-N 0 0 328.416 2.310 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)Oc3ccccn3)C2)cc1 ZINC000855226283 1293118294 /nfs/dbraw/zinc/11/82/94/1293118294.db2.gz QYAYFCSENDTDRO-HUUCEWRRSA-N 0 0 341.411 2.253 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnn(C(C)C)c3)C2)cc1 ZINC000855227951 1293119989 /nfs/dbraw/zinc/11/99/89/1293119989.db2.gz SEKOYQBAEADARX-HNNXBMFYSA-N 0 0 328.416 2.481 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)/C=C/C3CCOCC3)C2)cc1 ZINC000855231656 1293121785 /nfs/dbraw/zinc/12/17/85/1293121785.db2.gz NDXXAFQLDNVKEA-MPUHIQPUSA-N 0 0 330.428 2.373 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3cnn(C)c3C)C2)cc1 ZINC000855231467 1293121813 /nfs/dbraw/zinc/12/18/13/1293121813.db2.gz AHNASSSKDLNTSC-INIZCTEOSA-N 0 0 342.443 2.065 10 10 EECERN CCOc1ccc(O)c(CNC(c2ccnn2C)c2ccnn2C)c1 ZINC000858322084 1294082584 /nfs/dbraw/zinc/08/25/84/1294082584.db2.gz RLEBIUNHQSPKDG-UHFFFAOYSA-N 0 0 341.415 2.137 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2COCCN2C)cc1 ZINC000858842536 1294241810 /nfs/dbraw/zinc/24/18/10/1294241810.db2.gz SKMJIOILIRKSHL-SFHVURJKSA-N 0 0 348.491 2.005 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000860328216 1294927693 /nfs/dbraw/zinc/92/76/93/1294927693.db2.gz MVWHQUXANHKZDW-ZLKJLUDKSA-N 0 0 337.169 2.036 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCn2nncc2C1 ZINC000862142973 1295718703 /nfs/dbraw/zinc/71/87/03/1295718703.db2.gz USSRFCKERPRPFI-UHFFFAOYSA-N 0 0 349.394 2.154 10 10 EECERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862759241 1295953066 /nfs/dbraw/zinc/95/30/66/1295953066.db2.gz YXEJBMMICXGADU-OCCSQVGLSA-N 0 0 336.457 2.264 10 10 EECERN COc1cc(NS(=O)(=O)c2cc3c(cc2C)OCO3)ccc1O ZINC000797819303 1296530356 /nfs/dbraw/zinc/53/03/56/1296530356.db2.gz DZLZBZXRTODTCB-UHFFFAOYSA-N 0 0 337.353 2.239 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCC[C@H](N(C)C)C(F)(F)F)c1 ZINC000926821443 1296933392 /nfs/dbraw/zinc/93/33/92/1296933392.db2.gz MMOFUIIRXQXHJF-ZDUSSCGKSA-N 0 0 333.354 2.382 10 10 EECERN C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC001119756126 1309190490 /nfs/dbraw/zinc/19/04/90/1309190490.db2.gz DIMCEQVBTDFQLF-AUUYWEPGSA-N 0 0 347.459 2.005 10 10 EECERN COc1ccc(CNC(=O)/C(=C\c2cccs2)NC(C)=O)c(O)c1 ZINC001139033156 1314691617 /nfs/dbraw/zinc/69/16/17/1314691617.db2.gz ZIHPLNIDZWHLNK-OQLLNIDSSA-N 0 0 346.408 2.256 10 10 EECERN Cc1cc(N(C)C)ccc1CN1CCN(CC(F)(F)F)C(=O)C1 ZINC000840947008 1315443230 /nfs/dbraw/zinc/44/32/30/1315443230.db2.gz JKIJICGMANZSBN-UHFFFAOYSA-N 0 0 329.366 2.268 10 10 EECERN Nc1ccc(NC(=O)C(=O)N2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000841085822 1315471567 /nfs/dbraw/zinc/47/15/67/1315471567.db2.gz BWWDCTOBHVGRLS-INIZCTEOSA-N 0 0 331.416 2.015 10 10 EECERN Cc1nnc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1C1CC1 ZINC001153340870 1316814238 /nfs/dbraw/zinc/81/42/38/1316814238.db2.gz XYPFQWCGYCKGBP-UHFFFAOYSA-N 0 0 327.348 2.014 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001153798973 1316885791 /nfs/dbraw/zinc/88/57/91/1316885791.db2.gz ZFKDFMFMPWCWIL-ZIAGYGMSSA-N 0 0 328.324 2.426 10 10 EECERN Cc1c(CS(C)(=O)=O)cccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001293525767 1328742144 /nfs/dbraw/zinc/74/21/44/1328742144.db2.gz OZXUBIIXNDVLFT-UHFFFAOYSA-N 0 0 349.408 2.132 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCOC1CCOCC1 ZINC001157103015 1318405596 /nfs/dbraw/zinc/40/55/96/1318405596.db2.gz URMJXWHLHCNPNL-UHFFFAOYSA-N 0 0 328.405 2.080 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)NCC(OC)OC)c2C)cc1 ZINC001159812565 1319997143 /nfs/dbraw/zinc/99/71/43/1319997143.db2.gz VYUDGMGJSUIRQH-UHFFFAOYSA-N 0 0 332.400 2.451 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](N3CCCC3=O)C2)cc1OC ZINC001162489568 1320873420 /nfs/dbraw/zinc/87/34/20/1320873420.db2.gz KKCXOLNOBOVYLF-GFCCVEGCSA-N 0 0 349.387 2.203 10 10 EECERN COC(=O)c1nc(C(=O)NCc2ccc3cccnc3c2O)cs1 ZINC001299725967 1321994625 /nfs/dbraw/zinc/99/46/25/1321994625.db2.gz PCGPXNGJYIHLKB-UHFFFAOYSA-N 0 0 343.364 2.114 10 10 EECERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](O)[C@@H](C)O)c1 ZINC001261886384 1322193783 /nfs/dbraw/zinc/19/37/83/1322193783.db2.gz BLSOYTPQVUAEJL-WBMJQRKESA-N 0 0 336.819 2.219 10 10 EECERN CC(C)C[C@@H](C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001283078199 1325911256 /nfs/dbraw/zinc/91/12/56/1325911256.db2.gz JSZQDKFRQFMXAG-GFCCVEGCSA-N 0 0 347.419 2.377 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1CSCCSC1 ZINC001290253029 1328166059 /nfs/dbraw/zinc/16/60/59/1328166059.db2.gz QFAJFIJJGJNOKD-ZDUSSCGKSA-N 0 0 339.530 2.454 10 10 EECERN Cc1ccc(C[C@H](CO)NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001296431306 1329890473 /nfs/dbraw/zinc/89/04/73/1329890473.db2.gz MCBBWBVIPIIMJX-MRXNPFEDSA-N 0 0 340.383 2.491 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C(C)(C)C ZINC001298871310 1330129902 /nfs/dbraw/zinc/12/99/02/1330129902.db2.gz NRJTYLNOTVRRSL-JTQLQIEISA-N 0 0 333.392 2.130 10 10 EECERN COC(=O)c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(F)c1 ZINC001301380461 1331297566 /nfs/dbraw/zinc/29/75/66/1331297566.db2.gz XUZQZTDBGGUUOI-XVNBXDOJSA-N 0 0 345.326 2.353 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2C[C@H]2C)cc1 ZINC001323332812 1333442880 /nfs/dbraw/zinc/44/28/80/1333442880.db2.gz OXCTXRYHBLUXNV-GDBMZVCRSA-N 0 0 331.460 2.263 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4nonc4c3)C2)cc1 ZINC001328374404 1334451770 /nfs/dbraw/zinc/45/17/70/1334451770.db2.gz QUCSNMGPRBIGKA-CYBMUJFWSA-N 0 0 338.367 2.240 10 10 EECERN COC(=O)c1cc2ccccc2c(CN(C)Cc2cn(C)nn2)c1O ZINC001330047867 1334768258 /nfs/dbraw/zinc/76/82/58/1334768258.db2.gz XWTOMJMUGSQBQO-UHFFFAOYSA-N 0 0 340.383 2.093 10 10 EECERN CNC(=O)[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001339071667 1336954274 /nfs/dbraw/zinc/95/42/74/1336954274.db2.gz XOQLPDDSHCODCM-JTQLQIEISA-N 0 0 334.397 2.053 10 10 EECERN CC(C)(C)OC(=O)NCc1nocc1C(=O)NCc1ccccc1O ZINC000847589998 1338192650 /nfs/dbraw/zinc/19/26/50/1338192650.db2.gz RXPWBTJTPVILOR-UHFFFAOYSA-N 0 0 347.371 2.335 10 10 EECERN C[C@H](Cc1c[nH]cn1)C(=O)NCc1cc(Br)ccc1O ZINC000848069137 1338482781 /nfs/dbraw/zinc/48/27/81/1338482781.db2.gz QXANLQQLIQLVLH-SECBINFHSA-N 0 0 338.205 2.373 10 10 EECERN [NH3+]C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000848598157 1338727051 /nfs/dbraw/zinc/72/70/51/1338727051.db2.gz HQTQPTJOWWJUSA-QMMMGPOBSA-N 0 0 346.136 2.388 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ncccc1NC(C)=O ZINC001556515860 1342430032 /nfs/dbraw/zinc/43/00/32/1342430032.db2.gz PMLXSWVPKANWGZ-UHFFFAOYSA-N 0 0 334.372 2.161 10 10 EECERN O=C(CSc1nc2ccccc2[nH]1)NCc1ccc(O)cc1O ZINC001557084482 1342440370 /nfs/dbraw/zinc/44/03/70/1342440370.db2.gz AUYWLECVDJEBQM-UHFFFAOYSA-N 0 0 329.381 2.383 10 10 EECERN Cc1nn(CC(F)F)c(C)c1C(=O)NCc1c(O)cccc1O ZINC001558534516 1342480309 /nfs/dbraw/zinc/48/03/09/1342480309.db2.gz SLUPNDPTDNSEIE-UHFFFAOYSA-N 0 0 325.315 2.106 10 10 EECERN COc1ccccc1OCCN(C)C(=O)c1c(F)ccc(O)c1O ZINC001558915948 1342492451 /nfs/dbraw/zinc/49/24/51/1342492451.db2.gz MTJYSHSDGASCLX-UHFFFAOYSA-N 0 0 335.331 2.397 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC001569427882 1342868727 /nfs/dbraw/zinc/86/87/27/1342868727.db2.gz SAJHKTVHZINQJL-GJZGRUSLSA-N 0 0 330.388 2.376 10 10 EECERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1O ZINC001597573503 1349928178 /nfs/dbraw/zinc/92/81/78/1349928178.db2.gz FBCGKONJGWFQTR-AWEZNQCLSA-N 0 0 338.404 2.263 10 10 EECERN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC(=O)N1 ZINC001623549945 1352399697 /nfs/dbraw/zinc/39/96/97/1352399697.db2.gz NRKFXYYBLFAHJU-YOEHRIQHSA-N 0 0 329.444 2.160 10 10 EECERN COC[C@@H](C)CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001623928435 1352409027 /nfs/dbraw/zinc/40/90/27/1352409027.db2.gz MUPWAKTVSQZVPM-NSHDSACASA-N 0 0 343.807 2.220 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCN1CCCc2ccccc21 ZINC001627386332 1352493877 /nfs/dbraw/zinc/49/38/77/1352493877.db2.gz ZHXWNXYOTDOVRP-UHFFFAOYSA-N 0 0 326.396 2.209 10 10 EECERN O=C(Cn1cnc2sccc2c1=O)NCc1cc(Cl)ccc1O ZINC001628666386 1352539735 /nfs/dbraw/zinc/53/97/35/1352539735.db2.gz BYGMUKSPUVKYSR-UHFFFAOYSA-N 0 0 349.799 2.133 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2cn[nH]n2)ccc1C ZINC001629578153 1352555556 /nfs/dbraw/zinc/55/55/56/1352555556.db2.gz XWWGZBXGVKWBAX-UHFFFAOYSA-N 0 0 337.383 2.263 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(F)nc1 ZINC001630480695 1352569330 /nfs/dbraw/zinc/56/93/30/1352569330.db2.gz FUGXWFHEGHKUCZ-UHFFFAOYSA-N 0 0 332.331 2.132 10 10 EECERN Cn1cc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)c2cccnc21 ZINC001632372373 1352596299 /nfs/dbraw/zinc/59/62/99/1352596299.db2.gz ZOBIAJDJMJAFGR-ALCCZGGFSA-N 0 0 337.379 2.357 10 10 EECERN O=C(CCc1nnc(-c2ccsc2)o1)NCc1cccc(O)c1O ZINC001643809409 1352751814 /nfs/dbraw/zinc/75/18/14/1352751814.db2.gz MUJOPSVQJXYBKI-UHFFFAOYSA-N 0 0 345.380 2.458 10 10 EECERN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1cc(O)ccc1O ZINC001651222835 1354044846 /nfs/dbraw/zinc/04/48/46/1354044846.db2.gz QNDXJVYIPUCTLZ-UHFFFAOYSA-N 0 0 344.396 2.193 10 10 EECERN C[C@H](NCc1nc2ncc(Br)cn2n1)c1ccccc1O ZINC001655349860 1354170873 /nfs/dbraw/zinc/17/08/73/1354170873.db2.gz WHZXJVKFMSAFTB-VIFPVBQESA-N 0 0 348.204 2.443 10 10 EECERN CCC/C=C\[C@@H](O)C(=O)NCc1cc(Br)ccc1O ZINC000908169878 785133597 /nfs/dbraw/zinc/13/35/97/785133597.db2.gz CFLQIIWHJQALPO-DSYXLKISSA-N 0 0 328.206 2.488 10 10 EECERN Nc1ccc(CCNC(=O)c2cnn(CCC(F)(F)F)c2)cc1 ZINC000818545222 785288716 /nfs/dbraw/zinc/28/87/16/785288716.db2.gz QIASCHAIUHEWRB-UHFFFAOYSA-N 0 0 326.322 2.390 10 10 EECERN CCOC(=O)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)on1 ZINC000822265438 787099127 /nfs/dbraw/zinc/09/91/27/787099127.db2.gz QNYXXVDNVOGPBZ-UHFFFAOYSA-N 0 0 331.372 2.190 10 10 EECERN Cc1ccn([C@H](C)CC(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000823292827 787681245 /nfs/dbraw/zinc/68/12/45/787681245.db2.gz SGTFZNHCBHMNJP-MRXNPFEDSA-N 0 0 342.443 2.296 10 10 EECERN CO[C@@H]1COCC[C@H]1CC(=O)NCCCSc1nccs1 ZINC000823297644 787686231 /nfs/dbraw/zinc/68/62/31/787686231.db2.gz FPRAFZIYDBBZLV-NWDGAFQWSA-N 0 0 330.475 2.183 10 10 EECERN Cn1nnc(C(=O)NCc2cc(Cl)ccc2O)c1C(F)(F)F ZINC000911897876 787802417 /nfs/dbraw/zinc/80/24/17/787802417.db2.gz LHTUZMXEMTZLGU-UHFFFAOYSA-N 0 0 334.685 2.123 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)nnc2N(C)C)c1 ZINC000824534369 788205750 /nfs/dbraw/zinc/20/57/50/788205750.db2.gz DAASRJUTCOMCPH-NSHDSACASA-N 0 0 345.403 2.448 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCCC(=O)[C@@H]3C)C2)cc1 ZINC000923189599 789090476 /nfs/dbraw/zinc/09/04/76/789090476.db2.gz YQYUBYHKJRRKFX-KBPBESRZSA-N 0 0 331.416 2.037 10 10 EECERN COC1(C[C@@H]2NC(=O)N(Cc3ccc(N(C)C)c(F)c3)C2=O)CCC1 ZINC000844720420 789325020 /nfs/dbraw/zinc/32/50/20/789325020.db2.gz MWOUWPDDSDPXRY-AWEZNQCLSA-N 0 0 349.406 2.271 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CSCc2cnn(C)c2)cc1 ZINC000845334372 789737170 /nfs/dbraw/zinc/73/71/70/789737170.db2.gz TYNWXALNVPRQQX-UHFFFAOYSA-N 0 0 332.473 2.378 10 10 EECERN COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000846047054 790036793 /nfs/dbraw/zinc/03/67/93/790036793.db2.gz ITLMBNICJPZHRE-NWDGAFQWSA-N 0 0 330.222 2.045 10 10 EECERN CCc1noc(C)c1NC(=O)C(=O)NCc1cc(Cl)ccc1O ZINC000846120626 790057023 /nfs/dbraw/zinc/05/70/23/790057023.db2.gz BTVUZQAVMIUBGN-UHFFFAOYSA-N 0 0 337.763 2.159 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2oc(CO)cc2C)cc1 ZINC000846441924 790182946 /nfs/dbraw/zinc/18/29/46/790182946.db2.gz GIXKQIKHAKPWDC-UHFFFAOYSA-N 0 0 332.400 2.297 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000846475352 790193549 /nfs/dbraw/zinc/19/35/49/790193549.db2.gz CRKQXEUGGWJRIK-NSHDSACASA-N 0 0 346.818 2.393 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)c1 ZINC001147961741 792088369 /nfs/dbraw/zinc/08/83/69/792088369.db2.gz IOAIGOREPBFVTH-UHFFFAOYSA-N 0 0 331.372 2.309 10 10 EECERN CN(C)c1ccc(CNC(=O)NC[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000913927161 794591257 /nfs/dbraw/zinc/59/12/57/794591257.db2.gz WHGFVXWZLCSUHN-QGZVFWFLSA-N 0 0 347.459 2.280 10 10 EECERN Cn1nnc2c1C[C@H](C(=O)NCc1c(O)ccc3ccccc31)CC2 ZINC000952995093 796138645 /nfs/dbraw/zinc/13/86/45/796138645.db2.gz CRRLMFSKRBNJCE-CYBMUJFWSA-N 0 0 336.395 2.095 10 10 EECERN COc1ccc(C=O)c(OCC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001171723231 796704777 /nfs/dbraw/zinc/70/47/77/796704777.db2.gz PDUOZYJAEMQXTE-GFCCVEGCSA-N 0 0 329.352 2.470 10 10 EECERN O=C(NCCCSc1nccs1)N1C[C@@H](O)CC(F)(F)C1 ZINC000786788666 806891768 /nfs/dbraw/zinc/89/17/68/806891768.db2.gz IAOXMBNWBBTPHW-VIFPVBQESA-N 0 0 337.417 2.037 10 10 EECERN COCCN(C(=O)NCCCSc1nccs1)[C@H]1CCOC1 ZINC000787285154 807066970 /nfs/dbraw/zinc/06/69/70/807066970.db2.gz WQVJZHGDFWUQKH-LBPRGKRZSA-N 0 0 345.490 2.072 10 10 EECERN CCOC(=O)CC1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCC1 ZINC000790360581 808623521 /nfs/dbraw/zinc/62/35/21/808623521.db2.gz JUULCSFFZFGWNO-VURMDHGXSA-N 0 0 333.384 2.493 10 10 EECERN COc1ccc(CNC(=O)C[C@H](NC(C)=O)c2ccccc2)c(O)c1 ZINC000794375992 810803391 /nfs/dbraw/zinc/80/33/91/810803391.db2.gz ABHUSRKKXWHLET-KRWDZBQOSA-N 0 0 342.395 2.285 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000808510192 812681555 /nfs/dbraw/zinc/68/15/55/812681555.db2.gz IEVLNESAFYDWHQ-RYUDHWBXSA-N 0 0 325.158 2.254 10 10 EECERN CC(=O)C(=O)COC(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000808530878 812702345 /nfs/dbraw/zinc/70/23/45/812702345.db2.gz FSOUCQIVZGLBAB-UHFFFAOYSA-N 0 0 335.356 2.277 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001566358647 1125597084 /nfs/dbraw/zinc/59/70/84/1125597084.db2.gz IVLIPVYNONDTNH-UHFFFAOYSA-N 0 0 339.351 2.418 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](N2CCCC2=O)CC1 ZINC001451417154 1097634424 /nfs/dbraw/zinc/63/44/24/1097634424.db2.gz LRHNIHQUGPXWNI-VFADXPBXSA-N 0 0 344.411 2.115 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccccc1O ZINC001451907996 1098024837 /nfs/dbraw/zinc/02/48/37/1098024837.db2.gz CWLPSVWSZNXORS-UHFFFAOYSA-N 0 0 329.352 2.303 10 10 EECERN CCOc1ccc(N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)cc1 ZINC001446416789 1100827876 /nfs/dbraw/zinc/82/78/76/1100827876.db2.gz RPLXOILZAZWOLA-UHFFFAOYSA-N 0 0 342.443 2.435 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC1([C@H](O)c2ccccc2)CC1 ZINC001446557483 1101034980 /nfs/dbraw/zinc/03/49/80/1101034980.db2.gz SFRPNWNGEDXCPT-GOSISDBHSA-N 0 0 327.380 2.270 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001455313489 1108420405 /nfs/dbraw/zinc/42/04/05/1108420405.db2.gz BSCFHPDEBPKMFA-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN Cn1cnc(/C=C/C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c1 ZINC001457141704 1109486389 /nfs/dbraw/zinc/48/63/89/1109486389.db2.gz RMSPNBDFCSQURA-OZSKJFCKSA-N 0 0 333.395 2.460 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2ccc(CO)nc2)cc1F ZINC001465008136 1110409213 /nfs/dbraw/zinc/40/92/13/1110409213.db2.gz WMKZBZBVMKJQNR-UHFFFAOYSA-N 0 0 331.391 2.489 10 10 EECERN COc1ccc(N2CCN(C(=O)C3(c4cccnc4)CC3)CC2)cc1 ZINC001465889657 1110425359 /nfs/dbraw/zinc/42/53/59/1110425359.db2.gz JEDRUEJEPLMBAP-UHFFFAOYSA-N 0 0 337.423 2.471 10 10 EECERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2Cc3cccc(O)c3C2)s1 ZINC001472859171 1110564677 /nfs/dbraw/zinc/56/46/77/1110564677.db2.gz AOENDJWAILLIQQ-UHFFFAOYSA-N 0 0 340.382 2.286 10 10 EECERN C/C=C(\C)C(=O)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001506115602 1114415537 /nfs/dbraw/zinc/41/55/37/1114415537.db2.gz ZJAHDFLRQUMMKT-GCSLDSFSSA-N 0 0 343.387 2.194 10 10 EECERN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1[C@H]1C[C@H]1C ZINC001509600990 1115869174 /nfs/dbraw/zinc/86/91/74/1115869174.db2.gz XJRMPSFGNGXLTL-OCCSQVGLSA-N 0 0 343.431 2.339 10 10 EECERN CN(CCCNC(=O)C1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001523334121 1119756904 /nfs/dbraw/zinc/75/69/04/1119756904.db2.gz RPOVCVJSUNNEHR-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(N2CCOCC2)cc1 ZINC001540357570 1124080774 /nfs/dbraw/zinc/08/07/74/1124080774.db2.gz XIACSVQNJQVMTI-UHFFFAOYSA-N 0 0 328.368 2.116 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CNC(=O)N1CCCC1 ZINC001540567490 1124086876 /nfs/dbraw/zinc/08/68/76/1124086876.db2.gz NXGMIZQMUHXXAV-UHFFFAOYSA-N 0 0 344.459 2.051 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccoc1CC(=O)OC ZINC001568737765 1124752362 /nfs/dbraw/zinc/75/23/62/1124752362.db2.gz LWDQDXULWUASSJ-UHFFFAOYSA-N 0 0 338.356 2.116 10 10 EECERN C[C@@H](CN1CCCC1=O)NC(=O)/C=C/c1ccc2c(c1)CCCN2C ZINC000058392944 132803990 /nfs/dbraw/zinc/80/39/90/132803990.db2.gz WZJPHEKPHALAMW-HQPKTYMTSA-N 0 0 341.455 2.209 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1 ZINC000527756702 317257569 /nfs/dbraw/zinc/25/75/69/317257569.db2.gz FXVLPAMEXMKPRS-OLZOCXBDSA-N 0 0 330.222 2.093 10 10 EECERN NS(=O)(=O)c1ccc2c(c1)/C(=C/c1c[nH]c3ccccc13)C(=O)N2 ZINC000013538921 462893700 /nfs/dbraw/zinc/89/37/00/462893700.db2.gz AFTGOSQNWXOYGE-AUWJEWJLSA-N 0 0 339.376 2.308 10 10 in-vitro EECERN Cc1cnc(CCN(C)CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000157677827 463156027 /nfs/dbraw/zinc/15/60/27/463156027.db2.gz CPUYSBTXXWOTLH-UHFFFAOYSA-N 0 0 346.500 2.308 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCOC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000159646920 463297821 /nfs/dbraw/zinc/29/78/21/463297821.db2.gz CBXIIPUXFYTHOF-SEJWUHKESA-N 0 0 332.356 2.396 10 10 EECERN CN(C)c1ccc(CN(CC2CC2)C(=O)CN2CSCC2=O)cc1 ZINC000069900384 463348397 /nfs/dbraw/zinc/34/83/97/463348397.db2.gz INUBANJFMQSTJZ-UHFFFAOYSA-N 0 0 347.484 2.024 10 10 EECERN COc1cc(Br)cc([C@H]2NC(=O)[C@@H]3CCCCN32)c1O ZINC000071967752 463478556 /nfs/dbraw/zinc/47/85/56/463478556.db2.gz KUDDFZMZRHUJMS-GWCFXTLKSA-N 0 0 341.205 2.146 10 10 EECERN COc1cc(Cl)cc(CN2CCO[C@@]3(CCCOC3)C2)c1O ZINC000289575360 464085354 /nfs/dbraw/zinc/08/53/54/464085354.db2.gz STVWUMRKLLHAGZ-INIZCTEOSA-N 0 0 327.808 2.436 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)[C@H]1CSCN1C(=O)CC ZINC000263924802 464241029 /nfs/dbraw/zinc/24/10/29/464241029.db2.gz AHGNVSWQGMRDLS-CQSZACIVSA-N 0 0 336.457 2.442 10 10 EECERN COc1cc(Cl)cc(CN2CCOC[C@@H]2c2nc(C)no2)c1O ZINC000188469201 464288832 /nfs/dbraw/zinc/28/88/32/464288832.db2.gz HGXKOKMUNHELBQ-GFCCVEGCSA-N 0 0 339.779 2.319 10 10 EECERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)c(C)n1-c1ccccc1 ZINC000188923332 464397540 /nfs/dbraw/zinc/39/75/40/464397540.db2.gz AFYWMPBXVIOHOF-OAHLLOKOSA-N 0 0 325.412 2.445 10 10 EECERN CON(C)C(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294059543 464431398 /nfs/dbraw/zinc/43/13/98/464431398.db2.gz XQJVRKWJAXCLAI-UHFFFAOYSA-N 0 0 330.787 2.417 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000273433900 464714475 /nfs/dbraw/zinc/71/44/75/464714475.db2.gz WKIZAHURFGMUOH-CYBMUJFWSA-N 0 0 348.443 2.476 10 10 EECERN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(C)c1O ZINC000191546430 464820121 /nfs/dbraw/zinc/82/01/21/464820121.db2.gz OLSVNCIWNZFBIV-UHFFFAOYSA-N 0 0 332.425 2.171 10 10 EECERN C[N@H+](CCCO)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295508060 464863081 /nfs/dbraw/zinc/86/30/81/464863081.db2.gz YYDPVCIPPBMBEN-UHFFFAOYSA-N 0 0 330.831 2.463 10 10 EECERN CN(CC1(O)CCCCCC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000302439887 466140706 /nfs/dbraw/zinc/14/07/06/466140706.db2.gz QGKRIJZLYHSMSG-UHFFFAOYSA-N 0 0 349.387 2.447 10 10 EECERN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC(=O)C1 ZINC000367960124 466559636 /nfs/dbraw/zinc/55/96/36/466559636.db2.gz QZRGVCYRYPKRJU-AWEZNQCLSA-N 0 0 336.819 2.105 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000374189168 467030379 /nfs/dbraw/zinc/03/03/79/467030379.db2.gz GZRQMYYFIIRMDS-NUEKZKHPSA-N 0 0 345.443 2.323 10 10 EECERN CO[C@H](C)c1cccc(NC(=O)C(=O)NCc2ccccc2O)c1 ZINC000727035045 576390114 /nfs/dbraw/zinc/39/01/14/576390114.db2.gz BZYWUCDBINXCOI-GFCCVEGCSA-N 0 0 328.368 2.355 10 10 EECERN CCN(CC(=O)OC)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728708564 576520285 /nfs/dbraw/zinc/52/02/85/576520285.db2.gz AEYDSQJZNKUQME-UHFFFAOYSA-N 0 0 343.379 2.324 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000729535200 576663241 /nfs/dbraw/zinc/66/32/41/576663241.db2.gz MTPXSYUBIXCJTN-CHWSQXEVSA-N 0 0 342.395 2.397 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCC12OCCO2 ZINC000774015039 577378337 /nfs/dbraw/zinc/37/83/37/577378337.db2.gz VVQXIECWJRAGAZ-AWEZNQCLSA-N 0 0 332.400 2.021 10 10 EECERN COc1c(O)c(CNc2ccc3c(c2)OCC(=O)N3)ccc1[N+](=O)[O-] ZINC000775060043 577428288 /nfs/dbraw/zinc/42/82/88/577428288.db2.gz FWDZSVSIOWAIFK-UHFFFAOYSA-N 0 0 345.311 2.252 10 10 EECERN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cncnc1 ZINC000763985075 577729108 /nfs/dbraw/zinc/72/91/08/577729108.db2.gz FXLMUKKXZMYNSB-HNNXBMFYSA-N 0 0 340.427 2.075 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ncc2ccccc21 ZINC000753645824 577791218 /nfs/dbraw/zinc/79/12/18/577791218.db2.gz YLQYXRBBOOBWOO-GFCCVEGCSA-N 0 0 325.368 2.195 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCC(=O)CC1 ZINC000746016148 577921335 /nfs/dbraw/zinc/92/13/35/577921335.db2.gz QSGXROIFYCSDJL-UHFFFAOYSA-N 0 0 330.428 2.241 10 10 EECERN CC(=O)c1cc(Cl)cc(CN(C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000750049013 577986291 /nfs/dbraw/zinc/98/62/91/577986291.db2.gz RCWXVZKQWRFUEF-LLVKDONJSA-N 0 0 345.848 2.115 10 10 EECERN CCc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000740490573 578095932 /nfs/dbraw/zinc/09/59/32/578095932.db2.gz FZLSDXVKYMKQEB-UHFFFAOYSA-N 0 0 342.399 2.092 10 10 EECERN COc1cccc(CNC(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000924501092 679362521 /nfs/dbraw/zinc/36/25/21/679362521.db2.gz CNKDLRVYZSYXSC-JQWIXIFHSA-N 0 0 348.321 2.310 10 10 EECERN COC(=O)c1c(CN2CC[C@](F)(CO)C2)c2cc(F)ccc2n1C ZINC000894686298 683030526 /nfs/dbraw/zinc/03/05/26/683030526.db2.gz IGLTZGMEAUWRGT-QGZVFWFLSA-N 0 0 338.354 2.010 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(C)C2=O)cc1F ZINC000294463955 683298955 /nfs/dbraw/zinc/29/89/55/683298955.db2.gz CHYIIXKXKIFLTQ-CQSZACIVSA-N 0 0 335.423 2.157 10 10 EECERN COc1ccc([C@H](CC(=O)Nc2ccc(N)cc2)NC(C)=O)cc1 ZINC000237256176 684320538 /nfs/dbraw/zinc/32/05/38/684320538.db2.gz AMQZKVFFELTOOY-KRWDZBQOSA-N 0 0 327.384 2.483 10 10 EECERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896463634 684994795 /nfs/dbraw/zinc/99/47/95/684994795.db2.gz DXVKSELEWITTQW-PCVAMMEBSA-N 0 0 339.438 2.294 10 10 EECERN COCCOC[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896675737 685176626 /nfs/dbraw/zinc/17/66/26/685176626.db2.gz STUXFGDHCAAVJX-SECBINFHSA-N 0 0 325.386 2.094 10 10 EECERN CC(=O)O[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897162718 686204780 /nfs/dbraw/zinc/20/47/80/686204780.db2.gz WNPUIYSYFLRTTK-NSHDSACASA-N 0 0 335.381 2.480 10 10 EECERN Cc1nc(C)n(C2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)n1 ZINC000897659728 691733068 /nfs/dbraw/zinc/73/30/68/691733068.db2.gz NRLUYOACUUMJBJ-UHFFFAOYSA-N 0 0 344.396 2.218 10 10 EECERN O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1c2nonc2ccc1Cl ZINC001271356678 1186159856 /nfs/dbraw/zinc/15/98/56/1186159856.db2.gz PLKVINYKUPZMQU-MRVPVSSYSA-N 0 0 343.792 2.030 10 10 EECERN Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1-c1ccn(C)n1 ZINC001142533650 1188238136 /nfs/dbraw/zinc/23/81/36/1188238136.db2.gz PBJSKLUIWYMOJE-UHFFFAOYSA-N 0 0 340.383 2.169 10 10 EECERN COCc1nnc(N(C)Cc2ccccc2O)n1Cc1cc(C)on1 ZINC000871470527 1197746015 /nfs/dbraw/zinc/74/60/15/1197746015.db2.gz NUWJDJKSUFPKNK-UHFFFAOYSA-N 0 0 343.387 2.111 10 10 EECERN Cc1nccnc1[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000871914121 1197970791 /nfs/dbraw/zinc/97/07/91/1197970791.db2.gz KFRIMOSNTVIFFI-LBPRGKRZSA-N 0 0 326.356 2.016 10 10 EECERN CCO[C@@H](C(=O)NCCCSc1nccs1)[C@H]1CCOC1 ZINC000865784980 1198373978 /nfs/dbraw/zinc/37/39/78/1198373978.db2.gz KYIKJDCIZGLCDL-NWDGAFQWSA-N 0 0 330.475 2.183 10 10 EECERN Cc1cc(CC(=O)N(C)CCS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000825779241 1199210649 /nfs/dbraw/zinc/21/06/49/1199210649.db2.gz ILLGSOOPFPJMDZ-UHFFFAOYSA-N 0 0 348.468 2.140 10 10 EECERN Cc1cc(C(=O)NC[C@@H](O)[C@@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000871127385 1201062995 /nfs/dbraw/zinc/06/29/95/1201062995.db2.gz CCKVTWTTZOLIFX-MLGOLLRUSA-N 0 0 336.819 2.219 10 10 EECERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201495 1201098275 /nfs/dbraw/zinc/09/82/75/1201098275.db2.gz WDOJAESRVLFMSO-FZMZJTMJSA-N 0 0 334.441 2.182 10 10 EECERN C[C@H](NC(=O)CCc1ccnn1C)c1ccc(N2CCOCC2)cc1 ZINC000120949648 1201457670 /nfs/dbraw/zinc/45/76/70/1201457670.db2.gz CPUJIEUCIMKHSY-HNNXBMFYSA-N 0 0 342.443 2.067 10 10 EECERN CC(C)Oc1cncc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 ZINC000867691399 1201659903 /nfs/dbraw/zinc/65/99/03/1201659903.db2.gz VLFNRFNBOLRZIU-UHFFFAOYSA-N 0 0 334.397 2.279 10 10 EECERN CCCCn1cc(S(=O)(=O)N2Cc3cccc(O)c3C2)c(C)n1 ZINC000867690534 1201660097 /nfs/dbraw/zinc/66/00/97/1201660097.db2.gz HGKJCPMJJNJOSX-UHFFFAOYSA-N 0 0 335.429 2.402 10 10 EECERN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccc(N)cc2)no1 ZINC000868025797 1201729063 /nfs/dbraw/zinc/72/90/63/1201729063.db2.gz VTYBLXTUPGGEBT-VHRNVKJDSA-N 0 0 326.400 2.440 10 10 EECERN C[C@H](NC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1ccccc1O ZINC000868784398 1201878928 /nfs/dbraw/zinc/87/89/28/1201878928.db2.gz HMGQMJGBWDFZFW-KBPBESRZSA-N 0 0 346.431 2.043 10 10 EECERN O=C(C[C@H]1CC[C@H](C(F)(F)F)O1)OCC(=O)c1ccc(O)c(O)c1 ZINC000923720110 1205902147 /nfs/dbraw/zinc/90/21/47/1205902147.db2.gz AXQKKSAALPJING-NOZJJQNGSA-N 0 0 348.273 2.324 10 10 EECERN CN1CCCc2cc(CN3C(=O)N4CCC[C@@H]5C[C@@]54C3=O)ccc21 ZINC000924541557 1205993187 /nfs/dbraw/zinc/99/31/87/1205993187.db2.gz CWBCOQURLXWFKH-BEFAXECRSA-N 0 0 325.412 2.386 10 10 EECERN Cn1ccc(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)n1 ZINC000928208169 1206360188 /nfs/dbraw/zinc/36/01/88/1206360188.db2.gz JTUXYWIUYHVLGM-HWKANZROSA-N 0 0 327.384 2.251 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)cc1 ZINC000082320261 1211344845 /nfs/dbraw/zinc/34/48/45/1211344845.db2.gz YUEWDWYFQAAWCC-UHFFFAOYSA-N 0 0 326.400 2.064 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C(=O)C3CC3)C2)c1O ZINC000801542527 1235807539 /nfs/dbraw/zinc/80/75/39/1235807539.db2.gz GONMAECYLFJLND-OAHLLOKOSA-N 0 0 337.803 2.428 10 10 EECERN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000827164892 1250320070 /nfs/dbraw/zinc/32/00/70/1250320070.db2.gz RUTRXYFAFSUBBG-CABZTGNLSA-N 0 0 333.837 2.110 10 10 EECERN CN(C)c1ccc(CN(C)S(=O)(=O)CCC[C@H]2CCOC2)cc1 ZINC000826918493 1248122707 /nfs/dbraw/zinc/12/27/07/1248122707.db2.gz WXYLEHBGRIQEGH-INIZCTEOSA-N 0 0 340.489 2.331 10 10 EECERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCC[C@@H]2CCOC2)c1 ZINC000827195327 1250676483 /nfs/dbraw/zinc/67/64/83/1250676483.db2.gz ZBISVHPZAVDQMJ-CHWSQXEVSA-N 0 0 343.445 2.198 10 10 EECERN C[C@@H]([NH2+][C@H]1CCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000850480953 1277238814 /nfs/dbraw/zinc/23/88/14/1277238814.db2.gz GAQPPCAMKMHPKB-LDWIPMOCSA-N 0 0 333.613 2.347 10 10 EECERN CN(C)c1ccc(CN(Cc2coc(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000851732624 1277734227 /nfs/dbraw/zinc/73/42/27/1277734227.db2.gz VMFFGJYARCUWGK-UHFFFAOYSA-N 0 0 349.456 2.158 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccn(C(C)(C)C)c1=O ZINC000867302477 1285518104 /nfs/dbraw/zinc/51/81/04/1285518104.db2.gz PHJQHEPPGTYEMR-LBPRGKRZSA-N 0 0 344.411 2.376 10 10 EECERN CCC[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000852361619 1292099215 /nfs/dbraw/zinc/09/92/15/1292099215.db2.gz FSSZDHOGLAOQPW-RHSMWYFYSA-N 0 0 335.448 2.388 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3csnn3)C2)cc1 ZINC000852382262 1292102140 /nfs/dbraw/zinc/10/21/40/1292102140.db2.gz DRWOKGYKHZBBLU-NWDGAFQWSA-N 0 0 347.444 2.186 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](CO)C1CCC1 ZINC000852383543 1292103485 /nfs/dbraw/zinc/10/34/85/1292103485.db2.gz DLURTPMOBZPTDX-KBXCAEBGSA-N 0 0 333.476 2.452 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000852906800 1292231516 /nfs/dbraw/zinc/23/15/16/1292231516.db2.gz STYFXBNKWDDCFK-GVDBMIGSSA-N 0 0 330.428 2.392 10 10 EECERN CCOC[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854299223 1292710084 /nfs/dbraw/zinc/71/00/84/1292710084.db2.gz GQTNUBFETCAWEB-HZPDHXFCSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](SC)C3)C2)cc1 ZINC000854298226 1292710558 /nfs/dbraw/zinc/71/05/58/1292710558.db2.gz YMIIDASAJQIGLJ-CZUORRHYSA-N 0 0 335.473 2.421 10 10 EECERN CN1CCC[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1=O ZINC000854512647 1292822280 /nfs/dbraw/zinc/82/22/80/1292822280.db2.gz BHCAQRMLCQATKE-ZDUSSCGKSA-N 0 0 349.394 2.203 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3Cl)C2)cc1 ZINC000855226665 1293118241 /nfs/dbraw/zinc/11/82/41/1293118241.db2.gz PNOLHYQPBSSMOH-NSHDSACASA-N 0 0 334.807 2.091 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000855234898 1293123021 /nfs/dbraw/zinc/12/30/21/1293123021.db2.gz PSRJHFQACDTSFP-AWEZNQCLSA-N 0 0 340.379 2.433 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCc4n[nH]cc43)C2)cc1 ZINC000855234022 1293123315 /nfs/dbraw/zinc/12/33/15/1293123315.db2.gz QTKXEFUXXKNWDY-CZUORRHYSA-N 0 0 340.427 2.233 10 10 EECERN CCON(CC)C(=O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000858219021 1294049402 /nfs/dbraw/zinc/04/94/02/1294049402.db2.gz CGRSTXGKIMZGDS-UHFFFAOYSA-N 0 0 331.210 2.044 10 10 EECERN COC(=O)[C@H]1CSCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862394224 1295824894 /nfs/dbraw/zinc/82/48/94/1295824894.db2.gz FGUHTAMTLYIKQT-GFCCVEGCSA-N 0 0 344.427 2.369 10 10 EECERN Cc1cc(CNC(=O)[C@@H](O)C2CCOCC2)c(C)n1-c1ccccc1 ZINC000863165574 1296135333 /nfs/dbraw/zinc/13/53/33/1296135333.db2.gz GEMRKVIYQWCORR-IBGZPJMESA-N 0 0 342.439 2.498 10 10 EECERN O=C(NCCCSc1nccs1)NCC[C@H](O)C(F)(F)F ZINC000798438311 1304998979 /nfs/dbraw/zinc/99/89/79/1304998979.db2.gz YZPZJAGJWACXAH-QMMMGPOBSA-N 0 0 343.396 2.238 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC001116787553 1305918311 /nfs/dbraw/zinc/91/83/11/1305918311.db2.gz OYBBVRUEPIAZFP-MAUKXSAKSA-N 0 0 332.444 2.407 10 10 EECERN CC(C)[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC001118604503 1308898224 /nfs/dbraw/zinc/89/82/24/1308898224.db2.gz LBSAWMCHPCSLTN-GOSISDBHSA-N 0 0 343.471 2.236 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@H](C3CCC3)C2)cc1 ZINC000839623748 1315222283 /nfs/dbraw/zinc/22/22/83/1315222283.db2.gz SAXFMMSYQWLGNO-IBGZPJMESA-N 0 0 345.487 2.212 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCCC3)[C@H]2CCC[C@@H]21 ZINC000840142074 1315306722 /nfs/dbraw/zinc/30/67/22/1315306722.db2.gz BPRWYSRSEQHMQM-WMZOPIPTSA-N 0 0 335.469 2.423 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cc[nH]c(=O)c1Br ZINC001303876355 1319886478 /nfs/dbraw/zinc/88/64/78/1319886478.db2.gz YSIXZHNZRVFKLT-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1ccc2[nH]c(CO)nc2c1 ZINC001165507869 1321536589 /nfs/dbraw/zinc/53/65/89/1321536589.db2.gz ITSGBYZRZKOGNC-UHFFFAOYSA-N 0 0 331.759 2.344 10 10 EECERN CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261863593 1322189588 /nfs/dbraw/zinc/18/95/88/1322189588.db2.gz FSLLINZANADNPT-UONOGXRCSA-N 0 0 348.468 2.367 10 10 EECERN C[C@]1(C(=O)[O-])C[C@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC001262164854 1322250566 /nfs/dbraw/zinc/25/05/66/1322250566.db2.gz WZTXCFMWNBCUOO-YMTOWFKASA-N 0 0 344.205 2.267 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1O[C@H]1CCOC1 ZINC001294663750 1329114578 /nfs/dbraw/zinc/11/45/78/1329114578.db2.gz FOBWMYAOZYCRQD-ZDUSSCGKSA-N 0 0 329.352 2.447 10 10 EECERN CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001287890423 1327558801 /nfs/dbraw/zinc/55/88/01/1327558801.db2.gz YFQFAJLTPOAZLO-RISCZKNCSA-N 0 0 345.403 2.368 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2n[nH]nc2cc1F ZINC001297562645 1329983898 /nfs/dbraw/zinc/98/38/98/1329983898.db2.gz OMDSWWFFAFDPII-UHFFFAOYSA-N 0 0 335.335 2.218 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CNC(=O)C(C)(C)C ZINC001297765549 1330003143 /nfs/dbraw/zinc/00/31/43/1330003143.db2.gz KVGJNYSPXZZSJN-LLVKDONJSA-N 0 0 347.419 2.377 10 10 EECERN Cc1csc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC001298178088 1330043150 /nfs/dbraw/zinc/04/31/50/1330043150.db2.gz AZCBLZUYSAAGJH-UHFFFAOYSA-N 0 0 340.426 2.064 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc2[nH]c(=O)n(C3CC3)c2c1 ZINC001303225361 1331350490 /nfs/dbraw/zinc/35/04/90/1331350490.db2.gz GRVSKISGIBJKGZ-UHFFFAOYSA-N 0 0 339.351 2.418 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC001319414858 1332697954 /nfs/dbraw/zinc/69/79/54/1332697954.db2.gz KJSPVLGPJFSGBH-WVRJYTFGSA-N 0 0 334.372 2.380 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001324135442 1333616309 /nfs/dbraw/zinc/61/63/09/1333616309.db2.gz CSHXSTVEMYYVOO-BJWYYQGGSA-N 0 0 329.444 2.016 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001325973900 1334009026 /nfs/dbraw/zinc/00/90/26/1334009026.db2.gz NVIHIUQCYVQDCD-LLLHUVSDSA-N 0 0 343.471 2.023 10 10 EECERN CN1CCCc2cc(CNC(=O)N3C[C@H]4COC[C@]4(C)C3)ccc21 ZINC001328024176 1334380462 /nfs/dbraw/zinc/38/04/62/1334380462.db2.gz NMFMZSTUNZIXIF-LPHOPBHVSA-N 0 0 329.444 2.247 10 10 EECERN C[C@]1(C(F)F)CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001330435737 1334844277 /nfs/dbraw/zinc/84/42/77/1334844277.db2.gz YXQSLUFQUSQSIJ-QGZVFWFLSA-N 0 0 326.387 2.379 10 10 EECERN C[C@@H](NC(=O)C(=O)N[C@H]1CCS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001332948596 1335935186 /nfs/dbraw/zinc/93/51/86/1335935186.db2.gz NSXMBFHQHCBVMM-NFAWXSAZSA-N 0 0 349.500 2.330 10 10 EECERN C[C@@H](NC(=O)C(=O)N1CCCSC[C@H]1C)c1ccc(N(C)C)cc1 ZINC001332949614 1335936446 /nfs/dbraw/zinc/93/64/46/1335936446.db2.gz WWSMNOZJIIYBAO-ZIAGYGMSSA-N 0 0 349.500 2.284 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@]1(C)CC1(C)C ZINC001350466791 1337715372 /nfs/dbraw/zinc/71/53/72/1337715372.db2.gz YRVQKDLWBAXHRQ-IBGZPJMESA-N 0 0 331.460 2.230 10 10 EECERN COC(=O)Cc1ccc(NCc2c(O)cccc2O)c([N+](=O)[O-])c1 ZINC001559287829 1342500151 /nfs/dbraw/zinc/50/01/51/1342500151.db2.gz FTAOVIGWVHETBP-UHFFFAOYSA-N 0 0 332.312 2.334 10 10 EECERN CCCC(=O)NC1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001677745629 1357403152 /nfs/dbraw/zinc/40/31/52/1357403152.db2.gz NCJJBSUZXIOPDC-UHFFFAOYSA-N 0 0 345.403 2.274 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H](O)c1ccc(Cl)cc1F ZINC001593881054 1349873121 /nfs/dbraw/zinc/87/31/21/1349873121.db2.gz DJDACLIDZBRNAZ-AWEZNQCLSA-N 0 0 325.723 2.240 10 10 EECERN CCOc1ccc(N2CCN(C(=O)COc3ccsn3)CC2)cc1 ZINC001596732788 1349911566 /nfs/dbraw/zinc/91/15/66/1349911566.db2.gz HPSIDAXMPCREAW-UHFFFAOYSA-N 0 0 347.440 2.269 10 10 EECERN Cn1nc(C2CC2)nc1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001597742200 1349930988 /nfs/dbraw/zinc/93/09/88/1349930988.db2.gz HYKNILKNRKZSSF-UHFFFAOYSA-N 0 0 336.395 2.410 10 10 EECERN O=C(c1cc(=O)[nH]cn1)N(Cc1ccco1)Cc1ccccc1O ZINC001622309611 1352381474 /nfs/dbraw/zinc/38/14/74/1352381474.db2.gz MCXQWAUFGNIINB-UHFFFAOYSA-N 0 0 325.324 2.323 10 10 EECERN CN1CCN(Cc2ccc(C(=O)NCc3ccccc3O)s2)CC1 ZINC001622772734 1352389016 /nfs/dbraw/zinc/38/90/16/1352389016.db2.gz DWDHYEFMTZWCBI-UHFFFAOYSA-N 0 0 345.468 2.131 10 10 EECERN COC(=O)c1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001624953940 1352435786 /nfs/dbraw/zinc/43/57/86/1352435786.db2.gz CMFSRJVNLVKAAF-LLVKDONJSA-N 0 0 329.352 2.245 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCCCO1 ZINC001631531379 1352585373 /nfs/dbraw/zinc/58/53/73/1352585373.db2.gz PUWJYEMHTXELFU-AWEZNQCLSA-N 0 0 341.791 2.116 10 10 EECERN Cc1noc(-c2ccccc2C(=O)NCc2ccc(O)cc2O)n1 ZINC001638352535 1352687646 /nfs/dbraw/zinc/68/76/46/1352687646.db2.gz RXFNQXSBEUNVGY-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN Cn1ccc(-c2cc(C(=O)NCc3cc(Cl)ccc3O)no2)n1 ZINC001639968666 1352703132 /nfs/dbraw/zinc/70/31/32/1352703132.db2.gz KEGXEPJLLHVRQL-UHFFFAOYSA-N 0 0 332.747 2.364 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H](O)c1cccnc1 ZINC001641972326 1352727402 /nfs/dbraw/zinc/72/74/02/1352727402.db2.gz SGCBCPDXSFDLNS-QGZVFWFLSA-N 0 0 345.362 2.463 10 10 EECERN C[NH+](C)C1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC001646435681 1352841015 /nfs/dbraw/zinc/84/10/15/1352841015.db2.gz SOOAIJASGMKLTQ-UHFFFAOYSA-N 0 0 345.487 2.138 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC001648017941 1353413845 /nfs/dbraw/zinc/41/38/45/1353413845.db2.gz TYLDGUNWAAIQIX-VNYHSZRASA-N 0 0 348.399 2.283 10 10 EECERN COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(O)c1O ZINC001648388957 1353428341 /nfs/dbraw/zinc/42/83/41/1353428341.db2.gz GPOSXJSHJCFIQQ-AWEZNQCLSA-N 0 0 343.379 2.310 10 10 EECERN COc1ccc(O)c([C@H](C)Nc2nc(N)nc(C(F)(F)F)n2)c1 ZINC001651498138 1354054712 /nfs/dbraw/zinc/05/47/12/1354054712.db2.gz LCVPZXNYDQFGEN-LURJTMIESA-N 0 0 329.282 2.360 10 10 EECERN COC(=O)Cc1ccc(NCc2cc(O)ccc2O)c([N+](=O)[O-])c1 ZINC001652186354 1354080526 /nfs/dbraw/zinc/08/05/26/1354080526.db2.gz RMHNOMOOYGDZBZ-UHFFFAOYSA-N 0 0 332.312 2.334 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)c1cc(F)ccc1F ZINC001653742449 1354131727 /nfs/dbraw/zinc/13/17/27/1354131727.db2.gz YWYDOGKHBNLEKQ-XCVZWFEFSA-N 0 0 335.306 2.239 10 10 EECERN O=C(NCc1ccnc(-c2ccccn2)n1)c1c(F)ccc(O)c1O ZINC001654789789 1354157949 /nfs/dbraw/zinc/15/79/49/1354157949.db2.gz RARUGZBOTUOCAU-UHFFFAOYSA-N 0 0 340.314 2.019 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000781908610 769394001 /nfs/dbraw/zinc/39/40/01/769394001.db2.gz KMTJHBPCRHUFDU-GFCCVEGCSA-N 0 0 327.222 2.126 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000067859141 773730234 /nfs/dbraw/zinc/73/02/34/773730234.db2.gz BKYYEMWDRFOTKC-ZFWWWQNUSA-N 0 0 346.408 2.050 10 10 EECERN COCC(COC)N1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000840954417 783306257 /nfs/dbraw/zinc/30/62/57/783306257.db2.gz JJEJUKKBMAVPFK-UHFFFAOYSA-N 0 0 342.867 2.133 10 10 EECERN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000906510336 783956365 /nfs/dbraw/zinc/95/63/65/783956365.db2.gz AKIUSMBRKAYSMO-DOPJRALCSA-N 0 0 332.444 2.451 10 10 EECERN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(F)c3[O-])[C@H]2C1 ZINC000816638981 784161830 /nfs/dbraw/zinc/16/18/30/784161830.db2.gz CXMUVMZPZGOUTO-LSDHHAIUSA-N 0 0 328.815 2.480 10 10 EECERN CCC/C=C/[C@@H](O)C(=O)NCc1cccc(Br)c1O ZINC000907759500 784844146 /nfs/dbraw/zinc/84/41/46/784844146.db2.gz ZJLHLYNXDWHFMF-WNPFHQFXSA-N 0 0 328.206 2.488 10 10 EECERN CCN(CC)c1ccc(CNC(=O)Cc2nnc(C3CC3)[nH]2)cc1 ZINC001136300522 785781114 /nfs/dbraw/zinc/78/11/14/785781114.db2.gz UMKPIYYWWGVPND-UHFFFAOYSA-N 0 0 327.432 2.387 10 10 EECERN CC(=O)C(=O)COC(=O)C(F)(F)c1cccc(Br)c1 ZINC000910111114 786458564 /nfs/dbraw/zinc/45/85/64/786458564.db2.gz FYVOCTQABACNRG-UHFFFAOYSA-N 0 0 335.100 2.242 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C(F)(F)F ZINC000822613852 787287607 /nfs/dbraw/zinc/28/76/07/787287607.db2.gz NRBPEUGRBKLXAX-VXGBXAGGSA-N 0 0 346.324 2.477 10 10 EECERN COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000824213219 788087422 /nfs/dbraw/zinc/08/74/22/788087422.db2.gz LDKJXPKMNPZZBE-WCQYABFASA-N 0 0 341.791 2.020 10 10 EECERN COC[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000825467195 788644233 /nfs/dbraw/zinc/64/42/33/788644233.db2.gz NOTGJEUEFSYNQJ-IBGZPJMESA-N 0 0 332.444 2.346 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)CC[C@@H]3C)C2)cc1 ZINC000923185227 789072978 /nfs/dbraw/zinc/07/29/78/789072978.db2.gz DNTYVJZMPZYJJA-KBPBESRZSA-N 0 0 331.416 2.037 10 10 EECERN CCC[C@@H](C)[C@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000844933976 789470594 /nfs/dbraw/zinc/47/05/94/789470594.db2.gz KKMVSHKVVJLHLK-DOMZBBRYSA-N 0 0 325.428 2.488 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)c1cn(C)nn1 ZINC000845101552 789573700 /nfs/dbraw/zinc/57/37/00/789573700.db2.gz QWGZHPGSXTWAEM-UHFFFAOYSA-N 0 0 344.396 2.324 10 10 EECERN COC(=O)CCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001144745757 790091603 /nfs/dbraw/zinc/09/16/03/790091603.db2.gz LVOWAFSEGAXMIG-UHFFFAOYSA-N 0 0 329.352 2.385 10 10 EECERN C[C@H]1CC[C@@]2(CC[N@H+](Cc3cc(=O)n4ncc(C(=O)[O-])c4[nH]3)C2)C1 ZINC000846260365 790107724 /nfs/dbraw/zinc/10/77/24/790107724.db2.gz ZGGUGXRUZYVGNW-APPDUMDISA-N 0 0 330.388 2.145 10 10 EECERN CC(=O)NCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000186411331 792601599 /nfs/dbraw/zinc/60/15/99/792601599.db2.gz CGLXZQAKQLJCHX-SNVBAGLBSA-N 0 0 348.424 2.156 10 10 EECERN CC(C)(C)OC(=O)[C@@]1(C(=O)N2Cc3cccc(O)c3C2)CCCO1 ZINC000913726440 794183495 /nfs/dbraw/zinc/18/34/95/794183495.db2.gz PEBQKEJOGDHGFA-SFHVURJKSA-N 0 0 333.384 2.125 10 10 EECERN CO[C@@]1(C(F)(F)F)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000916146313 797527988 /nfs/dbraw/zinc/52/79/88/797527988.db2.gz UNWLNTPERKTOND-KQIUPUNMSA-N 0 0 331.290 2.291 10 10 EECERN Nc1ccc(Cc2nc(C(=O)OCCO[C@H]3CCOC3)cs2)cc1 ZINC000922602814 801492999 /nfs/dbraw/zinc/49/29/99/801492999.db2.gz NTGNKWLDWYEQCK-AWEZNQCLSA-N 0 0 348.424 2.278 10 10 EECERN COc1ccc(O)c(CNS(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC000786851768 806919654 /nfs/dbraw/zinc/91/96/54/806919654.db2.gz QRYMERRUYSSQKM-UHFFFAOYSA-N 0 0 341.360 2.027 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCCC[C@H]1O ZINC000103307511 803883366 /nfs/dbraw/zinc/88/33/66/803883366.db2.gz RVQKPTPYADNYSH-DLBZAZTESA-N 0 0 349.500 2.343 10 10 EECERN COCCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000787320148 807087452 /nfs/dbraw/zinc/08/74/52/807087452.db2.gz XPQVNTVNSOJLOL-RHSMWYFYSA-N 0 0 335.448 2.261 10 10 EECERN C[C@@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806279940 811813455 /nfs/dbraw/zinc/81/34/55/811813455.db2.gz FMPKMEKQQKWYDP-GFCCVEGCSA-N 0 0 341.502 2.390 10 10 EECERN COc1ncc(/C=C/C(=O)N2CCOc3c(F)ccc(F)c32)cn1 ZINC001130765979 812010721 /nfs/dbraw/zinc/01/07/21/812010721.db2.gz ONZNWILRGNVTCJ-GORDUTHDSA-N 0 0 333.294 2.202 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1 ZINC000808515448 812686138 /nfs/dbraw/zinc/68/61/38/812686138.db2.gz HMBICIJVDJJVFJ-UHFFFAOYSA-N 0 0 339.319 2.488 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000808515971 812687069 /nfs/dbraw/zinc/68/70/69/812687069.db2.gz SVXXBFDQPCRSLZ-UHFFFAOYSA-N 0 0 341.150 2.494 10 10 EECERN C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(Br)cc1O ZINC000826096994 1200883362 /nfs/dbraw/zinc/88/33/62/1200883362.db2.gz LCQDOYNXNRBRMV-MFKMUULPSA-N 0 0 330.222 2.126 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC001445898971 1091826410 /nfs/dbraw/zinc/82/64/10/1091826410.db2.gz CWRHWSGDSWMYAT-UHFFFAOYSA-N 0 0 328.299 2.217 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cnn(-c2ccc(F)cc2)c1 ZINC001445904315 1091829905 /nfs/dbraw/zinc/82/99/05/1091829905.db2.gz WVPUNILSHCODOA-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN Cc1ccc(C(=O)NCc2ccc(-c3nnco3)cc2)c(O)c1O ZINC001448959869 1093968284 /nfs/dbraw/zinc/96/82/84/1093968284.db2.gz GVOUBEVOUFTWCD-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN Cc1nn(CCC(=O)N[C@@H](C)c2ccccc2O)c(C)c1[N+](=O)[O-] ZINC001454820878 1107717532 /nfs/dbraw/zinc/71/75/32/1107717532.db2.gz UCXUUJUCVFZCCH-JTQLQIEISA-N 0 0 332.360 2.381 10 10 EECERN COc1ncc(/C=C\C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cn1 ZINC001460265192 1110261304 /nfs/dbraw/zinc/26/13/04/1110261304.db2.gz RFWHHWWZBZYTCC-DJWKRKHSSA-N 0 0 344.302 2.135 10 10 EECERN CCN1CC[C@@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001464311884 1110391549 /nfs/dbraw/zinc/39/15/49/1110391549.db2.gz WMYMVBIOTVIBJR-HBUWYVDXSA-N 0 0 349.450 2.150 10 10 EECERN CN(CCCNC(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC001464314880 1110391554 /nfs/dbraw/zinc/39/15/54/1110391554.db2.gz JQTKRKQPMDJHRG-UHFFFAOYSA-N 0 0 338.404 2.014 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC001464310782 1110391582 /nfs/dbraw/zinc/39/15/82/1110391582.db2.gz YJSIDLANCBYJKI-CQSZACIVSA-N 0 0 343.402 2.477 10 10 EECERN CCC1CCC(NC(=O)Cc2ccc(O)c(O)c2)(C(=O)OC)CC1 ZINC001465660487 1110421530 /nfs/dbraw/zinc/42/15/30/1110421530.db2.gz DDTVIXYWIRBXCT-UHFFFAOYSA-N 0 0 335.400 2.269 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)c1ccc(F)cc1F ZINC001470400120 1110505769 /nfs/dbraw/zinc/50/57/69/1110505769.db2.gz CYBWYZIRULLOIU-OLVMAOTFSA-N 0 0 335.306 2.239 10 10 EECERN NC(=O)c1ccc(OCCC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001472316880 1110551634 /nfs/dbraw/zinc/55/16/34/1110551634.db2.gz KXWXOGSNQMPMRU-UHFFFAOYSA-N 0 0 348.786 2.230 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001508929633 1115684917 /nfs/dbraw/zinc/68/49/17/1115684917.db2.gz USOMSBKBNWDDKW-JTNHKYCSSA-N 0 0 345.403 2.082 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@@H](CCCO)c1ccccc1 ZINC001519816285 1119108062 /nfs/dbraw/zinc/10/80/62/1119108062.db2.gz CGRRALCDXAXZKS-INIZCTEOSA-N 0 0 329.396 2.313 10 10 EECERN COc1cccc(CCC(=O)NCc2cccc(O)c2O)c1OC ZINC001528771402 1121163051 /nfs/dbraw/zinc/16/30/51/1121163051.db2.gz OQCFECVIRLHHND-UHFFFAOYSA-N 0 0 331.368 2.364 10 10 EECERN CCN(CCNC(=O)[C@H]1C[C@@H]1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001529017638 1121278447 /nfs/dbraw/zinc/27/84/47/1121278447.db2.gz AIKPEBYPQCZEMF-FZMZJTMJSA-N 0 0 345.403 2.083 10 10 EECERN Cc1nnc(N2CCO[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001542227265 1124111945 /nfs/dbraw/zinc/11/19/45/1124111945.db2.gz XFESZTIJMNRCSI-CQSZACIVSA-N 0 0 329.448 2.234 10 10 EECERN Cc1ccc(F)c(N)c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001543817621 1124135603 /nfs/dbraw/zinc/13/56/03/1124135603.db2.gz NTTSSMFHDUILSQ-UHFFFAOYSA-N 0 0 343.402 2.483 10 10 EECERN C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000055510912 132195341 /nfs/dbraw/zinc/19/53/41/132195341.db2.gz RBXPZQLMDYXCEE-ZBFHGGJFSA-N 0 0 349.450 2.324 10 10 EECERN C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000284310330 464145921 /nfs/dbraw/zinc/14/59/21/464145921.db2.gz LGWGUJGQUVDRQW-ZIBATOQPSA-N 0 0 326.393 2.109 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCCCNC(=O)OC(C)(C)C ZINC000264151848 464287797 /nfs/dbraw/zinc/28/77/97/464287797.db2.gz ZJXBXHRJPRWTMM-UHFFFAOYSA-N 0 0 337.420 2.448 10 10 EECERN COC(C)(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000264545089 464367211 /nfs/dbraw/zinc/36/72/11/464367211.db2.gz RZVGOQPLAGWXSK-CHWSQXEVSA-N 0 0 338.423 2.481 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)cc1 ZINC000190013014 464586740 /nfs/dbraw/zinc/58/67/40/464586740.db2.gz DVRLFBVYKCUZCD-CJNGLKHVSA-N 0 0 326.462 2.130 10 10 EECERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)no1 ZINC000182369074 464636598 /nfs/dbraw/zinc/63/65/98/464636598.db2.gz ADRFQCRMSDCICD-GFCCVEGCSA-N 0 0 331.372 2.193 10 10 EECERN C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273410948 464714981 /nfs/dbraw/zinc/71/49/81/464714981.db2.gz PNQHZPUHHVFBJD-CHWSQXEVSA-N 0 0 343.387 2.410 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000528825051 467764269 /nfs/dbraw/zinc/76/42/69/467764269.db2.gz KXLJNBHTZHMNOJ-CQSZACIVSA-N 0 0 344.415 2.073 10 10 EECERN CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000732835025 577194381 /nfs/dbraw/zinc/19/43/81/577194381.db2.gz GBPUFDARYSOYDG-CYBMUJFWSA-N 0 0 334.372 2.470 10 10 EECERN CC(=O)N1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000773623684 577355143 /nfs/dbraw/zinc/35/51/43/577355143.db2.gz LIMRKVIIXLFRNE-ZIAGYGMSSA-N 0 0 332.448 2.076 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3CCOCC[C@@H]3C)CC2)cc1 ZINC000775428848 577437098 /nfs/dbraw/zinc/43/70/98/577437098.db2.gz GDPWOVZOOHTRLM-HNNXBMFYSA-N 0 0 347.459 2.484 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000777667472 577484559 /nfs/dbraw/zinc/48/45/59/577484559.db2.gz IEZNZZWEEWNLNA-UHFFFAOYSA-N 0 0 337.383 2.035 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1cccc2ncnn21 ZINC000765732802 577506243 /nfs/dbraw/zinc/50/62/43/577506243.db2.gz STNQWJGMNQFCMG-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN Cc1cc(CCNC(=O)C(=O)NCC(F)F)c(C)n1-c1ccccc1 ZINC000767492673 577538066 /nfs/dbraw/zinc/53/80/66/577538066.db2.gz VTOOFOPCHSJGHW-UHFFFAOYSA-N 0 0 349.381 2.134 10 10 EECERN COCCO[N-]C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000768002947 577548940 /nfs/dbraw/zinc/54/89/40/577548940.db2.gz ZCNBQBQQZMFQCH-UHFFFAOYSA-N 0 0 345.443 2.102 10 10 EECERN Oc1cc2c(cc1CN1CCO[C@H](c3ccsc3)C1)[C@@H](O)CO2 ZINC000768462746 577556265 /nfs/dbraw/zinc/55/62/65/577556265.db2.gz CWIMHYKAWQCNMJ-RDJZCZTQSA-N 0 0 333.409 2.453 10 10 EECERN COc1ccc(O)c(CNC(=O)CN(C)c2ccc(Cl)cn2)c1 ZINC000769539222 577580179 /nfs/dbraw/zinc/58/01/79/577580179.db2.gz DXGXYTPAOLFQRJ-UHFFFAOYSA-N 0 0 335.791 2.202 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@H](CO)c2ccsc2)cc1F ZINC000771309245 577613345 /nfs/dbraw/zinc/61/33/45/577613345.db2.gz FXJIRZLNURBOQD-CQSZACIVSA-N 0 0 337.420 2.486 10 10 EECERN Cn1c(COC(=O)/C=C\c2ccc(O)c(O)c2)nnc1C1CCC1 ZINC000759597874 577646264 /nfs/dbraw/zinc/64/62/64/577646264.db2.gz TZSZMFIIUINZBL-VURMDHGXSA-N 0 0 329.356 2.250 10 10 EECERN CCOC(=O)[C@H](Cc1ccccn1)NCc1ccc(N(C)C)cc1 ZINC000763481669 577721791 /nfs/dbraw/zinc/72/17/91/577721791.db2.gz TWNNGFNDDOTYMP-SFHVURJKSA-N 0 0 327.428 2.412 10 10 EECERN Cn1cccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1=O ZINC000751302689 577750456 /nfs/dbraw/zinc/75/04/56/577750456.db2.gz PQYBHVFARJSQTC-UHFFFAOYSA-N 0 0 345.362 2.347 10 10 EECERN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1O ZINC000751530873 577754928 /nfs/dbraw/zinc/75/49/28/577754928.db2.gz VILLQCSXOTXUBW-UHFFFAOYSA-N 0 0 328.368 2.495 10 10 EECERN CCN(Cc1csc(CC(=O)NC)n1)c1ccc(OC)c(OC)c1 ZINC000749152757 577971793 /nfs/dbraw/zinc/97/17/93/577971793.db2.gz FUILDVHPGBWQGI-UHFFFAOYSA-N 0 0 349.456 2.475 10 10 EECERN Cc1cc(C)n(CC(=O)NCc2cc(Br)ccc2O)n1 ZINC000804735406 675609804 /nfs/dbraw/zinc/60/98/04/675609804.db2.gz XNZASMYSYMGOJS-UHFFFAOYSA-N 0 0 338.205 2.284 10 10 EECERN COC(=O)CC1CC(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000924923282 681575267 /nfs/dbraw/zinc/57/52/67/681575267.db2.gz UFVNXLSACSMCNN-UNXYVOJBSA-N 0 0 336.388 2.103 10 10 EECERN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895083949 683795427 /nfs/dbraw/zinc/79/54/27/683795427.db2.gz NJCXUPKEFWVQFJ-CYBMUJFWSA-N 0 0 338.276 2.171 10 10 EECERN CN(CC1(CO)CC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000186970761 684563764 /nfs/dbraw/zinc/56/37/64/684563764.db2.gz DCSJVBKDLCVASU-UHFFFAOYSA-N 0 0 349.500 2.154 10 10 EECERN Cc1cc(C)n(C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C(=O)[O-])n1 ZINC000904006088 694266589 /nfs/dbraw/zinc/26/65/89/694266589.db2.gz SMSGTZNCYLFJCI-QWNKOJSDSA-N 0 0 342.443 2.322 10 10 EECERN CC(=O)N1CCC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897621017 691702692 /nfs/dbraw/zinc/70/26/92/691702692.db2.gz PIKIOKBNCWMCKH-NSHDSACASA-N 0 0 348.424 2.301 10 10 EECERN COC(=O)[C@H](CC1CC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897969534 691826615 /nfs/dbraw/zinc/82/66/15/691826615.db2.gz CNHLDSIBWGGHFA-JTQLQIEISA-N 0 0 335.381 2.384 10 10 EECERN CCCN1C[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000897994500 691835750 /nfs/dbraw/zinc/83/57/50/691835750.db2.gz YGHCOUPFWPGJAM-SNVBAGLBSA-N 0 0 348.424 2.301 10 10 EECERN Nc1c(C(=O)OCc2ccno2)ccc2c1C(=O)c1ccccc1C2=O ZINC000898032413 691857062 /nfs/dbraw/zinc/85/70/62/691857062.db2.gz PYPKXPJFFXGOSP-UHFFFAOYSA-N 0 0 348.314 2.389 10 10 EECERN O=C(c1ccccn1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000192768176 692985846 /nfs/dbraw/zinc/98/58/46/692985846.db2.gz GMJUVUQXDJLIGT-UHFFFAOYSA-N 0 0 337.423 2.234 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000905457010 1189735446 /nfs/dbraw/zinc/73/54/46/1189735446.db2.gz QWVSQXXFAADPBP-MOPGFXCFSA-N 0 0 344.455 2.297 10 10 EECERN C/C=C(\C)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486905977 1197068323 /nfs/dbraw/zinc/06/83/23/1197068323.db2.gz TUGOVSPQJJMGRB-LAPUGDAXSA-N 0 0 345.403 2.392 10 10 EECERN COC(=O)c1cc(OCc2nnc3n2CCCCC3)ccc1N(C)C ZINC000871793269 1197906548 /nfs/dbraw/zinc/90/65/48/1197906548.db2.gz JCEDNXCCWXDZTN-UHFFFAOYSA-N 0 0 344.415 2.436 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cc(N3CCCCC3)ncn2)c1 ZINC000863937043 1197928868 /nfs/dbraw/zinc/92/88/68/1197928868.db2.gz IOWNVDUVWRFMHO-UHFFFAOYSA-N 0 0 326.400 2.411 10 10 EECERN CN1CCCc2cc(CNC(=O)c3cccn(C4CC4)c3=O)ccc21 ZINC000865054006 1198065279 /nfs/dbraw/zinc/06/52/79/1198065279.db2.gz MWQXJGACBGWUOB-UHFFFAOYSA-N 0 0 337.423 2.496 10 10 EECERN C[C@H](NCc1cn(C[C@H]2CCOC2)nn1)c1ccc(N(C)C)cc1 ZINC000865532268 1198262520 /nfs/dbraw/zinc/26/25/20/1198262520.db2.gz WSKGHVHNORVJRN-LSDHHAIUSA-N 0 0 329.448 2.231 10 10 EECERN CN(Cc1ccccc1S(N)(=O)=O)Cc1cc2c(cc1O)CCC2 ZINC000814231840 1199375363 /nfs/dbraw/zinc/37/53/63/1199375363.db2.gz GDHURNBPKHEWPI-UHFFFAOYSA-N 0 0 346.452 2.160 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1CC2(CSC2)C1 ZINC000869295453 1199995548 /nfs/dbraw/zinc/99/55/48/1199995548.db2.gz VYEBALUTIUWPSZ-UHFFFAOYSA-N 0 0 346.496 2.407 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@]12CCC[C@H]1OCC2 ZINC000869295094 1199995607 /nfs/dbraw/zinc/99/56/07/1199995607.db2.gz JZSGOBHETMDMKS-QUCCMNQESA-N 0 0 344.455 2.223 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000811951531 1200422868 /nfs/dbraw/zinc/42/28/68/1200422868.db2.gz JEFCQMFDTGDBDE-CQSZACIVSA-N 0 0 327.432 2.141 10 10 EECERN CC(C)(F)CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000868838099 1201890237 /nfs/dbraw/zinc/89/02/37/1201890237.db2.gz UFBPFBJIOVGBNH-UHFFFAOYSA-N 0 0 341.402 2.334 10 10 EECERN C[C@H](NC(=O)NCCOCC(=O)OC(C)(C)C)c1ccccc1O ZINC000868889853 1201899490 /nfs/dbraw/zinc/89/94/90/1201899490.db2.gz UQSVZUGYHLBAIN-LBPRGKRZSA-N 0 0 338.404 2.111 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000869147816 1201950872 /nfs/dbraw/zinc/95/08/72/1201950872.db2.gz YBRIMPNOEQASKY-MNOVXSKESA-N 0 0 339.697 2.008 10 10 EECERN CCC(CC)[C@@H](C(=O)NCc1c(O)cccc1F)N1CCOCC1 ZINC000928706093 1206413492 /nfs/dbraw/zinc/41/34/92/1206413492.db2.gz QBIKFWUKCVHWMY-KRWDZBQOSA-N 0 0 338.423 2.285 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)[C@]3(C)C=CCC3)CC2)cc1 ZINC000930941135 1206594512 /nfs/dbraw/zinc/59/45/12/1206594512.db2.gz KWSXISYFECOEFR-HXUWFJFHSA-N 0 0 343.471 2.290 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCN1CCOC1=O ZINC000077526392 1209840540 /nfs/dbraw/zinc/84/05/40/1209840540.db2.gz UFNIICYAQNPPMB-UHFFFAOYSA-N 0 0 348.447 2.126 10 10 EECERN CC(C)C[C@H](NCC(F)(F)F)C(=O)NCc1ccc(O)c(O)c1 ZINC000901131370 1235261908 /nfs/dbraw/zinc/26/19/08/1235261908.db2.gz JJHWAWUHKKVVBY-NSHDSACASA-N 0 0 334.338 2.281 10 10 EECERN COCc1c(C)cc(C)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C ZINC000901417351 1235754169 /nfs/dbraw/zinc/75/41/69/1235754169.db2.gz NPKBMXGMZKZTJY-UHFFFAOYSA-N 0 0 330.384 2.192 10 10 EECERN [O-]c1ccc(Cl)c(F)c1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969268 1242789345 /nfs/dbraw/zinc/78/93/45/1242789345.db2.gz DXSOIDSLRUUAQY-LLVKDONJSA-N 0 0 328.815 2.433 10 10 EECERN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cccnc2C)C1 ZINC000827537896 1248413666 /nfs/dbraw/zinc/41/36/66/1248413666.db2.gz PQJMLHWOSMVGML-HJCTWCACSA-N 0 0 335.407 2.497 10 10 EECERN C[C@]12COC[C@H]1CN(C(=O)c1csc(Cc3ccc(N)cc3)n1)C2 ZINC000851645584 1277699545 /nfs/dbraw/zinc/69/95/45/1277699545.db2.gz KTQQEUUBXYYBGA-ACJLOTCBSA-N 0 0 343.452 2.425 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(C)nc3)C2)cc1 ZINC000851962447 1291933819 /nfs/dbraw/zinc/93/38/19/1291933819.db2.gz VYFNVFUZSVBWFG-MRXNPFEDSA-N 0 0 340.427 2.477 10 10 EECERN CC[C@@]1(C)CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852451248 1292117961 /nfs/dbraw/zinc/11/79/61/1292117961.db2.gz GLLWDBQVSLPKAM-BEFAXECRSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCc3cscn3)C2)cc1 ZINC000852454537 1292118432 /nfs/dbraw/zinc/11/84/32/1292118432.db2.gz PKYSLVXFNFIHLA-CYBMUJFWSA-N 0 0 346.456 2.272 10 10 EECERN CN1CCCc2cc(CNC(=O)NCCO[C@@H]3CC3(F)F)ccc21 ZINC000852529013 1292127466 /nfs/dbraw/zinc/12/74/66/1292127466.db2.gz CMRUSDCQPSBXFT-OAHLLOKOSA-N 0 0 339.386 2.292 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCC(O)(C1CC1)C1CC1 ZINC000853748397 1292444351 /nfs/dbraw/zinc/44/43/51/1292444351.db2.gz DEMUMVYVEVDSGR-UHFFFAOYSA-N 0 0 331.460 2.411 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC4(C3)CCOCC4)C2)cc1 ZINC000854296603 1292708395 /nfs/dbraw/zinc/70/83/95/1292708395.db2.gz FCGHMCKPLQVGBG-OAHLLOKOSA-N 0 0 345.443 2.096 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@@H]3C3CC3)C2)cc1 ZINC000854298529 1292710312 /nfs/dbraw/zinc/71/03/12/1292710312.db2.gz DVBBXQYHAJYBSB-MAUKXSAKSA-N 0 0 345.443 2.094 10 10 EECERN Cc1cc(CC(=O)N[C@@H]2C(=O)NCC[C@H]2C)c(C)n1-c1ccccc1 ZINC000854337418 1292734422 /nfs/dbraw/zinc/73/44/22/1292734422.db2.gz YODFNRLJDCCCGO-YJYMSZOUSA-N 0 0 339.439 2.277 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@]23C[C@H]2COC3(C)C)cc1 ZINC000855020672 1293035200 /nfs/dbraw/zinc/03/52/00/1293035200.db2.gz UWTLOVYCYBDBIR-LIRRHRJNSA-N 0 0 332.444 2.405 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)n3ccnc3)C2)cc1 ZINC000855223347 1293116908 /nfs/dbraw/zinc/11/69/08/1293116908.db2.gz GQCAIMBAULLGMD-LSDHHAIUSA-N 0 0 328.416 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(Cl)n(C)n3)C2)cc1 ZINC000855225196 1293117689 /nfs/dbraw/zinc/11/76/89/1293117689.db2.gz OZDKVGHAMXKSGT-LLVKDONJSA-N 0 0 334.807 2.091 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@]34C[C@@H]3COC4(C)C)C2)cc1 ZINC000855225646 1293117900 /nfs/dbraw/zinc/11/79/00/1293117900.db2.gz PMXAIWNWKNJQTH-BIENJYKASA-N 0 0 330.428 2.205 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C(C)C)c3)C2)cc1 ZINC000855227952 1293119862 /nfs/dbraw/zinc/11/98/62/1293119862.db2.gz SEKOYQBAEADARX-OAHLLOKOSA-N 0 0 328.416 2.481 10 10 EECERN COCc1nc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000855229100 1293121076 /nfs/dbraw/zinc/12/10/76/1293121076.db2.gz HODKRWFGGZQXAW-GFCCVEGCSA-N 0 0 347.440 2.307 10 10 EECERN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 ZINC000855871458 1293349925 /nfs/dbraw/zinc/34/99/25/1293349925.db2.gz YMPXSVQRFVJOPX-KXVKIKSLSA-N 0 0 341.411 2.372 10 10 EECERN COc1ccc(O)c(CNC(=O)C(=O)c2ccc3c(c2)CCC3)c1 ZINC000114544002 1293601506 /nfs/dbraw/zinc/60/15/06/1293601506.db2.gz BNUZOQRMAGCEHM-UHFFFAOYSA-N 0 0 325.364 2.389 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)C2)cc1 ZINC000858598317 1294163724 /nfs/dbraw/zinc/16/37/24/1294163724.db2.gz CTKWIFGGNFWSFR-DTFBLWLJSA-N 0 0 347.459 2.385 10 10 EECERN CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000862525361 1295867103 /nfs/dbraw/zinc/86/71/03/1295867103.db2.gz ADAHJXUPQQKQBA-KGLIPLIRSA-N 0 0 326.437 2.043 10 10 EECERN COc1ccc(Cl)c(NC(=S)NNc2nnc(C)n2C)c1 ZINC000863206584 1296149954 /nfs/dbraw/zinc/14/99/54/1296149954.db2.gz URISOORPLVHROV-UHFFFAOYSA-N 0 0 326.813 2.099 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCC[C@@H](N(C)C)C(F)(F)F)c1 ZINC000926821442 1296932911 /nfs/dbraw/zinc/93/29/11/1296932911.db2.gz MMOFUIIRXQXHJF-CYBMUJFWSA-N 0 0 333.354 2.382 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2nc[nH]c(=O)c21 ZINC001138152640 1314557490 /nfs/dbraw/zinc/55/74/90/1314557490.db2.gz MALZZLMYQPLUNR-JTQLQIEISA-N 0 0 339.351 2.108 10 10 EECERN O=C(COc1ccsn1)NCc1cccc(Br)c1O ZINC001139975172 1314791874 /nfs/dbraw/zinc/79/18/74/1314791874.db2.gz WILGMJHDRVIIFW-UHFFFAOYSA-N 0 0 343.202 2.306 10 10 EECERN COc1ccc(N2CCN(CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)cc1 ZINC000839949808 1315262526 /nfs/dbraw/zinc/26/25/26/1315262526.db2.gz QNTATVVGUJHUSG-YJBOKZPZSA-N 0 0 329.444 2.033 10 10 EECERN COCCn1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001143025229 1315830833 /nfs/dbraw/zinc/83/08/33/1315830833.db2.gz BKFSEYJQIHSKRP-UHFFFAOYSA-N 0 0 333.369 2.408 10 10 EECERN C[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccccc1O ZINC001151885762 1316602783 /nfs/dbraw/zinc/60/27/83/1316602783.db2.gz GHEOYTNDCXCAHH-GFCCVEGCSA-N 0 0 325.368 2.413 10 10 EECERN Nc1cc(Br)cc(C(=O)N2Cc3cccc(O)c3C2)c1N ZINC001152574610 1316692168 /nfs/dbraw/zinc/69/21/68/1316692168.db2.gz ZQNHXCUAEQTELC-UHFFFAOYSA-N 0 0 348.200 2.475 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1cccnc1N ZINC001251990087 1317535485 /nfs/dbraw/zinc/53/54/85/1317535485.db2.gz RQEBCQWLQWYPDX-AWEZNQCLSA-N 0 0 341.459 2.469 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]2C)cc1F ZINC001257235067 1318968897 /nfs/dbraw/zinc/96/88/97/1318968897.db2.gz YBIXDQVSLIOUAD-GXTWGEPZSA-N 0 0 335.423 2.060 10 10 EECERN O=C(Cc1c[nH]c2cnc(Cl)cc12)NCc1ccc(O)cc1O ZINC001162284954 1320807004 /nfs/dbraw/zinc/80/70/04/1320807004.db2.gz IQVXXOICTQCDFY-UHFFFAOYSA-N 0 0 331.759 2.486 10 10 EECERN COC(=O)/C=C/[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001263985049 1322577556 /nfs/dbraw/zinc/57/75/56/1322577556.db2.gz IEEJTECDLCXDIY-IDVQTMNDSA-N 0 0 327.384 2.337 10 10 EECERN CC[C@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285835403 1327173708 /nfs/dbraw/zinc/17/37/08/1327173708.db2.gz WVXOJJYXPOJLKB-FZMZJTMJSA-N 0 0 345.403 2.226 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001291596148 1328309414 /nfs/dbraw/zinc/30/94/14/1328309414.db2.gz AGWIYGWUAJJJSD-SECBINFHSA-N 0 0 327.340 2.100 10 10 EECERN CCOC(=O)[C@@](C)(NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001303777961 1331365583 /nfs/dbraw/zinc/36/55/83/1331365583.db2.gz ITMIYUHIRKCLCV-SFHVURJKSA-N 0 0 329.352 2.306 10 10 EECERN Cc1nn(C2CCOCC2)c(C)c1C(=O)NCc1c(O)cccc1O ZINC001304054425 1331375594 /nfs/dbraw/zinc/37/55/94/1331375594.db2.gz NQFRHEQXQGDWMW-UHFFFAOYSA-N 0 0 345.399 2.193 10 10 EECERN CN(C)c1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000901961480 1331530452 /nfs/dbraw/zinc/53/04/52/1331530452.db2.gz WKZCQXGWYWPKME-FZMZJTMJSA-N 0 0 346.349 2.351 10 10 EECERN COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC001329637158 1334688795 /nfs/dbraw/zinc/68/87/95/1334688795.db2.gz OVYYLAHCHZWKNE-INIZCTEOSA-N 0 0 341.429 2.274 10 10 EECERN Cn1cccc1[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 ZINC001334784231 1336296847 /nfs/dbraw/zinc/29/68/47/1336296847.db2.gz LPGJLDPOPCHUPW-HXUWFJFHSA-N 0 0 341.455 2.435 10 10 EECERN COc1ccc(N2CC[C@@H](CN3C(=O)N[C@](C)(CCF)C3=O)C2)cc1 ZINC000849358404 1339154302 /nfs/dbraw/zinc/15/43/02/1339154302.db2.gz YWMHXHBMZPPTKU-FZKQIMNGSA-N 0 0 349.406 2.192 10 10 EECERN CCc1[nH]c(=O)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC001611430258 1352300324 /nfs/dbraw/zinc/30/03/24/1352300324.db2.gz AEHQPDSPGQCLSQ-LLVKDONJSA-N 0 0 330.384 2.430 10 10 EECERN COCCOCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001620078025 1352357178 /nfs/dbraw/zinc/35/71/78/1352357178.db2.gz LVFAAWUIABUXBP-UHFFFAOYSA-N 0 0 346.431 2.161 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc2n[nH]nc21 ZINC001542170079 1342327952 /nfs/dbraw/zinc/32/79/52/1342327952.db2.gz LMSFTFMRHLWSHM-UHFFFAOYSA-N 0 0 338.415 2.470 10 10 EECERN Cc1ccc(C(=O)NCc2c(O)cccc2O)c(Br)n1 ZINC001558534720 1342480256 /nfs/dbraw/zinc/48/02/56/1342480256.db2.gz XITNCKXFWIYMEB-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN O=C(Cc1csc(-c2ccccn2)n1)NCc1cc(O)ccc1O ZINC001593869945 1349873155 /nfs/dbraw/zinc/87/31/55/1349873155.db2.gz ZDQIHPPTCHKBMK-UHFFFAOYSA-N 0 0 341.392 2.475 10 10 EECERN CS(=O)(=O)c1cccc(Cl)c1C(=O)NCc1ccccc1O ZINC001595792351 1349895838 /nfs/dbraw/zinc/89/58/38/1349895838.db2.gz GVASHRMLRJLJHL-UHFFFAOYSA-N 0 0 339.800 2.379 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@H](O)c1ccccc1C(F)(F)F ZINC001622664170 1352387162 /nfs/dbraw/zinc/38/71/62/1352387162.db2.gz KDSKFRZCGWVASP-CQSZACIVSA-N 0 0 341.285 2.466 10 10 EECERN O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)C1=CC(=O)CS1 ZINC001627177600 1352486665 /nfs/dbraw/zinc/48/66/65/1352486665.db2.gz OBFSMDAGJWYVDR-AWEZNQCLSA-N 0 0 342.380 2.287 10 10 EECERN CCn1ncc(Br)c1C(=O)NCc1cccc(O)c1O ZINC001644711189 1352767603 /nfs/dbraw/zinc/76/76/03/1352767603.db2.gz WFQMCCWKVXLLEK-UHFFFAOYSA-N 0 0 340.177 2.007 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCCN1Cc1ccncc1 ZINC001644753485 1352768175 /nfs/dbraw/zinc/76/81/75/1352768175.db2.gz AKGQEKCTRKYZOF-KRWDZBQOSA-N 0 0 341.411 2.164 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCCCn2ccnn2)cc1 ZINC000182290675 778660143 /nfs/dbraw/zinc/66/01/43/778660143.db2.gz MTBHLLHHDXVZHA-UHFFFAOYSA-N 0 0 330.436 2.014 10 10 EECERN O=C(CCc1cncnc1)NCc1cc(Br)ccc1O ZINC000816653603 784170121 /nfs/dbraw/zinc/17/01/21/784170121.db2.gz AJEXGYWVZQFXQR-UHFFFAOYSA-N 0 0 336.189 2.194 10 10 EECERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000907060934 784358729 /nfs/dbraw/zinc/35/87/29/784358729.db2.gz RODOSARQGVMBQO-LSDHHAIUSA-N 0 0 331.412 2.477 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001135800644 784465849 /nfs/dbraw/zinc/46/58/49/784465849.db2.gz KHNHQKACWQLRMO-MRXNPFEDSA-N 0 0 346.475 2.328 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2c(cn1)OCCO2 ZINC000819101252 785402790 /nfs/dbraw/zinc/40/27/90/785402790.db2.gz PZMYVPDVNHVZTR-UHFFFAOYSA-N 0 0 339.395 2.383 10 10 EECERN CN(C)c1ccc(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1F ZINC001136453999 786785453 /nfs/dbraw/zinc/78/54/53/786785453.db2.gz GDUWUAQYBBWISN-UHFFFAOYSA-N 0 0 341.730 2.106 10 10 EECERN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910954894 787133480 /nfs/dbraw/zinc/13/34/80/787133480.db2.gz AAGIFWUTMYDAFM-INIZCTEOSA-N 0 0 341.363 2.447 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cnn(C3CC3)c2N)cc1 ZINC000911891381 787798837 /nfs/dbraw/zinc/79/88/37/787798837.db2.gz FLBLFZIXGYRICL-UHFFFAOYSA-N 0 0 343.431 2.017 10 10 EECERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000824777693 788298360 /nfs/dbraw/zinc/29/83/60/788298360.db2.gz NVCORWKKYAPEPQ-YRXWBPOGSA-N 0 0 344.455 2.153 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cn2c(n1)CCC2 ZINC000843887004 788715196 /nfs/dbraw/zinc/71/51/96/788715196.db2.gz RSIKDQFMCYVUAY-UHFFFAOYSA-N 0 0 336.189 2.227 10 10 EECERN CC(C)(C)c1noc(CCC(=O)NCCc2ccc(O)c(O)c2)n1 ZINC000156703972 789205408 /nfs/dbraw/zinc/20/54/08/789205408.db2.gz AQNNITRZIZMAMU-UHFFFAOYSA-N 0 0 333.388 2.070 10 10 EECERN COc1ccc(N(C)CCN(C)CN2C[C@H]3CCC[C@@H]3C2=O)cc1 ZINC000844725509 789329279 /nfs/dbraw/zinc/32/92/79/789329279.db2.gz LCJAJMSGLGMELV-QAPCUYQASA-N 0 0 331.460 2.279 10 10 EECERN COC(=O)CC1CC(NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000915367274 795943526 /nfs/dbraw/zinc/94/35/26/795943526.db2.gz YRPPDJAKFYWQAN-UHFFFAOYSA-N 0 0 337.395 2.033 10 10 EECERN COCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCOCC1 ZINC001175414773 798098656 /nfs/dbraw/zinc/09/86/56/798098656.db2.gz BWBAXVQOPJEZSU-UHFFFAOYSA-N 0 0 334.376 2.117 10 10 EECERN COc1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000154337533 798150111 /nfs/dbraw/zinc/15/01/11/798150111.db2.gz OMIZLQLNYJPMLJ-UHFFFAOYSA-N 0 0 338.411 2.466 10 10 EECERN O=C(NCCCSc1nccs1)N1C[C@H](O)CC(F)(F)C1 ZINC000786788659 806891532 /nfs/dbraw/zinc/89/15/32/806891532.db2.gz IAOXMBNWBBTPHW-SECBINFHSA-N 0 0 337.417 2.037 10 10 EECERN Cc1cc(Br)c(O)c(CN2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000787416290 807107562 /nfs/dbraw/zinc/10/75/62/807107562.db2.gz AQUFLWTVGVDQQY-CMPLNLGQSA-N 0 0 330.222 2.045 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CN(CC(F)F)C1 ZINC000791340914 809186746 /nfs/dbraw/zinc/18/67/46/809186746.db2.gz SBRGKQGFOMKVOT-UHFFFAOYSA-N 0 0 325.403 2.298 10 10 EECERN CC[C@@H]1CC[N@@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000793822417 810550131 /nfs/dbraw/zinc/55/01/31/810550131.db2.gz XLHTVJJYFNSXFC-GOSISDBHSA-N 0 0 332.444 2.411 10 10 EECERN COc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794376020 810803173 /nfs/dbraw/zinc/80/31/73/810803173.db2.gz ARYCHHXWGMTAAM-LBPRGKRZSA-N 0 0 331.368 2.493 10 10 EECERN COc1ccc2nc(C3CC3)cc(C(=O)OCC(=O)C(C)=O)c2c1 ZINC000808530187 812695930 /nfs/dbraw/zinc/69/59/30/812695930.db2.gz PJTQWDBAXOOPEM-UHFFFAOYSA-N 0 0 327.336 2.436 10 10 EECERN COc1cccc(CNC(=O)CCN2CSCCSC2)c1O ZINC001445971247 1091926605 /nfs/dbraw/zinc/92/66/05/1091926605.db2.gz VAJOMZOGBYYLLA-UHFFFAOYSA-N 0 0 342.486 2.104 10 10 EECERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001441550039 1095276425 /nfs/dbraw/zinc/27/64/25/1095276425.db2.gz INOQDHWOJATYIS-UHFFFAOYSA-N 0 0 328.368 2.289 10 10 EECERN C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C(=O)OC(C)(C)C ZINC001452244262 1098344555 /nfs/dbraw/zinc/34/45/55/1098344555.db2.gz NCRUGWGDDXWKKT-GXTWGEPZSA-N 0 0 349.427 2.467 10 10 EECERN Cc1cc(C(=O)N2CCN(C)C[C@@H]2CO)c(C)n1-c1ccccc1C ZINC001454222206 1106911183 /nfs/dbraw/zinc/91/11/83/1106911183.db2.gz OQRXVCCTRQLKTE-QGZVFWFLSA-N 0 0 341.455 2.151 10 10 EECERN COc1cccc(-n2cc(C(=O)N[C@@H](C)c3ccccc3O)nn2)c1 ZINC001454815530 1107709167 /nfs/dbraw/zinc/70/91/67/1107709167.db2.gz GRKBMQNMSLIKLS-LBPRGKRZSA-N 0 0 338.367 2.473 10 10 EECERN O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1c(F)ccc(O)c1[O-] ZINC001457751903 1109752966 /nfs/dbraw/zinc/75/29/66/1109752966.db2.gz FWGZMFXZIBDBON-UHFFFAOYSA-N 0 0 343.314 2.103 10 10 EECERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467508203 1110457763 /nfs/dbraw/zinc/45/77/63/1110457763.db2.gz PGNNIWYODVNJIN-ZDUSSCGKSA-N 0 0 326.360 2.390 10 10 EECERN COc1ccc(-n2cc(C(=O)N[C@@H](C)c3ccccc3O)nn2)cc1 ZINC001471198623 1110518861 /nfs/dbraw/zinc/51/88/61/1110518861.db2.gz LPMGGMGBXWXHGJ-LBPRGKRZSA-N 0 0 338.367 2.473 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC001471308622 1110520731 /nfs/dbraw/zinc/52/07/31/1110520731.db2.gz QCIIMZBFSKCLAU-HNNXBMFYSA-N 0 0 339.395 2.047 10 10 EECERN COc1ccc(N2CCC(NC(=O)C3=C[S@](=O)CCC3)CC2)cc1 ZINC001546188077 1110525998 /nfs/dbraw/zinc/52/59/98/1110525998.db2.gz LQSKUXPTONWOBY-XMMPIXPASA-N 0 0 348.468 2.207 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1CCOCC(F)F ZINC001543150913 1124121714 /nfs/dbraw/zinc/12/17/14/1124121714.db2.gz OJHVKFRZZDRWJO-UHFFFAOYSA-N 0 0 326.347 2.210 10 10 EECERN Cc1occc(=O)c1OCC(=O)Nc1c2nonc2ccc1Cl ZINC001543805764 1124135437 /nfs/dbraw/zinc/13/54/37/1124135437.db2.gz LHTVQFFAGKLVSZ-UHFFFAOYSA-N 0 0 335.703 2.155 10 10 EECERN CC(NCCO)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000101834191 219167037 /nfs/dbraw/zinc/16/70/37/219167037.db2.gz BIGCEPHTSMOJOA-GHRIWEEISA-N 0 0 339.370 2.433 10 10 EECERN Cc1cc(CNC(=O)CS(=O)(=O)C2CCCC2)ccc1N(C)C ZINC000071896287 215934327 /nfs/dbraw/zinc/93/43/27/215934327.db2.gz WNVFIUHIAGQQRB-UHFFFAOYSA-N 0 0 338.473 2.035 10 10 EECERN Cc1ccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1C ZINC000075137910 462684917 /nfs/dbraw/zinc/68/49/17/462684917.db2.gz JLMHMWQAVVTDJK-UXBLZVDNSA-N 0 0 339.439 2.500 10 10 EECERN O=C(NCc1ccc(N2CCNC(=O)C2)cc1)c1ccc(Cl)s1 ZINC000040515614 463458489 /nfs/dbraw/zinc/45/84/89/463458489.db2.gz LUELMAZNKASWJS-UHFFFAOYSA-N 0 0 349.843 2.268 10 10 EECERN NC(=O)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000164042504 463614109 /nfs/dbraw/zinc/61/41/09/463614109.db2.gz HTNRMQLQQDCBBR-UHFFFAOYSA-N 0 0 340.383 2.087 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N(C)C)nc1 ZINC000276856809 463783622 /nfs/dbraw/zinc/78/36/22/463783622.db2.gz JJYCSLFUMMNXHS-NSHDSACASA-N 0 0 330.388 2.312 10 10 EECERN CC(=O)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000268630810 463785864 /nfs/dbraw/zinc/78/58/64/463785864.db2.gz BGUAPCKSPULJLL-OAHLLOKOSA-N 0 0 344.459 2.049 10 10 EECERN CCCOc1ccc(CN2CCOC[C@@H]2c2nc(C)no2)c(O)c1 ZINC000188480661 464291285 /nfs/dbraw/zinc/29/12/85/464291285.db2.gz WRITVECTEOJHGA-OAHLLOKOSA-N 0 0 333.388 2.446 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-n2cncn2)cc1 ZINC000346595390 466114043 /nfs/dbraw/zinc/11/40/43/466114043.db2.gz RINQDTUQZVLBPR-UHFFFAOYSA-N 0 0 349.394 2.373 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[C@@H](CO)C1 ZINC000298828262 526678858 /nfs/dbraw/zinc/67/88/58/526678858.db2.gz HHXKAFKWVCNIKJ-SJORKVTESA-N 0 0 329.444 2.413 10 10 EECERN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC(=O)C1 ZINC000367931395 527534062 /nfs/dbraw/zinc/53/40/62/527534062.db2.gz NQBVMCPGCIEWLG-UHFFFAOYSA-N 0 0 338.354 2.352 10 10 EECERN COC(=O)Cc1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734062599 577275223 /nfs/dbraw/zinc/27/52/23/577275223.db2.gz JXPIKSSVCQSNEJ-UHFFFAOYSA-N 0 0 344.367 2.438 10 10 EECERN Cc1cc(C(=O)NCc2cccc(CO)n2)c(C)n1-c1ccccn1 ZINC000773603607 577353920 /nfs/dbraw/zinc/35/39/20/577353920.db2.gz SGABJZGCKHOMSD-UHFFFAOYSA-N 0 0 336.395 2.306 10 10 EECERN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000775371879 577436074 /nfs/dbraw/zinc/43/60/74/577436074.db2.gz XEAODMBDGVTHSZ-OLSJYMTNSA-N 0 0 348.399 2.094 10 10 EECERN COc1ccc(N2CCCN(Cc3nc(C)cc(=O)[nH]3)CC2)cc1 ZINC000761866198 577690491 /nfs/dbraw/zinc/69/04/91/577690491.db2.gz RCLGEHCZWIQYQZ-UHFFFAOYSA-N 0 0 328.416 2.212 10 10 EECERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1O ZINC000751533879 577755104 /nfs/dbraw/zinc/75/51/04/577755104.db2.gz STRNUPQIIIBVBC-NSHDSACASA-N 0 0 349.408 2.301 10 10 EECERN COc1ccc(O)c([C@H](C)NS(=O)(=O)CC2(OC)CCCC2)c1 ZINC000866842146 674591409 /nfs/dbraw/zinc/59/14/09/674591409.db2.gz RSYNRTLOJUFFPF-LBPRGKRZSA-N 0 0 343.445 2.340 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C)C1=O ZINC000294400076 679749267 /nfs/dbraw/zinc/74/92/67/679749267.db2.gz JDTZYYINGXIOIQ-KRWDZBQOSA-N 0 0 331.460 2.358 10 10 EECERN Nc1cccnc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866898702 681335993 /nfs/dbraw/zinc/33/59/93/681335993.db2.gz WWDUGRVOCFFHAU-AWEZNQCLSA-N 0 0 327.384 2.191 10 10 EECERN CCOC(=O)c1nnc([C@H](C)[NH2+]CC=Cc2ccc(N(C)C)cc2)[n-]1 ZINC000895237432 684342792 /nfs/dbraw/zinc/34/27/92/684342792.db2.gz HCZUVKGIGDFKQG-YBJDMEARSA-N 0 0 343.431 2.411 10 10 EECERN CN(CC(=O)N1CCCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895524101 684635322 /nfs/dbraw/zinc/63/53/22/684635322.db2.gz JCUNYORIDIQUOM-UHFFFAOYSA-N 0 0 334.397 2.007 10 10 EECERN COC(=O)[C@H](C[C@H]1CCCO1)NC/C=C\c1ccc(N(C)C)cc1 ZINC000895864423 684747773 /nfs/dbraw/zinc/74/77/73/684747773.db2.gz OEPWMOFCFAELGY-XYDITTIYSA-N 0 0 332.444 2.466 10 10 EECERN Cc1nc(CN2CCN(Cc3c(O)cc(C)cc3Cl)CC2)no1 ZINC000840918561 684923690 /nfs/dbraw/zinc/92/36/90/684923690.db2.gz VGGOWRFLFNJGIL-UHFFFAOYSA-N 0 0 336.823 2.363 10 10 EECERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867834073 1201690417 /nfs/dbraw/zinc/69/04/17/1201690417.db2.gz KLZRBEUESJXNCC-NJZAAPMLSA-N 0 0 341.429 2.104 10 10 EECERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N[C@@H](C)c3ccccc3O)[C@H]2C1 ZINC000868618955 1201846537 /nfs/dbraw/zinc/84/65/37/1201846537.db2.gz ZTFRYVSXJQVSRN-ZFZWDLNGSA-N 0 0 345.443 2.399 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H](C)O[C@H]3C)C2)cc1 ZINC000868957091 1201912278 /nfs/dbraw/zinc/91/22/78/1201912278.db2.gz WJPKINPKZBZSCA-OIPACUDHSA-N 0 0 332.444 2.451 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)c1ccncc1 ZINC000868966482 1201913898 /nfs/dbraw/zinc/91/38/98/1201913898.db2.gz PXVNGJNDAATIMC-AWEZNQCLSA-N 0 0 342.395 2.483 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)Cn3ccc(C)n3)C2)cc1 ZINC000869228876 1201969837 /nfs/dbraw/zinc/96/98/37/1201969837.db2.gz PJFXXZSIFAMIFM-GOEBONIOSA-N 0 0 342.443 2.231 10 10 EECERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c(C)n1-c1ccccn1 ZINC000133082667 1202167120 /nfs/dbraw/zinc/16/71/20/1202167120.db2.gz ZQEISKNHTPORHD-HUUCEWRRSA-N 0 0 340.427 2.263 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000885033622 1202384804 /nfs/dbraw/zinc/38/48/04/1202384804.db2.gz YQMVTUXYYXKDCI-OLZOCXBDSA-N 0 0 341.404 2.161 10 10 EECERN CCn1nc(C)c([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000926723443 1206239812 /nfs/dbraw/zinc/23/98/12/1206239812.db2.gz FLIWYFZUNJRIES-AWEZNQCLSA-N 0 0 343.475 2.418 10 10 EECERN COc1ccc(N(C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)c(OC)c1 ZINC000930076036 1206533158 /nfs/dbraw/zinc/53/31/58/1206533158.db2.gz BKSXAEZMCUJQMN-CYBMUJFWSA-N 0 0 336.432 2.166 10 10 EECERN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C)[C@H](F)C3)CC2)cc1 ZINC000778231717 1207925048 /nfs/dbraw/zinc/92/50/48/1207925048.db2.gz CXEJUBHDCNODNQ-CRAIPNDOSA-N 0 0 349.450 2.024 10 10 EECERN Cc1cc(Br)c(O)c([C@H]2NC(=O)[C@H]3CSCCN32)c1 ZINC000781558793 1208019838 /nfs/dbraw/zinc/01/98/38/1208019838.db2.gz ZQQFJYGVALMACC-PWSUYJOCSA-N 0 0 343.246 2.009 10 10 EECERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000191858020 1210389567 /nfs/dbraw/zinc/38/95/67/1210389567.db2.gz SQBPLGVKBQMZIE-VIFPVBQESA-N 0 0 334.332 2.016 10 10 EECERN C[C@H](NC(=O)N1CCO[C@@H](C(F)F)C1)c1ccc(N(C)C)cc1 ZINC000801049978 1235012432 /nfs/dbraw/zinc/01/24/32/1235012432.db2.gz AHPJFECMZHMBBH-SMDDNHRTSA-N 0 0 327.375 2.489 10 10 EECERN CCCn1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)nn1 ZINC000902760662 1238460279 /nfs/dbraw/zinc/46/02/79/1238460279.db2.gz JQMMRWZVAVPBKM-OAHLLOKOSA-N 0 0 329.448 2.376 10 10 EECERN O=C1CCC2=C(CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)N1 ZINC000826781095 1248060791 /nfs/dbraw/zinc/06/07/91/1248060791.db2.gz VUQQXZHOSWJBKY-UHFFFAOYSA-N 0 0 337.763 2.324 10 10 EECERN COc1c([O-])c(C[NH2+]CC2(O)CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000827650525 1248589026 /nfs/dbraw/zinc/58/90/26/1248589026.db2.gz RFQIRXGHGWECGR-UHFFFAOYSA-N 0 0 346.330 2.339 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)no3)C2)cc1 ZINC000852035707 1291964594 /nfs/dbraw/zinc/96/45/94/1291964594.db2.gz VSVRAOKXVVDAJN-ZDUSSCGKSA-N 0 0 330.388 2.070 10 10 EECERN O=C(NCCO[C@H]1CC1(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000852529826 1292127316 /nfs/dbraw/zinc/12/73/16/1292127316.db2.gz MGMHXNMYASZZFM-HNNXBMFYSA-N 0 0 340.370 2.494 10 10 EECERN CN(C)c1ccc(CNC(=O)NCC2(CC(N)=O)CCCCC2)cc1 ZINC000852694806 1292166624 /nfs/dbraw/zinc/16/66/24/1292166624.db2.gz ZMOZBKABZCUDEK-UHFFFAOYSA-N 0 0 346.475 2.378 10 10 EECERN Cc1cc(C(=O)OC[C@@H]2CCC(=O)NC2)c(C)n1-c1ccccn1 ZINC000853138538 1292294041 /nfs/dbraw/zinc/29/40/41/1292294041.db2.gz WCCBJNCNDFCIAH-CQSZACIVSA-N 0 0 327.384 2.172 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCCOCC3CC3)C2)cc1 ZINC000853249903 1292340463 /nfs/dbraw/zinc/34/04/63/1292340463.db2.gz JPBZRVYMXKYOJL-MRXNPFEDSA-N 0 0 347.459 2.390 10 10 EECERN Cc1cc(CC(=O)OC[C@@H]2CCC(=O)N2)c(C)n1-c1ccccc1 ZINC000853932108 1292536270 /nfs/dbraw/zinc/53/62/70/1292536270.db2.gz BQNUSNQXYNUFET-INIZCTEOSA-N 0 0 326.396 2.458 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)[C@@H]1CCOC1 ZINC000854276303 1292700979 /nfs/dbraw/zinc/70/09/79/1292700979.db2.gz LVKYYSRJVZNJFW-NVXWUHKLSA-N 0 0 336.432 2.365 10 10 EECERN CCOCC(C)(C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296616 1292707816 /nfs/dbraw/zinc/70/78/16/1292707816.db2.gz FEMIUWGPAYEMHT-CQSZACIVSA-N 0 0 335.448 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(C4CC4)cnn3C)C2)cc1 ZINC000855223831 1293116501 /nfs/dbraw/zinc/11/65/01/1293116501.db2.gz IKYOAJZFSHJZRK-AWEZNQCLSA-N 0 0 340.427 2.315 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(F)ccnc3F)C2)cc1 ZINC000855225655 1293117880 /nfs/dbraw/zinc/11/78/80/1293117880.db2.gz LCADCTAUXSQAFD-NSHDSACASA-N 0 0 333.338 2.377 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CC(C)(C)COC(C)=O)C2)cc1 ZINC000855228138 1293119700 /nfs/dbraw/zinc/11/97/00/1293119700.db2.gz WBRKGMCAUKSWDU-OAHLLOKOSA-N 0 0 348.443 2.370 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C3(CF)CCOCC3)C2)cc1 ZINC000855227709 1293119750 /nfs/dbraw/zinc/11/97/50/1293119750.db2.gz YEVRDJPZZRBRCP-AWEZNQCLSA-N 0 0 336.407 2.156 10 10 EECERN CCOc1ncccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231616 1293122195 /nfs/dbraw/zinc/12/21/95/1293122195.db2.gz KHHOYMPELBDMHB-CQSZACIVSA-N 0 0 341.411 2.498 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCOCC1 ZINC000856212498 1293446388 /nfs/dbraw/zinc/44/63/88/1293446388.db2.gz OCTXXLPGAHKSSQ-HNNXBMFYSA-N 0 0 346.471 2.327 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)COCc2cc[nH]c(=O)c2)cc1 ZINC000858199353 1294042922 /nfs/dbraw/zinc/04/29/22/1294042922.db2.gz JGJFLJMSURNETB-UHFFFAOYSA-N 0 0 329.400 2.028 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC000860003889 1294746391 /nfs/dbraw/zinc/74/63/91/1294746391.db2.gz SBHXTPQEWGMACU-OAHLLOKOSA-N 0 0 349.383 2.029 10 10 EECERN COc1cc(COCC(=O)NCc2cc(Cl)ccc2O)ccn1 ZINC000862130948 1295712897 /nfs/dbraw/zinc/71/28/97/1295712897.db2.gz ONRWESWLVDTCRC-UHFFFAOYSA-N 0 0 336.775 2.282 10 10 EECERN CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000862551830 1295879158 /nfs/dbraw/zinc/87/91/58/1295879158.db2.gz QDNZQXNWEADNCY-GFCCVEGCSA-N 0 0 346.880 2.115 10 10 EECERN CN1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1Cc1ccccc1 ZINC001140247977 1314845371 /nfs/dbraw/zinc/84/53/71/1314845371.db2.gz KBTAHMBFVKTILS-QGZVFWFLSA-N 0 0 340.423 2.026 10 10 EECERN COc1cc(N2CCN(Cc3c(O)cc(C)cc3Cl)CC2)ncn1 ZINC000840938945 1315441882 /nfs/dbraw/zinc/44/18/82/1315441882.db2.gz INWNZINMECQZNP-UHFFFAOYSA-N 0 0 348.834 2.475 10 10 EECERN Cc1ccc(C)c(CN(C)C(=O)C(=O)NCCc2ccc(N)cc2)c1 ZINC000842235784 1315676914 /nfs/dbraw/zinc/67/69/14/1315676914.db2.gz JKOFLKFPLHHLGW-UHFFFAOYSA-N 0 0 339.439 2.203 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)COc3ccsn3)C2)cc1 ZINC001142797673 1315752350 /nfs/dbraw/zinc/75/23/50/1315752350.db2.gz GFSJJFRRCABBDA-ZDUSSCGKSA-N 0 0 347.440 2.173 10 10 EECERN C/C=C/C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OCC ZINC001153950409 1316922713 /nfs/dbraw/zinc/92/27/13/1316922713.db2.gz MCPQJLDQFPTFBB-XMZGJOHFSA-N 0 0 332.360 2.477 10 10 EECERN CS(=O)(=O)c1ccc(F)c(C(=O)NCc2c(O)cccc2F)c1 ZINC001156170337 1317905098 /nfs/dbraw/zinc/90/50/98/1317905098.db2.gz LKSXKMDKHHFFTO-UHFFFAOYSA-N 0 0 341.335 2.004 10 10 EECERN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001293599491 1328757891 /nfs/dbraw/zinc/75/78/91/1328757891.db2.gz YCBPUNPJKNSKTR-GXTWGEPZSA-N 0 0 345.403 2.226 10 10 EECERN CC(C)CS(=O)(=O)CC(=O)NCc1c(O)ccc2ccccc21 ZINC001157042136 1318364036 /nfs/dbraw/zinc/36/40/36/1318364036.db2.gz ZAUVGUUEOPESAM-UHFFFAOYSA-N 0 0 335.425 2.232 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(NC(N)=O)cc1 ZINC001157101600 1318402972 /nfs/dbraw/zinc/40/29/72/1318402972.db2.gz BPEPHXONZBVBHA-UHFFFAOYSA-N 0 0 334.372 2.299 10 10 EECERN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001293870474 1328830820 /nfs/dbraw/zinc/83/08/20/1328830820.db2.gz OGNPOERYNWFKFH-PKOBYXMFSA-N 0 0 327.380 2.495 10 10 EECERN CO[C@H]1C[C@H]2CN(C(=O)C3=CC(=O)CS3)Cc3cccnc3N2C1 ZINC001261885970 1322193591 /nfs/dbraw/zinc/19/35/91/1322193591.db2.gz QLHUEUVRVHOZSH-JSGCOSHPSA-N 0 0 345.424 2.098 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)C1CCC1 ZINC001285722790 1327123775 /nfs/dbraw/zinc/12/37/75/1327123775.db2.gz HZPMZVQOHBXJBS-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN C=CC(=O)Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC001294912137 1329763141 /nfs/dbraw/zinc/76/31/41/1329763141.db2.gz BQCGDBTVLUTUBN-UHFFFAOYSA-N 0 0 326.352 2.195 10 10 EECERN COc1ccc(CNC(=O)c2ccc(-c3cnn(C)c3)o2)c(O)c1 ZINC001296967366 1329935362 /nfs/dbraw/zinc/93/53/62/1329935362.db2.gz ASEFODLEIGFHGP-UHFFFAOYSA-N 0 0 327.340 2.324 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cnnn1-c1ccccc1Cl ZINC001304051539 1331374965 /nfs/dbraw/zinc/37/49/65/1331374965.db2.gz WIUXOVAETXGLDZ-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001318601287 1332566103 /nfs/dbraw/zinc/56/61/03/1332566103.db2.gz YUPWJOJCZCACLF-BYICEURKSA-N 0 0 331.460 2.363 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001320141921 1332836568 /nfs/dbraw/zinc/83/65/68/1332836568.db2.gz FKPJXAPGADCXPX-QDEZUTFSSA-N 0 0 347.411 2.124 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CC1(F)F ZINC001347966902 1337528169 /nfs/dbraw/zinc/52/81/69/1337528169.db2.gz XUJPUDJXBRDGQA-CYBMUJFWSA-N 0 0 340.370 2.292 10 10 EECERN CN(C(=O)C1=CC(=O)CS1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001350994569 1337779855 /nfs/dbraw/zinc/77/98/55/1337779855.db2.gz YYZBXBGBXWVBFR-PJXYFTJBSA-N 0 0 338.429 2.391 10 10 EECERN O=C(C(=O)N1CC[C@H]2CCCC[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC001351811617 1337852483 /nfs/dbraw/zinc/85/24/83/1337852483.db2.gz YKUYAEQWEIDROP-KGLIPLIRSA-N 0 0 328.412 2.273 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001352627760 1338008904 /nfs/dbraw/zinc/00/89/04/1338008904.db2.gz WKRKDMTUJANIGU-CVEARBPZSA-N 0 0 329.444 2.147 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(n2)OCCO3)c1 ZINC000847589827 1338194194 /nfs/dbraw/zinc/19/41/94/1338194194.db2.gz NLZGPIZMKRNRNO-SNVBAGLBSA-N 0 0 330.340 2.058 10 10 EECERN CCc1cccc(CN2CCOC[C@@H]2c2noc(COC)n2)c1O ZINC000848901213 1338800539 /nfs/dbraw/zinc/80/05/39/1338800539.db2.gz PLHOHJJQLINQJS-CQSZACIVSA-N 0 0 333.388 2.058 10 10 EECERN CC(=O)N1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccc21 ZINC001545816373 1339376018 /nfs/dbraw/zinc/37/60/18/1339376018.db2.gz IJFUNHYZYVZAIS-HNNXBMFYSA-N 0 0 340.379 2.254 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C2CC2)[nH]c1=O ZINC001556157962 1342423237 /nfs/dbraw/zinc/42/32/37/1342423237.db2.gz NZJHDUGMPAYYNQ-SNVBAGLBSA-N 0 0 328.368 2.437 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc2c(c1)NC(=O)CCS2 ZINC001557085035 1342440423 /nfs/dbraw/zinc/44/04/23/1342440423.db2.gz ZMIGETNBUYQIQT-UHFFFAOYSA-N 0 0 344.392 2.462 10 10 EECERN COc1cccc2[nH]cc(CC(=O)NCc3ccc(O)cc3O)c21 ZINC001557084911 1342440652 /nfs/dbraw/zinc/44/06/52/1342440652.db2.gz SUIWMMKICHMDBY-UHFFFAOYSA-N 0 0 326.352 2.447 10 10 EECERN C[C@@](CO)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001557283009 1342445236 /nfs/dbraw/zinc/44/52/36/1342445236.db2.gz DZFXZCLSEQSTAD-KRWDZBQOSA-N 0 0 326.356 2.487 10 10 EECERN CC(C)C[C@H](NCC(F)(F)F)C(=O)NCc1cc(O)ccc1O ZINC001593881717 1349873132 /nfs/dbraw/zinc/87/31/32/1349873132.db2.gz MWMHCIJAOBUQFE-LBPRGKRZSA-N 0 0 334.338 2.281 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C3CC3)[nH]c2=O)c1 ZINC001622779802 1352389063 /nfs/dbraw/zinc/38/90/63/1352389063.db2.gz WQSFRMRMBZWPPT-SECBINFHSA-N 0 0 329.356 2.265 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC001623574657 1352400256 /nfs/dbraw/zinc/40/02/56/1352400256.db2.gz WBZIQBVEUWRTSD-NSHDSACASA-N 0 0 343.420 2.407 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]nc1-c1ccco1 ZINC001624955185 1352435700 /nfs/dbraw/zinc/43/57/00/1352435700.db2.gz UAGBEVWWIWMOQI-SNVBAGLBSA-N 0 0 327.340 2.442 10 10 EECERN CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001628464395 1352534905 /nfs/dbraw/zinc/53/49/05/1352534905.db2.gz BZHBKKXUOKQAEX-UHFFFAOYSA-N 0 0 349.391 2.494 10 10 EECERN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@]2(CCCOC2)O1 ZINC001634155339 1352622671 /nfs/dbraw/zinc/62/26/71/1352622671.db2.gz HACFRUOEABHKEE-YVEFUNNKSA-N 0 0 346.387 2.259 10 10 EECERN Cc1ccc(C2=NO[C@H](CNC(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001635003728 1352638329 /nfs/dbraw/zinc/63/83/29/1352638329.db2.gz NSSGDNHQCRROJE-HNNXBMFYSA-N 0 0 340.379 2.258 10 10 EECERN Cn1c(=O)oc2c1cccc2C(=O)NCc1ccc2cccnc2c1O ZINC001638573424 1352689825 /nfs/dbraw/zinc/68/98/25/1352689825.db2.gz WMMUGTBXPDGRGK-UHFFFAOYSA-N 0 0 349.346 2.315 10 10 EECERN Cn1ncc(C(F)(F)F)c1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001641308754 1352720563 /nfs/dbraw/zinc/72/05/63/1352720563.db2.gz PMSJNGFOEAMWHE-HYXAFXHYSA-N 0 0 341.289 2.180 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(Cl)nc2[nH]c(=O)[nH]c21 ZINC001642559773 1352734096 /nfs/dbraw/zinc/73/40/96/1352734096.db2.gz WTQVYIQRWDSWFO-ZCFIWIBFSA-N 0 0 335.751 2.166 10 10 EECERN COCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccnc1 ZINC001644762515 1352768945 /nfs/dbraw/zinc/76/89/45/1352768945.db2.gz CYYVYWKVRABATL-ZKKXHLJNSA-N 0 0 328.368 2.400 10 10 EECERN C[S@](=O)Cc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001651006317 1354036437 /nfs/dbraw/zinc/03/64/37/1354036437.db2.gz WYJFNGPMTXHWNR-QHCPKHFHSA-N 0 0 337.372 2.045 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccn(CCC(F)(F)F)n1 ZINC001651225460 1354045021 /nfs/dbraw/zinc/04/50/21/1354045021.db2.gz KHVWLIVPLSFWDC-UHFFFAOYSA-N 0 0 329.278 2.177 10 10 EECERN CCOC(=O)c1nc(NCc2c(O)cccc2O)cc(C(C)(C)C)n1 ZINC001655887245 1354189114 /nfs/dbraw/zinc/18/91/14/1354189114.db2.gz FJGXRONKCBQVOF-UHFFFAOYSA-N 0 0 345.399 2.396 10 10 EECERN CN(CCNCc1cscn1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001664402691 1355155850 /nfs/dbraw/zinc/15/58/50/1355155850.db2.gz FZHSEKALQBTOKA-UHFFFAOYSA-N 0 0 346.416 2.167 10 10 EECERN Nc1n[nH]c(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)n1 ZINC001675310721 1356962035 /nfs/dbraw/zinc/96/20/35/1356962035.db2.gz ZEGPMAOBPOOVEU-UHFFFAOYSA-N 0 0 344.419 2.137 10 10 EECERN C[C@H](NC(=O)N1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001681778369 1358069885 /nfs/dbraw/zinc/06/98/85/1358069885.db2.gz ASIVYSZXTCCLGM-ZQDZILKHSA-N 0 0 346.475 2.463 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cn(Cc2ccccc2)nn1 ZINC000588611301 761167711 /nfs/dbraw/zinc/16/77/11/761167711.db2.gz JSTBPGSISYKFDV-CLFYSBASSA-N 0 0 336.351 2.390 10 10 EECERN COCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000846786775 790548714 /nfs/dbraw/zinc/54/87/14/790548714.db2.gz CGPCUYGXOVRPHX-UHFFFAOYSA-N 0 0 338.791 2.236 10 10 EECERN COc1ccc(CNC(=O)[C@@H]2COC[C@@H]2c2ccccc2)c(O)c1 ZINC000846948986 790769075 /nfs/dbraw/zinc/76/90/75/790769075.db2.gz FAZJIPPHYAXZJK-IAGOWNOFSA-N 0 0 327.380 2.447 10 10 EECERN Cc1cc(C(=O)N2CC3(C2)CNC(=O)O3)c(C)n1-c1cccc(C)c1 ZINC000817679534 784916911 /nfs/dbraw/zinc/91/69/11/784916911.db2.gz ZHHGAJFJRXGNTA-UHFFFAOYSA-N 0 0 339.395 2.337 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H](C)O[C@@H](C)C3)C2)cc1 ZINC000818092618 785179913 /nfs/dbraw/zinc/17/99/13/785179913.db2.gz UGXUQMSHCMZHBT-HRCADAONSA-N 0 0 347.459 2.340 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCOC[C@H]3C)C2)cc1 ZINC000819588122 785597209 /nfs/dbraw/zinc/59/72/09/785597209.db2.gz JNSGZZACMQJJCR-IIDMSEBBSA-N 0 0 332.444 2.310 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCOC3(C)C)C2)cc1 ZINC000823661581 787858356 /nfs/dbraw/zinc/85/83/56/787858356.db2.gz YXXJXRUWDQONFN-RHSMWYFYSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3COCC3(C)C)C2)cc1 ZINC000823680201 787886190 /nfs/dbraw/zinc/88/61/90/787886190.db2.gz HPYXYEMLYFTJEB-PBHICJAKSA-N 0 0 347.459 2.246 10 10 EECERN C[C@H](NC(=O)C(C)(C)n1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000823834314 787955797 /nfs/dbraw/zinc/95/57/97/787955797.db2.gz APSZIOZQZFLUBQ-HNNXBMFYSA-N 0 0 342.443 2.332 10 10 EECERN O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc2n1CCOC2 ZINC000824261718 788111960 /nfs/dbraw/zinc/11/19/60/788111960.db2.gz JHNUGBIWIJASKE-UHFFFAOYSA-N 0 0 340.427 2.334 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cccn(CC(F)(F)F)c2=O)c1 ZINC000913000899 788538193 /nfs/dbraw/zinc/53/81/93/788538193.db2.gz YZJAGNSSYSQLMJ-UHFFFAOYSA-N 0 0 340.301 2.355 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(C)(C(N)=O)C1 ZINC000843938931 788762325 /nfs/dbraw/zinc/76/23/25/788762325.db2.gz GFLVAHGIIVJCMN-UHFFFAOYSA-N 0 0 325.412 2.350 10 10 EECERN CC(C)(C)c1cc(O)c(O)c(CN2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000151434554 788959178 /nfs/dbraw/zinc/95/91/78/788959178.db2.gz KIXJWRWHLWTGHM-UHFFFAOYSA-N 0 0 341.473 2.404 10 10 EECERN Cc1cc(C(=O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c(C)n1-c1ccccc1 ZINC000844430784 789116591 /nfs/dbraw/zinc/11/65/91/789116591.db2.gz DSGSWRMVAMQASY-WOGXIUBCSA-N 0 0 342.464 2.482 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)NCC[C@H]2CCOC2)cc1 ZINC000845109809 789578868 /nfs/dbraw/zinc/57/88/68/789578868.db2.gz TTZALXYOLLTHSL-HNNXBMFYSA-N 0 0 335.448 2.199 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(=O)Nc1cccnc1 ZINC000157201224 789683919 /nfs/dbraw/zinc/68/39/19/789683919.db2.gz DEJAMBFJUVFXSI-UHFFFAOYSA-N 0 0 349.350 2.014 10 10 EECERN C[C@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001147094378 791696587 /nfs/dbraw/zinc/69/65/87/791696587.db2.gz PTLBNDGVWWLETQ-KRWDZBQOSA-N 0 0 326.356 2.487 10 10 EECERN Cc1nn(C)c(C)c1[C@H](NC(=O)c1cccc(O)c1O)C(F)(F)F ZINC001148630981 792614096 /nfs/dbraw/zinc/61/40/96/792614096.db2.gz AXBSCSIUKCLJJP-ZDUSSCGKSA-N 0 0 343.305 2.482 10 10 EECERN O=C(NCCCN1CCCCCC1=O)NCc1c(O)cccc1F ZINC000913899401 794509027 /nfs/dbraw/zinc/50/90/27/794509027.db2.gz MDOHLVVUHYSFBB-UHFFFAOYSA-N 0 0 337.395 2.123 10 10 EECERN CCN1CCO[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715711669 795483379 /nfs/dbraw/zinc/48/33/79/795483379.db2.gz HATUZQRHNCRZRX-GFCCVEGCSA-N 0 0 347.228 2.104 10 10 EECERN CN(C)c1ccc(CNC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1F ZINC000915366503 795941883 /nfs/dbraw/zinc/94/18/83/795941883.db2.gz PIDXAAGXFIYJOK-ZNMIVQPWSA-N 0 0 333.407 2.282 10 10 EECERN COc1ccc(O)c(CNC(=O)NCC[C@H](OC)C(F)(F)F)c1 ZINC000786764083 806879329 /nfs/dbraw/zinc/87/93/29/806879329.db2.gz PJWBEXLNCVUXHO-LBPRGKRZSA-N 0 0 336.310 2.167 10 10 EECERN CN(C)Cc1csc(CNCc2ccc(N3CCOCC3)cc2)n1 ZINC000922490923 801174176 /nfs/dbraw/zinc/17/41/76/801174176.db2.gz WTOHLLTUMBVRQE-UHFFFAOYSA-N 0 0 346.500 2.331 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1F ZINC000787402469 807117785 /nfs/dbraw/zinc/11/77/85/807117785.db2.gz VZNIFPJSIYKSGO-XOIINTDNSA-N 0 0 333.407 2.464 10 10 EECERN O=C(NCCOCC1CC1)NCc1cc(Br)ccc1O ZINC000805092217 811147782 /nfs/dbraw/zinc/14/77/82/811147782.db2.gz XBFZMGWDHURNFR-UHFFFAOYSA-N 0 0 343.221 2.381 10 10 EECERN CC(=O)C(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000808498993 812654285 /nfs/dbraw/zinc/65/42/85/812654285.db2.gz FJGMKTYNLLEWBN-UHFFFAOYSA-N 0 0 341.348 2.068 10 10 EECERN CC(=O)C(=O)COC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000808532978 812704290 /nfs/dbraw/zinc/70/42/90/812704290.db2.gz CKGGRFQJWZKOIX-UHFFFAOYSA-N 0 0 335.356 2.277 10 10 EECERN CC(C)[C@H](NC(N)=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001445636782 1091426747 /nfs/dbraw/zinc/42/67/47/1091426747.db2.gz DBDPPBKZMLIWJX-INIZCTEOSA-N 0 0 345.399 2.207 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(SC)[nH]c2=O)c1 ZINC001445971463 1091927531 /nfs/dbraw/zinc/92/75/31/1091927531.db2.gz VLLIWRBZDPFZQS-QMMMGPOBSA-N 0 0 335.385 2.109 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001450063065 1105183845 /nfs/dbraw/zinc/18/38/45/1105183845.db2.gz OJVDTYCCKQMYNL-QWRGUYRKSA-N 0 0 336.388 2.181 10 10 EECERN O=C(COc1ccc2ccc(=O)oc2c1)NCc1c(O)cccc1F ZINC001456086746 1109072093 /nfs/dbraw/zinc/07/20/93/1109072093.db2.gz HHTHWQYVODMGLI-UHFFFAOYSA-N 0 0 343.310 2.333 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC001456310561 1109139185 /nfs/dbraw/zinc/13/91/85/1109139185.db2.gz CNPIDMFLLTWOPC-MLGOLLRUSA-N 0 0 327.336 2.018 10 10 EECERN COc1ccc(N2CCCN(C(=O)Cc3[nH]cnc3C)CC2)cc1 ZINC001464350925 1110392161 /nfs/dbraw/zinc/39/21/61/1110392161.db2.gz QNMNCBURBASNPA-UHFFFAOYSA-N 0 0 328.416 2.008 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2cccc(-n3cncn3)c2)cc1 ZINC001465306536 1110415156 /nfs/dbraw/zinc/41/51/56/1110415156.db2.gz VLLPAIPPTZPCHR-UHFFFAOYSA-N 0 0 349.354 2.360 10 10 EECERN COC(=O)c1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 ZINC001466790298 1110443724 /nfs/dbraw/zinc/44/37/24/1110443724.db2.gz FLLOVFZUHWVKHR-JTQLQIEISA-N 0 0 333.340 2.147 10 10 EECERN Cc1ccc(C(=O)Nc2cc3oc(=O)n(C)c3cc2F)c(O)c1O ZINC001468837587 1110481021 /nfs/dbraw/zinc/48/10/21/1110481021.db2.gz ZGKYMAYJVBMBTG-UHFFFAOYSA-N 0 0 332.287 2.243 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCc1ncn(-c2ccccc2)n1 ZINC001470319010 1110504606 /nfs/dbraw/zinc/50/46/06/1110504606.db2.gz CDLBFOBIXJNUHE-UHFFFAOYSA-N 0 0 337.383 2.315 10 10 EECERN COc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1ccccc1 ZINC001471661585 1110527705 /nfs/dbraw/zinc/52/77/05/1110527705.db2.gz UJCRSONYWWOBOW-UHFFFAOYSA-N 0 0 339.351 2.222 10 10 EECERN O=C(Cc1cncn1Cc1ccccc1)NCc1c(O)cccc1O ZINC001472063627 1110540861 /nfs/dbraw/zinc/54/08/61/1110540861.db2.gz PPESIZFKIMQMPK-UHFFFAOYSA-N 0 0 337.379 2.202 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)CC1CC1 ZINC001508927480 1115684012 /nfs/dbraw/zinc/68/40/12/1115684012.db2.gz GQOTYNMKFCNRTP-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC1(O)CCC1 ZINC001517150494 1119025267 /nfs/dbraw/zinc/02/52/67/1119025267.db2.gz YGMULPSRYODRHL-UHFFFAOYSA-N 0 0 342.443 2.488 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001545637273 1124200644 /nfs/dbraw/zinc/20/06/44/1124200644.db2.gz QHORCZZIPAEBSN-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN Cc1cc(CNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1N(C)C ZINC000069924584 215634625 /nfs/dbraw/zinc/63/46/25/215634625.db2.gz WVCLNTJBGOJAFX-UHFFFAOYSA-N 0 0 346.452 2.395 10 10 EECERN O=C(Cc1cccc(O)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000101653396 237068521 /nfs/dbraw/zinc/06/85/21/237068521.db2.gz WLMWQJUEGYDGEJ-UHFFFAOYSA-N 0 0 326.396 2.088 10 10 EECERN C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)c(F)c1[O-] ZINC000191204087 287041447 /nfs/dbraw/zinc/04/14/47/287041447.db2.gz JCOVVNRZXKQNBK-SNVBAGLBSA-N 0 0 331.326 2.497 10 10 EECERN CC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](O)C(F)F ZINC000297104587 465244964 /nfs/dbraw/zinc/24/49/64/465244964.db2.gz GECWQTAPPPMNBP-YPMHNXCESA-N 0 0 333.354 2.096 10 10 EECERN C[C@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCO1 ZINC000119301929 462886337 /nfs/dbraw/zinc/88/63/37/462886337.db2.gz DPDPMYCMBNRERE-LJQANCHMSA-N 0 0 332.444 2.081 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)Cn2cncn2)cc1F ZINC000066927135 462948711 /nfs/dbraw/zinc/94/87/11/462948711.db2.gz SYQYQWAOSLPLQM-ZDUSSCGKSA-N 0 0 348.426 2.151 10 10 EECERN C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCCN(c2cccnn2)C1 ZINC000120249952 462978046 /nfs/dbraw/zinc/97/80/46/462978046.db2.gz PMTNUBPXSVYKPZ-AWEZNQCLSA-N 0 0 342.399 2.012 10 10 EECERN Cc1ccc(CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n1C ZINC000096035703 463142479 /nfs/dbraw/zinc/14/24/79/463142479.db2.gz JLMHMWQAVVTDJK-POHAHGRESA-N 0 0 339.439 2.500 10 10 EECERN CCN(C[C@H]1CCOC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000071889017 463457222 /nfs/dbraw/zinc/45/72/22/463457222.db2.gz LEDNGTXXDHSHTN-KRZKXXONSA-N 0 0 344.455 2.421 10 10 EECERN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cccc(O)c1O ZINC000185826119 463886503 /nfs/dbraw/zinc/88/65/03/463886503.db2.gz JWIGMYUMHXCEJU-JTQLQIEISA-N 0 0 334.322 2.385 10 10 EECERN CN1CCCc2cc(CNC(=O)N3C[C@H]4CCC[C@@H](C3)C4O)ccc21 ZINC000172129762 463995024 /nfs/dbraw/zinc/99/50/24/463995024.db2.gz FFXNBQAKFGJAOQ-JJTKIYQPSA-N 0 0 343.471 2.371 10 10 EECERN COc1cc(O)c(CN(C)Cc2nc([C@@H](C)OC)no2)cc1OC ZINC000271083123 464278934 /nfs/dbraw/zinc/27/89/34/464278934.db2.gz JQJKCWMVLXZDJZ-SNVBAGLBSA-N 0 0 337.376 2.132 10 10 EECERN CC[C@H]1NC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1=O ZINC000272331433 464568581 /nfs/dbraw/zinc/56/85/81/464568581.db2.gz UYKKRGQBVMCNEL-TYNCELHUSA-N 0 0 349.406 2.270 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272659724 464683195 /nfs/dbraw/zinc/68/31/95/464683195.db2.gz OKEATCMQZLUQKH-VUDGCMKMSA-N 0 0 333.384 2.301 10 10 EECERN C[C@@H]1C[C@@H](S(=O)(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000295235911 464755430 /nfs/dbraw/zinc/75/54/30/464755430.db2.gz UFTNVBUGZQGBDY-PBHICJAKSA-N 0 0 338.473 2.274 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000276040293 464795729 /nfs/dbraw/zinc/79/57/29/464795729.db2.gz NDWJJTSUZDQGKQ-YOEHRIQHSA-N 0 0 340.489 2.470 10 10 EECERN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nnc2n1CCCCC2 ZINC000365011548 466726561 /nfs/dbraw/zinc/72/65/61/466726561.db2.gz QFXMENFTYVNTBK-CRALRDPISA-N 0 0 342.399 2.306 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000375236432 466831378 /nfs/dbraw/zinc/83/13/78/466831378.db2.gz GDGHNFKVOROKAV-LKUPDRCFSA-N 0 0 336.351 2.135 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)N(C)[C@@H](C)CO)CCCC1 ZINC000651571305 471040176 /nfs/dbraw/zinc/04/01/76/471040176.db2.gz FCPSQGDVQSJGBR-ZDUSSCGKSA-N 0 0 330.428 2.368 10 10 EECERN Clc1ccc(C2=CCN(c3cncc(-n4cncn4)n3)CC2)cn1 ZINC000773254534 577327516 /nfs/dbraw/zinc/32/75/16/577327516.db2.gz KLHZZTSEWONCOD-UHFFFAOYSA-N 0 0 339.790 2.399 10 10 EECERN C[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773620800 577354998 /nfs/dbraw/zinc/35/49/98/577354998.db2.gz XBFYYGOCOWQQIQ-CYBMUJFWSA-N 0 0 334.464 2.370 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000773740219 577362028 /nfs/dbraw/zinc/36/20/28/577362028.db2.gz AXYQSFRYEYFCBQ-GFCCVEGCSA-N 0 0 338.367 2.040 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000773766632 577363621 /nfs/dbraw/zinc/36/36/21/577363621.db2.gz BZNWDALLICZZMR-NSHDSACASA-N 0 0 349.818 2.330 10 10 EECERN C[C@H](NCc1nsc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000775258867 577433847 /nfs/dbraw/zinc/43/38/47/577433847.db2.gz LEMSEBBYMOUZHL-ZDUSSCGKSA-N 0 0 347.488 2.292 10 10 EECERN O=C(NCCCSc1nccs1)N1CCSC[C@H]1CCO ZINC000775442652 577437358 /nfs/dbraw/zinc/43/73/58/577437358.db2.gz HEVSDSMMXHBIRM-LLVKDONJSA-N 0 0 347.531 2.135 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2CCO)cc1 ZINC000765428815 577500899 /nfs/dbraw/zinc/50/08/99/577500899.db2.gz NTTNTZBXSRHZLX-GOSISDBHSA-N 0 0 328.412 2.318 10 10 EECERN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000769468109 577578649 /nfs/dbraw/zinc/57/86/49/577578649.db2.gz AGNDCCURBDYFJO-JTQLQIEISA-N 0 0 348.262 2.021 10 10 EECERN COc1cccc(O)c1CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770350410 577594429 /nfs/dbraw/zinc/59/44/29/577594429.db2.gz GVSHUMUCKIEACB-XJKSGUPXSA-N 0 0 333.384 2.318 10 10 EECERN CCOC(=O)CC[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000760885942 577671433 /nfs/dbraw/zinc/67/14/33/577671433.db2.gz LBEVLTXGXYEHGI-NWDGAFQWSA-N 0 0 338.404 2.493 10 10 EECERN CN(C)c1nccc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000740760191 578107092 /nfs/dbraw/zinc/10/70/92/578107092.db2.gz YFZFUYUOCNEOEJ-UHFFFAOYSA-N 0 0 341.459 2.363 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cccc2ncnn21 ZINC000804736311 675610194 /nfs/dbraw/zinc/61/01/94/675610194.db2.gz PYKHBSKCTOAWSW-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN COCCCN1C(=O)/C(=C/c2cccc(OC)c2)C(C(=O)OC)=C1C ZINC000096833938 676589792 /nfs/dbraw/zinc/58/97/92/676589792.db2.gz FMVVQPDAKRYOSS-FOWTUZBSSA-N 0 0 345.395 2.404 10 10 EECERN NC(=O)C1CCN(c2ccc(CNC(=O)C3(C4CC4)CC3)cc2)CC1 ZINC000894590136 682978938 /nfs/dbraw/zinc/97/89/38/682978938.db2.gz WZYUYBRUDDDZDB-UHFFFAOYSA-N 0 0 341.455 2.195 10 10 EECERN COC(=O)c1c(CN2Cc3cnn(C)c3C2)c2cc(F)ccc2n1C ZINC000895281232 684430322 /nfs/dbraw/zinc/43/03/22/684430322.db2.gz BPMSNYODDGZVLJ-UHFFFAOYSA-N 0 0 342.374 2.353 10 10 EECERN O=C(NCCSCCCO)c1cc2cc(O)c(O)cc2s1 ZINC000896976391 686019790 /nfs/dbraw/zinc/01/97/90/686019790.db2.gz FWSOYTZEFNDIKR-UHFFFAOYSA-N 0 0 327.427 2.158 10 10 EECERN COc1ccc(N2CCN(C(=O)NCC3CSC3)CC2)cc1F ZINC000923820580 688722758 /nfs/dbraw/zinc/72/27/58/688722758.db2.gz ILKGXPNJXVNVCZ-UHFFFAOYSA-N 0 0 339.436 2.029 10 10 EECERN O=C(NCc1cccc(Br)c1O)NCC1CSC1 ZINC000923828712 692867525 /nfs/dbraw/zinc/86/75/25/692867525.db2.gz HMSBSUFDHVYFPW-UHFFFAOYSA-N 0 0 331.235 2.317 10 10 EECERN Cn1cc(-c2ccc(C(=O)NCCc3ccc(O)c(O)c3)o2)cn1 ZINC001545669238 1190014504 /nfs/dbraw/zinc/01/45/04/1190014504.db2.gz QGHJUKHRZSVXMN-UHFFFAOYSA-N 0 0 327.340 2.064 10 10 EECERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[C@@H](C)O1 ZINC000864633673 1197854889 /nfs/dbraw/zinc/85/48/89/1197854889.db2.gz BKWQXJCERSYASW-IIDMSEBBSA-N 0 0 332.444 2.295 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000115490639 1224444216 /nfs/dbraw/zinc/44/42/16/1224444216.db2.gz RKKVRCHHCBABHD-HNNXBMFYSA-N 0 0 339.439 2.496 10 10 EECERN Cc1cc(CC(=O)N2CC(n3cncn3)C2)c(C)n1-c1ccccc1 ZINC000825601608 1198178479 /nfs/dbraw/zinc/17/84/79/1198178479.db2.gz ZQULODNWXKKQJO-UHFFFAOYSA-N 0 0 335.411 2.312 10 10 EECERN CCO[C@@H](C(=O)NCCCSc1nccs1)[C@@H]1CCOC1 ZINC000865784982 1198374032 /nfs/dbraw/zinc/37/40/32/1198374032.db2.gz KYIKJDCIZGLCDL-VXGBXAGGSA-N 0 0 330.475 2.183 10 10 EECERN COCC[C@@H](COC)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000812574534 1200773151 /nfs/dbraw/zinc/77/31/51/1200773151.db2.gz URDRXWVKBYXUQR-INIZCTEOSA-N 0 0 349.475 2.478 10 10 EECERN CCOC(=O)c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)on1 ZINC000826136714 1201323044 /nfs/dbraw/zinc/32/30/44/1201323044.db2.gz FQXAEPDNABHLIL-UHFFFAOYSA-N 0 0 344.367 2.366 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4CSC[C@H]4C3)cc2N1 ZINC000866204142 1201464116 /nfs/dbraw/zinc/46/41/16/1201464116.db2.gz VHNJBJVDGVFVBA-NXEZZACHSA-N 0 0 335.385 2.115 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)ccc21 ZINC000868902829 1201902750 /nfs/dbraw/zinc/90/27/50/1201902750.db2.gz HKAOWKYCIWXUJG-HRAJDOBDSA-N 0 0 341.455 2.292 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCn3nccc32)c1 ZINC000869219596 1201967481 /nfs/dbraw/zinc/96/74/81/1201967481.db2.gz YUULWFOJNDWVDZ-SMDDNHRTSA-N 0 0 330.388 2.493 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nnc([C@H]2CCCO2)s1 ZINC001649171293 1202443465 /nfs/dbraw/zinc/44/34/65/1202443465.db2.gz YKLNRVDYYXQVDX-TXNVCOODSA-N 0 0 333.369 2.453 10 10 EECERN COCc1ccc([C@@H]2COCCN2C(=O)c2ccc(C)c(O)c2O)o1 ZINC000928523855 1206395964 /nfs/dbraw/zinc/39/59/64/1206395964.db2.gz TVFBXLUGGFQCAJ-AWEZNQCLSA-N 0 0 347.367 2.359 10 10 EECERN C[C@@H](NC(=O)c1cc(C=O)n(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000930744150 1206579373 /nfs/dbraw/zinc/57/93/73/1206579373.db2.gz IURVNWZCBWDLKL-CQSZACIVSA-N 0 0 341.411 2.165 10 10 EECERN Cn1cc([C@H](NC(=O)NCc2c(O)cccc2F)C(F)(F)F)cn1 ZINC000931104038 1206607249 /nfs/dbraw/zinc/60/72/49/1206607249.db2.gz FNEXCKDQSKQADI-LBPRGKRZSA-N 0 0 346.284 2.368 10 10 EECERN C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1F ZINC000778625281 1208308237 /nfs/dbraw/zinc/30/82/37/1208308237.db2.gz SSECYGPIXIYQDS-YOEHRIQHSA-N 0 0 335.423 2.413 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@H]1COc2ccccc2O1 ZINC000779534087 1210423627 /nfs/dbraw/zinc/42/36/27/1210423627.db2.gz NKBHNPRGDVTZHS-QPBFKRLHSA-N 0 0 341.363 2.457 10 10 EECERN COCc1nnc(C[NH2+]Cc2cc(Br)cc(C)c2O)[n-]1 ZINC000827005690 1249099857 /nfs/dbraw/zinc/09/98/57/1249099857.db2.gz JBZZFVYMTZOFNG-UHFFFAOYSA-N 0 0 341.209 2.017 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C(\C)CN1CCOCC1 ZINC000900401626 1234318639 /nfs/dbraw/zinc/31/86/39/1234318639.db2.gz YJTCHWQEEWHCBM-SAPNQHFASA-N 0 0 345.487 2.380 10 10 EECERN C/C=C/[C@H](O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000900509817 1234428802 /nfs/dbraw/zinc/42/88/02/1234428802.db2.gz YVWLKBSIZOGFAA-FAAWYNLUSA-N 0 0 340.370 2.310 10 10 EECERN C[C@H](Sc1ncc(Cl)s1)C(=O)N(C)CC(=O)NC1CC1 ZINC000849998243 1276980921 /nfs/dbraw/zinc/98/09/21/1276980921.db2.gz CEEFCDNUFDGTSA-ZETCQYMHSA-N 0 0 333.866 2.014 10 10 EECERN CCCCOCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852022515 1291959066 /nfs/dbraw/zinc/95/90/66/1291959066.db2.gz QGZYOXATTRQMCV-OAHLLOKOSA-N 0 0 335.448 2.390 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C(C)=O)cn3C)C2)cc1 ZINC000853818871 1292469471 /nfs/dbraw/zinc/46/94/71/1292469471.db2.gz ZXWVYHRAJOQLKJ-HNNXBMFYSA-N 0 0 341.411 2.245 10 10 EECERN O=C(NCCCSc1nccs1)N[C@@H]1C[C@H](O)C12CCC2 ZINC000853857618 1292491059 /nfs/dbraw/zinc/49/10/59/1292491059.db2.gz HHMNETYAJJPUJW-MNOVXSKESA-N 0 0 327.475 2.228 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)CC3(O)CCCC3)C2)cc1 ZINC000854300544 1292711164 /nfs/dbraw/zinc/71/11/64/1292711164.db2.gz VLUXKHQDNHLMDJ-HNNXBMFYSA-N 0 0 347.459 2.220 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)CN1CCN(C2CC2)C1=O ZINC000854373309 1292753119 /nfs/dbraw/zinc/75/31/19/1292753119.db2.gz DLUSAFIYODADSB-UHFFFAOYSA-N 0 0 345.443 2.421 10 10 EECERN Cc1cc(CC(=O)N[C@@H]2C[C@H](C)OC2=O)c(C)n1-c1ccccc1 ZINC000854469676 1292795548 /nfs/dbraw/zinc/79/55/48/1292795548.db2.gz JZSUKMGUHDVZMI-SUMWQHHRSA-N 0 0 326.396 2.457 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(Cl)nc3N)C2)cc1 ZINC000855224412 1293116438 /nfs/dbraw/zinc/11/64/38/1293116438.db2.gz FXKZPMXTCWFPGC-NSHDSACASA-N 0 0 346.818 2.335 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3Cl)C2)cc1 ZINC000855226664 1293118942 /nfs/dbraw/zinc/11/89/42/1293118942.db2.gz PNOLHYQPBSSMOH-LLVKDONJSA-N 0 0 334.807 2.091 10 10 EECERN CCc1nnc(C)cc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227955 1293119960 /nfs/dbraw/zinc/11/99/60/1293119960.db2.gz SFNSDQWIFPYLTP-AWEZNQCLSA-N 0 0 340.427 2.365 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)cc(C)[nH]c3=O)C2)cc1 ZINC000855231426 1293121985 /nfs/dbraw/zinc/12/19/85/1293121985.db2.gz MHWXVDCFBVUDPJ-CQSZACIVSA-N 0 0 341.411 2.421 10 10 EECERN CO[C@]1(CO)CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000855442034 1293214171 /nfs/dbraw/zinc/21/41/71/1293214171.db2.gz OTFXRMNRLZVSLX-LJQANCHMSA-N 0 0 343.427 2.103 10 10 EECERN COc1ccc(N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)cc1F ZINC000857147504 1293734099 /nfs/dbraw/zinc/73/40/99/1293734099.db2.gz ODSSCHUXDXUSKM-UHFFFAOYSA-N 0 0 346.406 2.184 10 10 EECERN Cc1cc(CC(=O)N(C[C@@H](C)O)[C@H](C)CO)c(C)n1-c1ccccc1 ZINC000857188044 1293750541 /nfs/dbraw/zinc/75/05/41/1293750541.db2.gz KEOBLOFCBWIFBB-HZPDHXFCSA-N 0 0 344.455 2.227 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@@H]3CO[C@@H](C4CC4)C3)ccc21 ZINC000858912788 1294260386 /nfs/dbraw/zinc/26/03/86/1294260386.db2.gz ZVXAAPVUYLUWEQ-FUHWJXTLSA-N 0 0 329.444 2.436 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1COCCC1=O ZINC000862933004 1296026873 /nfs/dbraw/zinc/02/68/73/1296026873.db2.gz YJQSOPOADQREIR-MRXNPFEDSA-N 0 0 326.396 2.490 10 10 EECERN CCc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2O)cc1F ZINC000797388819 1304733316 /nfs/dbraw/zinc/73/33/16/1304733316.db2.gz AUGQTTKVWOOPRI-UHFFFAOYSA-N 0 0 346.358 2.357 10 10 EECERN CCON(C)C(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001118854095 1308952010 /nfs/dbraw/zinc/95/20/10/1308952010.db2.gz CSVIFMYXVCSTJN-UHFFFAOYSA-N 0 0 343.427 2.163 10 10 EECERN O=C(NCc1cccc(O)c1O)C1(c2ccc3c(c2)OCO3)CC1 ZINC001123978112 1310788517 /nfs/dbraw/zinc/78/85/17/1310788517.db2.gz QDQBAKIBHYRIFY-UHFFFAOYSA-N 0 0 327.336 2.175 10 10 EECERN COC(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001137788596 1314495012 /nfs/dbraw/zinc/49/50/12/1314495012.db2.gz OZPXZXATRQPHEJ-UHFFFAOYSA-N 0 0 327.300 2.283 10 10 EECERN CCc1nnc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840484823 1315369993 /nfs/dbraw/zinc/36/99/93/1315369993.db2.gz PZEWAAKZDYGCTJ-ZDUSSCGKSA-N 0 0 345.447 2.437 10 10 EECERN Cc1cc(O)c(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c(Cl)c1 ZINC000840948025 1315443294 /nfs/dbraw/zinc/44/32/94/1315443294.db2.gz JKPZZYWMWJCYEG-LBPRGKRZSA-N 0 0 346.880 2.210 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]CCCc2ncn(C)n2)c1 ZINC000842738795 1315765056 /nfs/dbraw/zinc/76/50/56/1315765056.db2.gz WKYYCPCITMXFBG-UHFFFAOYSA-N 0 0 339.237 2.314 10 10 EECERN CC(C)(C)C[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000843307348 1315887721 /nfs/dbraw/zinc/88/77/21/1315887721.db2.gz OYJLOPJHAUAORV-INIZCTEOSA-N 0 0 345.443 2.380 10 10 EECERN CC(C)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)N1CCCC1 ZINC001143259555 1315904778 /nfs/dbraw/zinc/90/47/78/1315904778.db2.gz SJWZPFCBHUVICJ-AWEZNQCLSA-N 0 0 345.403 2.226 10 10 EECERN COc1c(F)cc(C(=O)NCc2c(O)cccc2F)c(N)c1F ZINC001156178287 1317907656 /nfs/dbraw/zinc/90/76/56/1317907656.db2.gz YWRHGMAJKKZGGX-UHFFFAOYSA-N 0 0 326.274 2.330 10 10 EECERN O=C(NCc1c(O)cccc1O)c1nc(Br)ccc1F ZINC001156885599 1318263350 /nfs/dbraw/zinc/26/33/50/1318263350.db2.gz KXHMEUZUEFPHGK-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1c(O)cccc1O ZINC001156885522 1318263661 /nfs/dbraw/zinc/26/36/61/1318263661.db2.gz HZBIFGWOEDOLDE-GHMZBOCLSA-N 0 0 338.404 2.263 10 10 EECERN COC(=O)c1ccc(Cl)c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001299574049 1319527308 /nfs/dbraw/zinc/52/73/08/1319527308.db2.gz ONWYMICQVOBZAX-UHFFFAOYSA-N 0 0 335.743 2.468 10 10 EECERN CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001163565745 1321159177 /nfs/dbraw/zinc/15/91/77/1321159177.db2.gz AGDWBDOSQHEDNM-UHFFFAOYSA-N 0 0 342.355 2.167 10 10 EECERN COc1cccc(CNC(=O)c2cc3cc(F)ccc3[nH]c2=O)c1O ZINC001294938380 1329765788 /nfs/dbraw/zinc/76/57/88/1329765788.db2.gz ZXBRICVFOHZXSN-UHFFFAOYSA-N 0 0 342.326 2.311 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1=CCCC1 ZINC001295539061 1329819980 /nfs/dbraw/zinc/81/99/80/1329819980.db2.gz NWQXDUAYOQYEHW-LLVKDONJSA-N 0 0 343.387 2.194 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@H]1CC1(C)C ZINC001298759316 1330118302 /nfs/dbraw/zinc/11/83/02/1330118302.db2.gz YJQTXECVAQEWRM-GXFFZTMASA-N 0 0 345.403 2.130 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(O)cn3)C2)cc1 ZINC001299770404 1330167055 /nfs/dbraw/zinc/16/70/55/1330167055.db2.gz RGWZWOOWXITKQQ-CYBMUJFWSA-N 0 0 327.384 2.052 10 10 EECERN CC/C=C(\C)C(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001491619676 1330186455 /nfs/dbraw/zinc/18/64/55/1330186455.db2.gz LRLIKNGJGVADIO-CTZGQPLUSA-N 0 0 345.403 2.441 10 10 EECERN O=C(CSc1nnc2ccccn21)NCc1cccc(Cl)c1O ZINC001305083796 1331408830 /nfs/dbraw/zinc/40/88/30/1331408830.db2.gz DFXXRNADCZJPIW-UHFFFAOYSA-N 0 0 348.815 2.497 10 10 EECERN COC1CCN(c2ccc(C[N@@H+]3CC[C@H]4[C@@H](C3)[C@H]4C(=O)[O-])cc2)CC1 ZINC000903626500 1331608680 /nfs/dbraw/zinc/60/86/80/1331608680.db2.gz DHRMEWOJTPCAAR-OTWHNJEPSA-N 0 0 344.455 2.454 10 10 EECERN CC1(C)CC(NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC001328365739 1334450875 /nfs/dbraw/zinc/45/08/75/1334450875.db2.gz XQBAPVLAYPNJGS-UHFFFAOYSA-N 0 0 327.475 2.046 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001329225231 1334610578 /nfs/dbraw/zinc/61/05/78/1334610578.db2.gz GPRCZOWDOKJJIF-MUJYYYPQSA-N 0 0 330.428 2.436 10 10 EECERN C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1c1ccccc1 ZINC001329476510 1334658719 /nfs/dbraw/zinc/65/87/19/1334658719.db2.gz BMTUTGIAEPVZON-FZKQIMNGSA-N 0 0 336.391 2.454 10 10 EECERN CC(C)(CNC(=O)C(=O)N1Cc2cccc(O)c2C1)CC(F)F ZINC001331837952 1335654016 /nfs/dbraw/zinc/65/40/16/1335654016.db2.gz SGZQVSBBWOMUDG-UHFFFAOYSA-N 0 0 326.343 2.032 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C(C)(C)C ZINC001337825794 1336741225 /nfs/dbraw/zinc/74/12/25/1336741225.db2.gz DBIMRGYYSSYATB-XEHSLEBBSA-N 0 0 335.400 2.291 10 10 EECERN Cc1ccc(C(=O)NCc2cccc(O)c2O)cc1N1CCOCC1 ZINC001348046694 1337533740 /nfs/dbraw/zinc/53/37/40/1337533740.db2.gz IMVVPDBLDICBFW-UHFFFAOYSA-N 0 0 342.395 2.173 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cnc3c[nH]nc3c2)cc1 ZINC001300279032 1338253750 /nfs/dbraw/zinc/25/37/50/1338253750.db2.gz CSNLGJWERGZTHC-UHFFFAOYSA-N 0 0 339.399 2.175 10 10 EECERN CCO[C@H]1C[C@@](CO)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C ZINC001616470553 1352328850 /nfs/dbraw/zinc/32/88/50/1352328850.db2.gz FRRDNFYKOUOLTI-GUYCJALGSA-N 0 0 348.403 2.145 10 10 EECERN COc1ccc2c(O)c(C(=O)NCc3c(O)cccc3F)cnc2c1 ZINC001559037420 1342496179 /nfs/dbraw/zinc/49/61/79/1342496179.db2.gz WKOHUHSNBSAOOC-UHFFFAOYSA-N 0 0 342.326 2.311 10 10 EECERN CCn1cc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC001583334533 1344891236 /nfs/dbraw/zinc/89/12/36/1344891236.db2.gz LMMGHYYPPSHKLB-UHFFFAOYSA-N 0 0 348.834 2.323 10 10 EECERN Cc1cc(CNC(=O)c2ccn3nnnc3c2)c(C)n1-c1ccccc1 ZINC001596481334 1349907108 /nfs/dbraw/zinc/90/71/08/1349907108.db2.gz CHJYIWLSNRCLIE-UHFFFAOYSA-N 0 0 346.394 2.462 10 10 EECERN CC(=O)CC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC001596694782 1349910235 /nfs/dbraw/zinc/91/02/35/1349910235.db2.gz ICDAHIBGNDQRGF-UHFFFAOYSA-N 0 0 348.418 2.428 10 10 EECERN CC(C)c1nnc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1C ZINC001598440523 1349939279 /nfs/dbraw/zinc/93/92/79/1349939279.db2.gz JDNSIYZWJXFSEJ-UHFFFAOYSA-N 0 0 329.364 2.031 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC001625097799 1352440284 /nfs/dbraw/zinc/44/02/84/1352440284.db2.gz VPRHISXYDJLAKJ-BEFAXECRSA-N 0 0 345.370 2.062 10 10 EECERN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001625358070 1352447114 /nfs/dbraw/zinc/44/71/14/1352447114.db2.gz ZTNKPZYCAWLZQK-FFIJEWMLSA-N 0 0 346.408 2.039 10 10 EECERN COC(=O)c1cccc2c1CN(C(=O)c1cccc(O)c1O)CC2 ZINC001627380509 1352494194 /nfs/dbraw/zinc/49/41/94/1352494194.db2.gz AXQHFQWBEKGBCN-UHFFFAOYSA-N 0 0 327.336 2.083 10 10 EECERN C[C@H](NC(=O)CCC(=O)Nc1nnc(C2CC2)o1)c1ccccc1O ZINC001632250223 1352595221 /nfs/dbraw/zinc/59/52/21/1352595221.db2.gz NRRLBCSXMUOVPG-JTQLQIEISA-N 0 0 344.371 2.249 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC001633322794 1352609152 /nfs/dbraw/zinc/60/91/52/1352609152.db2.gz FETMUELQYLRFMZ-RIEGTJTDSA-N 0 0 325.455 2.136 10 10 EECERN CNC(=O)Nc1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001633818259 1352618171 /nfs/dbraw/zinc/61/81/71/1352618171.db2.gz GFLLQXAOFUNLDB-NSHDSACASA-N 0 0 343.383 2.210 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)OC(C)(C)C ZINC001635887630 1352654347 /nfs/dbraw/zinc/65/43/47/1352654347.db2.gz ZIKMCWGMRVDHEQ-SNVBAGLBSA-N 0 0 349.391 2.492 10 10 EECERN O=C(Cn1c(=O)cnc2ccccc21)NCc1cc(Cl)ccc1O ZINC001639965685 1352703490 /nfs/dbraw/zinc/70/34/90/1352703490.db2.gz OUGGDLGRLLKZRI-UHFFFAOYSA-N 0 0 343.770 2.072 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1n[nH]cc1C(N)=O ZINC001640629162 1352712866 /nfs/dbraw/zinc/71/28/66/1352712866.db2.gz GRWMIHICVFPUEQ-UHFFFAOYSA-N 0 0 337.383 2.477 10 10 EECERN CS(C)(=O)=Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001645366092 1352777138 /nfs/dbraw/zinc/77/71/38/1352777138.db2.gz KNMPMZLUHNIARG-UHFFFAOYSA-N 0 0 334.397 2.387 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](c3cnccn3)C2)cc1OC ZINC001651449478 1354053525 /nfs/dbraw/zinc/05/35/25/1354053525.db2.gz HLAVMXPSYBRBSM-LLVKDONJSA-N 0 0 330.344 2.396 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)Cc1ccon1 ZINC001675054103 1356929707 /nfs/dbraw/zinc/92/97/07/1356929707.db2.gz JJVZWCAEWYUDNT-NSHDSACASA-N 0 0 344.375 2.087 10 10 EECERN O=C(NCc1ccccc1O)N[C@@H]1CCc2ccccc2NC1=O ZINC001686924528 1358512662 /nfs/dbraw/zinc/51/26/62/1358512662.db2.gz FCOVEESGIOEXNZ-OAHLLOKOSA-N 0 0 325.368 2.145 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCN(C)C1=O ZINC001687080832 1358558816 /nfs/dbraw/zinc/55/88/16/1358558816.db2.gz JXVFXGCSCFYECE-KRWDZBQOSA-N 0 0 344.459 2.049 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H]1CCC[C@H]1O ZINC000840479023 782655151 /nfs/dbraw/zinc/65/51/51/782655151.db2.gz LGNGAMKCCHBIEJ-QILLFSRXSA-N 0 0 333.476 2.452 10 10 EECERN CCCCn1cc(S(=O)(=O)NCc2c(O)cccc2F)c(C)n1 ZINC000921451958 773382882 /nfs/dbraw/zinc/38/28/82/773382882.db2.gz ZOVZMSXGMBOIOV-UHFFFAOYSA-N 0 0 341.408 2.315 10 10 EECERN COc1cccc(CNC(=O)CNC(=O)c2ccc(C)c(C)c2)c1O ZINC000068488456 774595139 /nfs/dbraw/zinc/59/51/39/774595139.db2.gz ZDFHVKLWZUZQOL-UHFFFAOYSA-N 0 0 342.395 2.064 10 10 EECERN COC(=O)COc1ccc(N(C)CC(=O)Nc2ccccc2F)cc1 ZINC000183805274 781805959 /nfs/dbraw/zinc/80/59/59/781805959.db2.gz DNUHXIGGRMNFIN-UHFFFAOYSA-N 0 0 346.358 2.452 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3nc(C)ns3)C2)cc1 ZINC000818091835 785180172 /nfs/dbraw/zinc/18/01/72/785180172.db2.gz OYPYJBIYYPKJGY-LBPRGKRZSA-N 0 0 332.429 2.111 10 10 EECERN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000818362010 785256505 /nfs/dbraw/zinc/25/65/05/785256505.db2.gz NTDYCKZJBCMUBZ-KWQFWETISA-N 0 0 330.306 2.209 10 10 EECERN O=C(/C=C/[C@@H]1CCCO1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819332349 785510636 /nfs/dbraw/zinc/51/06/36/785510636.db2.gz BQZYNTUJHSLOAK-NBUZRDOWSA-N 0 0 348.418 2.138 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001146247630 791127751 /nfs/dbraw/zinc/12/77/51/791127751.db2.gz MSGXAQNEUPMXQE-HNNXBMFYSA-N 0 0 331.759 2.250 10 10 EECERN COC1(CS(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000820779707 786454307 /nfs/dbraw/zinc/45/43/07/786454307.db2.gz KHFHOWYAKMOXAW-UHFFFAOYSA-N 0 0 340.489 2.473 10 10 EECERN COc1ccc(N2CCN([C@H]3CCN(C(C)(C)C)C3=O)CC2)cc1F ZINC000822679904 787336026 /nfs/dbraw/zinc/33/60/26/787336026.db2.gz CILMFZDMEUYLFS-INIZCTEOSA-N 0 0 349.450 2.356 10 10 EECERN CO[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000822688865 787341218 /nfs/dbraw/zinc/34/12/18/787341218.db2.gz VYVWVKJUYAOHCJ-LSDHHAIUSA-N 0 0 336.407 2.094 10 10 EECERN CCc1nc[nH]c1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276387 787347156 /nfs/dbraw/zinc/34/71/56/787347156.db2.gz LXAIHYZLHSWFDB-ZDUSSCGKSA-N 0 0 328.416 2.237 10 10 EECERN COc1ccc(CNC(=O)Nc2ccn(C3CCOCC3)n2)c(O)c1 ZINC000825341768 788580456 /nfs/dbraw/zinc/58/04/56/788580456.db2.gz RQJHQBZXBZEHKP-UHFFFAOYSA-N 0 0 346.387 2.271 10 10 EECERN COc1ccc(N(C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1OC ZINC000929348813 788625581 /nfs/dbraw/zinc/62/55/81/788625581.db2.gz VUMDBIITSYYQLE-CYBMUJFWSA-N 0 0 336.432 2.166 10 10 EECERN CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000844909607 789480459 /nfs/dbraw/zinc/48/04/59/789480459.db2.gz HHASZEWARJXCBK-CRAIPNDOSA-N 0 0 349.475 2.120 10 10 EECERN C[C@@H](NC(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21)c1ccc(N(C)C)cc1 ZINC000845123294 789614322 /nfs/dbraw/zinc/61/43/22/789614322.db2.gz AQJFFAVUTZSTLZ-KBRIMQKVSA-N 0 0 347.459 2.401 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@]1(O)CCOC1 ZINC000845454104 789806668 /nfs/dbraw/zinc/80/66/68/789806668.db2.gz XLVCVQUYLZWKDO-LJQANCHMSA-N 0 0 349.475 2.214 10 10 EECERN C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000846192172 790085942 /nfs/dbraw/zinc/08/59/42/790085942.db2.gz FTGXLJYOSPMORI-OTYXRUKQSA-N 0 0 348.212 2.486 10 10 EECERN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cccc(O)c2O)cc1F ZINC001147675847 791906968 /nfs/dbraw/zinc/90/69/68/791906968.db2.gz GBDFWRRDVRZMPL-SECBINFHSA-N 0 0 349.314 2.430 10 10 EECERN COC[C@H](CC[NH2+]Cc1cc(Br)cc(F)c1[O-])OC ZINC000715827334 795538048 /nfs/dbraw/zinc/53/80/48/795538048.db2.gz KXMDSTWOVLCTIU-NSHDSACASA-N 0 0 336.201 2.435 10 10 EECERN CC1(C)OC(=O)c2c1cccc2C(=O)NCc1cccc(O)c1O ZINC001176575805 798503404 /nfs/dbraw/zinc/50/34/04/798503404.db2.gz BPQYGVQMKQUZBS-UHFFFAOYSA-N 0 0 327.336 2.433 10 10 EECERN C[C@@H](NC(=O)N1C[C@H](O)CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000786815250 806909996 /nfs/dbraw/zinc/90/99/96/806909996.db2.gz KREARLNABPMNRI-BXUZGUMPSA-N 0 0 327.375 2.225 10 10 EECERN COC(=O)[C@@H]1[C@H](CN2CCOc3cc(N(C)C)ccc32)C1(F)F ZINC000787778537 807232782 /nfs/dbraw/zinc/23/27/82/807232782.db2.gz WBFSONKVULOSQJ-FZMZJTMJSA-N 0 0 326.343 2.006 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000808526871 812695041 /nfs/dbraw/zinc/69/50/41/812695041.db2.gz XPYUONGKZRTIEU-UHFFFAOYSA-N 0 0 340.257 2.206 10 10 EECERN CC(=O)C(=O)COC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000808539389 812709344 /nfs/dbraw/zinc/70/93/44/812709344.db2.gz CEYRXYAZZWKDDP-UHFFFAOYSA-N 0 0 326.761 2.117 10 10 EECERN O=C(Cc1ccc2c(c1)OC(F)(F)O2)NCc1ccc(O)c(O)c1 ZINC001566359189 1125597066 /nfs/dbraw/zinc/59/70/66/1125597066.db2.gz VUPDQKMMAMVRER-UHFFFAOYSA-N 0 0 337.278 2.278 10 10 EECERN Cc1ccccc1-c1nc(CNC(=O)Cc2ccc(O)c(O)c2)no1 ZINC001445782891 1091649131 /nfs/dbraw/zinc/64/91/31/1091649131.db2.gz KKXZYEVGQBHDFS-UHFFFAOYSA-N 0 0 339.351 2.315 10 10 EECERN C[C@@]1(C(=O)NCc2ccc(O)cc2O)CC(c2ccccc2)=NO1 ZINC001451770095 1097915608 /nfs/dbraw/zinc/91/56/08/1097915608.db2.gz OUVVHLIJCWAYAJ-SFHVURJKSA-N 0 0 326.352 2.297 10 10 EECERN Cc1c(C(=O)NCc2ccc(O)cc2O)sc2nc(C)nc(N)c12 ZINC001451773826 1097920049 /nfs/dbraw/zinc/92/00/49/1097920049.db2.gz ZEXWHMGIIXJUON-UHFFFAOYSA-N 0 0 344.396 2.232 10 10 EECERN CCc1nnc([C@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)[nH]1 ZINC001466583072 1110438921 /nfs/dbraw/zinc/43/89/21/1110438921.db2.gz NVZHKXVURYOUSR-ZETCQYMHSA-N 0 0 332.385 2.484 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(OCC2CC2)cn1 ZINC001467839640 1110464826 /nfs/dbraw/zinc/46/48/26/1110464826.db2.gz CCMIEXHFZDKRGQ-UHFFFAOYSA-N 0 0 348.399 2.387 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccnc(F)c1 ZINC001469230778 1110487471 /nfs/dbraw/zinc/48/74/71/1110487471.db2.gz NQXVRSJYICCZMH-UHFFFAOYSA-N 0 0 332.331 2.132 10 10 EECERN Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001471194125 1110519004 /nfs/dbraw/zinc/51/90/04/1110519004.db2.gz DKSHUZHLPXGSMI-NSHDSACASA-N 0 0 325.372 2.111 10 10 EECERN COc1ccc(N2CCC(NC(=O)C3=C[S@@](=O)CCC3)CC2)cc1 ZINC001546188076 1110525899 /nfs/dbraw/zinc/52/58/99/1110525899.db2.gz LQSKUXPTONWOBY-DEOSSOPVSA-N 0 0 348.468 2.207 10 10 EECERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(O)ccc1O ZINC001471662273 1110527692 /nfs/dbraw/zinc/52/76/92/1110527692.db2.gz WYBCJAIOABKJBI-UHFFFAOYSA-N 0 0 332.312 2.335 10 10 EECERN COc1ccnc(OC)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001519265300 1119076463 /nfs/dbraw/zinc/07/64/63/1119076463.db2.gz GEWYOKMQFFBSEM-UHFFFAOYSA-N 0 0 333.363 2.234 10 10 EECERN C[C@H](O)C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001545523948 1124194620 /nfs/dbraw/zinc/19/46/20/1124194620.db2.gz BSDUUBCSBQUJBF-XJKSGUPXSA-N 0 0 329.396 2.311 10 10 EECERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N(C)C)cc1 ZINC000087252824 529750522 /nfs/dbraw/zinc/75/05/22/529750522.db2.gz WXFCDWOSVOHLCY-OAHLLOKOSA-N 0 0 342.447 2.241 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000378119349 529780030 /nfs/dbraw/zinc/78/00/30/529780030.db2.gz YLPOKHQNMPCIQW-CQSZACIVSA-N 0 0 327.432 2.175 10 10 EECERN COC(=O)C=C1NN(c2ccc(F)cc2)C([O-])=C1C(C)=[NH+]C1CC1 ZINC000101842228 219167041 /nfs/dbraw/zinc/16/70/41/219167041.db2.gz XOTUQZFSUMJZQT-MHWRWJLKSA-N 0 0 331.347 2.117 10 10 EECERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000191992158 237284538 /nfs/dbraw/zinc/28/45/38/237284538.db2.gz FQUMSXIOOGGUEY-GFCCVEGCSA-N 0 0 342.399 2.157 10 10 EECERN Nc1ccc(OCCNC(=O)c2ccc(Br)o2)cc1 ZINC000038079539 213200322 /nfs/dbraw/zinc/20/03/22/213200322.db2.gz MNSRBIKXIXMZFY-UHFFFAOYSA-N 0 0 325.162 2.433 10 10 EECERN Cc1c(S(=O)(=O)c2ccc(F)cc2)nnn1-c1ccc(N)cc1 ZINC000011730590 211241140 /nfs/dbraw/zinc/24/11/40/211241140.db2.gz NCEXAIZGKZFSAY-UHFFFAOYSA-N 0 0 332.360 2.130 10 10 EECERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000171486184 463872871 /nfs/dbraw/zinc/87/28/71/463872871.db2.gz YIOUIUYHNRSMIA-KRWDZBQOSA-N 0 0 325.412 2.445 10 10 EECERN COc1cc(Cl)cc(CN2CCO[C@]3(CCCOC3)C2)c1O ZINC000289575370 464086216 /nfs/dbraw/zinc/08/62/16/464086216.db2.gz STVWUMRKLLHAGZ-MRXNPFEDSA-N 0 0 327.808 2.436 10 10 EECERN COc1c(O)c(CN2CCOC[C@@H]2CC(F)F)ccc1[N+](=O)[O-] ZINC000289783423 464095656 /nfs/dbraw/zinc/09/56/56/464095656.db2.gz RSNRXIILXIIPFO-JTQLQIEISA-N 0 0 332.303 2.165 10 10 EECERN COC(=O)[C@H](CC(C)C)N(C)Cc1cc(OC)c(OC)cc1O ZINC000292835734 464358693 /nfs/dbraw/zinc/35/86/93/464358693.db2.gz RRSRNPPBBSETMH-ZDUSSCGKSA-N 0 0 325.405 2.429 10 10 EECERN COC(C)(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000264545090 464366962 /nfs/dbraw/zinc/36/69/62/464366962.db2.gz RZVGOQPLAGWXSK-STQMWFEESA-N 0 0 338.423 2.481 10 10 EECERN CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295372470 464806602 /nfs/dbraw/zinc/80/66/02/464806602.db2.gz OMIIPRFOGBUTFG-ZDUSSCGKSA-N 0 0 349.830 2.419 10 10 EECERN CC[C@@H](O)CN1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177194591 464954520 /nfs/dbraw/zinc/95/45/20/464954520.db2.gz LCFWUAGXLJULAI-OAHLLOKOSA-N 0 0 340.851 2.137 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCOC[C@H](C4CCC4)C3)cc2N1 ZINC000368303261 466595621 /nfs/dbraw/zinc/59/56/21/466595621.db2.gz CGZBTMINBDBVPN-GFCCVEGCSA-N 0 0 347.371 2.179 10 10 EECERN CCn1nc2c(cc1=O)CN(Cc1cc(Cl)cc(OC)c1O)CC2 ZINC000363905773 466650086 /nfs/dbraw/zinc/65/00/86/466650086.db2.gz FNEMIMDEWOTZOK-UHFFFAOYSA-N 0 0 349.818 2.189 10 10 EECERN COc1ccc(N(C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000121908466 533981960 /nfs/dbraw/zinc/98/19/60/533981960.db2.gz MHENUPXABAZACR-LBPRGKRZSA-N 0 0 346.880 2.456 10 10 EECERN NC(=O)c1ccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000726434234 576263483 /nfs/dbraw/zinc/26/34/83/576263483.db2.gz KJNLBJAIYYMSRS-UHFFFAOYSA-N 0 0 331.357 2.007 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)c2ccccc2C)c1 ZINC000728985062 576569970 /nfs/dbraw/zinc/56/99/70/576569970.db2.gz VNRICBDUAZGZLT-CYBMUJFWSA-N 0 0 342.395 2.316 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3n[nH]c(C)c3C)CC2)cc1 ZINC000734430326 577296127 /nfs/dbraw/zinc/29/61/27/577296127.db2.gz NUOVCCZLUOTRDD-UHFFFAOYSA-N 0 0 328.416 2.434 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)OCC(=O)c1ccc2c(c1)OCO2 ZINC000772769319 577296189 /nfs/dbraw/zinc/29/61/89/577296189.db2.gz NQJYTZXNFQWSNN-QHHAFSJGSA-N 0 0 342.303 2.266 10 10 EECERN Cc1cc(=O)[nH]cc1C(=O)NCc1cccc(Br)c1O ZINC000765752043 577506632 /nfs/dbraw/zinc/50/66/32/577506632.db2.gz DVFFOKURSHWZCO-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN CC[C@@]1(C2CC2)NC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1=O ZINC000758179283 577617700 /nfs/dbraw/zinc/61/77/00/577617700.db2.gz TZSNGJSRNIESFV-IBGZPJMESA-N 0 0 344.459 2.253 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cn(-c2ccccc2)nn1 ZINC000759588114 577646016 /nfs/dbraw/zinc/64/60/16/577646016.db2.gz IHLHGMDPGBSBIW-VQHVLOKHSA-N 0 0 337.335 2.435 10 10 EECERN CC=CC[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000761091866 577676403 /nfs/dbraw/zinc/67/64/03/577676403.db2.gz PCNKLVJXLOGHIN-FAAWYNLUSA-N 0 0 347.390 2.049 10 10 EECERN CN(C[C@H]1CC=CCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000753103532 577781656 /nfs/dbraw/zinc/78/16/56/577781656.db2.gz BMBSKQVCRPSPNB-LBPRGKRZSA-N 0 0 338.429 2.192 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](O)C1CCOCC1 ZINC000735876577 578171293 /nfs/dbraw/zinc/17/12/93/578171293.db2.gz ISCKPAGZAUTQFW-IBGZPJMESA-N 0 0 346.471 2.423 10 10 EECERN CO[C@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000848559262 678172130 /nfs/dbraw/zinc/17/21/30/678172130.db2.gz RFRQFSDLOIJDOW-SDBXPKJASA-N 0 0 336.201 2.342 10 10 EECERN COC(=O)c1cnc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000895229782 684312501 /nfs/dbraw/zinc/31/25/01/684312501.db2.gz XVOQEJDQMAOXLF-LBPRGKRZSA-N 0 0 347.440 2.307 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@](O)(C(F)(F)F)C2)cc1OC ZINC000191537237 684548789 /nfs/dbraw/zinc/54/87/89/684548789.db2.gz FOGYTCTWSSYWKI-GFCCVEGCSA-N 0 0 336.266 2.116 10 10 EECERN COC(=O)[C@H](C[C@@H]1CCCO1)NC/C=C/c1ccc(N(C)C)cc1 ZINC000895864420 684747501 /nfs/dbraw/zinc/74/75/01/684747501.db2.gz OEPWMOFCFAELGY-LWLUOKNMSA-N 0 0 332.444 2.466 10 10 EECERN CN(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000162593240 684773385 /nfs/dbraw/zinc/77/33/85/684773385.db2.gz HLKCMDJVXRTVFD-UHFFFAOYSA-N 0 0 341.795 2.254 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)n3cnc(C)c3)C2)cc1 ZINC000898580953 693382545 /nfs/dbraw/zinc/38/25/45/693382545.db2.gz QHHUIRREPPCHTQ-OAHLLOKOSA-N 0 0 342.443 2.330 10 10 EECERN C[C@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)c1ccccc1O ZINC001648891995 1176755285 /nfs/dbraw/zinc/75/52/85/1176755285.db2.gz KOISZXADFRTNPP-LBPRGKRZSA-N 0 0 345.374 2.208 10 10 EECERN C[C@@H](NC(=O)Cn1cnc(-c2ccccc2)cc1=O)c1ccccc1O ZINC001648892352 1176755572 /nfs/dbraw/zinc/75/55/72/1176755572.db2.gz WZDADTRGMIWAOR-CQSZACIVSA-N 0 0 349.390 2.493 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC(c3ccccn3)=NO2)cc1 ZINC000905448015 1189719752 /nfs/dbraw/zinc/71/97/52/1189719752.db2.gz LDZDEUBWDIFMDM-SFHVURJKSA-N 0 0 338.411 2.299 10 10 EECERN CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001626105300 1195580145 /nfs/dbraw/zinc/58/01/45/1195580145.db2.gz AVEMWRKTPNHJGD-ZDUSSCGKSA-N 0 0 332.360 2.407 10 10 EECERN CCN(CC)c1ccc(CN(C)S(=O)(=O)[C@@H]2CCO[C@H]2C)cc1 ZINC000785478523 1196768707 /nfs/dbraw/zinc/76/87/07/1196768707.db2.gz NRZZZUDEUPVTNC-WMLDXEAASA-N 0 0 340.489 2.472 10 10 EECERN COc1ccc(N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000865403065 1198197881 /nfs/dbraw/zinc/19/78/81/1198197881.db2.gz OAXRKQNMLKJSBW-UHFFFAOYSA-N 0 0 332.335 2.464 10 10 EECERN CC(C)N(C[C@H](C)O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000120783104 1198406823 /nfs/dbraw/zinc/40/68/23/1198406823.db2.gz JUKZNJJRRQXXOV-HOTGVXAUSA-N 0 0 349.475 2.385 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cnn2c1CCCC2 ZINC000865903945 1198419546 /nfs/dbraw/zinc/41/95/46/1198419546.db2.gz HUIPEHZURRRGJC-UHFFFAOYSA-N 0 0 326.444 2.453 10 10 EECERN CC[C@H]1CCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000813593567 1199102440 /nfs/dbraw/zinc/10/24/40/1199102440.db2.gz BSPQAHJQULLRBM-HOTGVXAUSA-N 0 0 344.459 2.082 10 10 EECERN COCC[C@H](COC)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000811958388 1200431457 /nfs/dbraw/zinc/43/14/57/1200431457.db2.gz ULQXKTUQFHXQMJ-CQSZACIVSA-N 0 0 336.432 2.122 10 10 EECERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871198031 1201096179 /nfs/dbraw/zinc/09/61/79/1201096179.db2.gz DYDVBKLWERGRSP-GOSISDBHSA-N 0 0 336.391 2.208 10 10 EECERN Cc1ccc(CNC(=O)NCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871199019 1201096193 /nfs/dbraw/zinc/09/61/93/1201096193.db2.gz RFBPDTOCCMUJOB-UHFFFAOYSA-N 0 0 339.395 2.042 10 10 EECERN CN1CCC(=O)Nc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc21 ZINC000871203242 1201098426 /nfs/dbraw/zinc/09/84/26/1201098426.db2.gz VHIRLWCXCAOESH-UHFFFAOYSA-N 0 0 337.379 2.327 10 10 EECERN CC1(c2ncc(C(=O)N3Cc4cccc(O)c4C3)s2)OCCO1 ZINC000871206255 1201099363 /nfs/dbraw/zinc/09/93/63/1201099363.db2.gz XJSKQGUZIZEQMC-UHFFFAOYSA-N 0 0 332.381 2.224 10 10 EECERN CN(C)c1ccc(CNC(=O)Cn2c3ccccc3sc2=O)cc1 ZINC000121182073 1201582168 /nfs/dbraw/zinc/58/21/68/1201582168.db2.gz KJKLPJSCPANJBK-UHFFFAOYSA-N 0 0 341.436 2.445 10 10 EECERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000868890147 1201899424 /nfs/dbraw/zinc/89/94/24/1201899424.db2.gz OZZMRKZZJSWLAQ-KBXCAEBGSA-N 0 0 331.460 2.119 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cc(C(F)F)ncn3)CC2)cc1 ZINC000929250396 1206459651 /nfs/dbraw/zinc/45/96/51/1206459651.db2.gz MESFMIGSQJNYOM-UHFFFAOYSA-N 0 0 348.353 2.385 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N[C@@H]1CC12CC(O)C2 ZINC000931783663 1207462373 /nfs/dbraw/zinc/46/23/73/1207462373.db2.gz JJHQXZCCMJYLMH-GBRVTDDUSA-N 0 0 349.394 2.431 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cnn(-c2cccc(Cl)c2)n1 ZINC000778918648 1208401281 /nfs/dbraw/zinc/40/12/81/1208401281.db2.gz MRCDETHDEGYBMZ-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN COC(=O)C(C)(C)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000779190216 1209269345 /nfs/dbraw/zinc/26/93/45/1209269345.db2.gz DHFWABUEKCGHGG-UHFFFAOYSA-N 0 0 326.824 2.115 10 10 EECERN C[C@@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000077777548 1209963943 /nfs/dbraw/zinc/96/39/43/1209963943.db2.gz SJUULBJCENDAPT-KBPBESRZSA-N 0 0 337.489 2.056 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1COc2ccccc2O1 ZINC000779491639 1210395959 /nfs/dbraw/zinc/39/59/59/1210395959.db2.gz RTOZHPORYLYQLU-FWPCIQOSSA-N 0 0 327.336 2.067 10 10 EECERN CCN(CC)C(=O)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779505893 1210402174 /nfs/dbraw/zinc/40/21/74/1210402174.db2.gz LIUZUUHDIWTJLV-SOFGYWHQSA-N 0 0 346.427 2.218 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccncc1N(C)C ZINC000801926237 1236449849 /nfs/dbraw/zinc/44/98/49/1236449849.db2.gz PIZJLXIRILEHMX-UHFFFAOYSA-N 0 0 327.432 2.266 10 10 EECERN CO[C@]1(CO)CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000826952112 1248226682 /nfs/dbraw/zinc/22/66/82/1248226682.db2.gz GRAGJDBZXPOYJT-CQSZACIVSA-N 0 0 330.222 2.128 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2COC[C@H]2C1 ZINC000852138635 1292008035 /nfs/dbraw/zinc/00/80/35/1292008035.db2.gz QGLKWZBRJFEABH-IAGOWNOFSA-N 0 0 327.428 2.241 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H](OC)C3(C)C)C2)cc1 ZINC000852179398 1292029199 /nfs/dbraw/zinc/02/91/99/1292029199.db2.gz FTPWJQFENXIBCC-RRQGHBQHSA-N 0 0 347.459 2.387 10 10 EECERN COCC1(CCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852393061 1292104552 /nfs/dbraw/zinc/10/45/52/1292104552.db2.gz RNOIJNHMYWZYIN-OAHLLOKOSA-N 0 0 347.459 2.390 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCCO[C@H]2CC2(F)F)c1 ZINC000852529530 1292127527 /nfs/dbraw/zinc/12/75/27/1292127527.db2.gz HUSZVHZYXSJORS-ZANVPECISA-N 0 0 330.331 2.185 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000854027097 1292586732 /nfs/dbraw/zinc/58/67/32/1292586732.db2.gz FFVGXCRQHOTMLM-BCDXTJNWSA-N 0 0 329.444 2.245 10 10 EECERN CCNC(=O)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854267428 1292696765 /nfs/dbraw/zinc/69/67/65/1292696765.db2.gz AIHADUWAHMVMLW-CQSZACIVSA-N 0 0 327.428 2.277 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](OC)CC3)C2)cc1 ZINC000854297374 1292709173 /nfs/dbraw/zinc/70/91/73/1292709173.db2.gz QXZRWVHULVSHAY-WBVHZDCISA-N 0 0 347.459 2.484 10 10 EECERN CC[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCO1 ZINC000854298230 1292710052 /nfs/dbraw/zinc/71/00/52/1292710052.db2.gz YOKWFQUIUYEOHA-RDJZCZTQSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(Cl)nn3)C2)cc1 ZINC000855223352 1293116484 /nfs/dbraw/zinc/11/64/84/1293116484.db2.gz FWUMPFPWGPLILW-NSHDSACASA-N 0 0 332.791 2.147 10 10 EECERN CCOc1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)on1 ZINC000855225390 1293117608 /nfs/dbraw/zinc/11/76/08/1293117608.db2.gz LALQOYXXPBJVBR-GFCCVEGCSA-N 0 0 331.372 2.091 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)/C=C\c3cncc(O)c3)C2)cc1 ZINC000855227865 1293119823 /nfs/dbraw/zinc/11/98/23/1293119823.db2.gz QQIZLKBOIATSEW-HPTQEQEDSA-N 0 0 339.395 2.204 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(O)c(F)c3)C2)cc1 ZINC000855227627 1293119925 /nfs/dbraw/zinc/11/99/25/1293119925.db2.gz ZBWZIHZCVUTNRK-AWEZNQCLSA-N 0 0 344.386 2.478 10 10 EECERN NC(=O)CC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCCC1 ZINC000856304603 1293479983 /nfs/dbraw/zinc/47/99/83/1293479983.db2.gz VOZCXYLRVQGRAZ-ALCCZGGFSA-N 0 0 332.400 2.053 10 10 EECERN COc1ccc(CNC(c2ccnn2C)c2ccnn2C)cc1C ZINC000858322383 1294082306 /nfs/dbraw/zinc/08/23/06/1294082306.db2.gz XGAZKWINRHUPIY-UHFFFAOYSA-N 0 0 325.416 2.350 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000862754481 1295951540 /nfs/dbraw/zinc/95/15/40/1295951540.db2.gz ZFJNMOMFHAVNBY-QWHCGFSZSA-N 0 0 347.333 2.301 10 10 EECERN COC(=O)N[C@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000691672750 1303786537 /nfs/dbraw/zinc/78/65/37/1303786537.db2.gz AMNACQAGGDQHCT-NSHDSACASA-N 0 0 329.194 2.085 10 10 EECERN COc1cc(NS(=O)(=O)N2CCc3ccccc3C2)ccc1O ZINC000797820216 1304845193 /nfs/dbraw/zinc/84/51/93/1304845193.db2.gz LVTULTVZLJJLKV-UHFFFAOYSA-N 0 0 334.397 2.116 10 10 EECERN COc1ccc(CNC(=O)c2csc(-c3ncc[nH]3)n2)c(O)c1 ZINC001139032781 1314691703 /nfs/dbraw/zinc/69/17/03/1314691703.db2.gz QFBUUGASXUJVBU-UHFFFAOYSA-N 0 0 330.369 2.177 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccn(C)c1=O ZINC000839917147 1315259178 /nfs/dbraw/zinc/25/91/78/1315259178.db2.gz AIEXUIJVNXRNAS-CQSZACIVSA-N 0 0 327.428 2.121 10 10 EECERN Cc1nc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccc(N)cc2)no1 ZINC000841114950 1315478976 /nfs/dbraw/zinc/47/89/76/1315478976.db2.gz OFJXQTYPTOWZDN-AWEZNQCLSA-N 0 0 343.387 2.043 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)[C@H]1Cc2ccccc2C(=O)O1 ZINC001142728446 1315717804 /nfs/dbraw/zinc/71/78/04/1315717804.db2.gz TZUGWGPZWQBIOE-MRXNPFEDSA-N 0 0 348.358 2.338 10 10 EECERN COc1ccc2[nH]cc(CC(=O)NCc3cccc(O)c3O)c2c1 ZINC001153791376 1316884657 /nfs/dbraw/zinc/88/46/57/1316884657.db2.gz BAASRPHIYKIMCJ-UHFFFAOYSA-N 0 0 326.352 2.447 10 10 EECERN CCS(=O)(=O)c1cccc(C(=O)NCc2c(O)cccc2F)c1 ZINC001156170296 1317904914 /nfs/dbraw/zinc/90/49/14/1317904914.db2.gz KKUSNHJLBZIUQN-UHFFFAOYSA-N 0 0 337.372 2.255 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001299571401 1319511565 /nfs/dbraw/zinc/51/15/65/1319511565.db2.gz VWSHBVFTSZGRAI-AWEZNQCLSA-N 0 0 344.367 2.002 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC001161337147 1320462381 /nfs/dbraw/zinc/46/23/81/1320462381.db2.gz WCYRWIRNAAZZOJ-OAHLLOKOSA-N 0 0 346.387 2.259 10 10 EECERN Cc1c(Br)cncc1C(=O)NCc1ccc(O)cc1O ZINC001162277910 1320803231 /nfs/dbraw/zinc/80/32/31/1320803231.db2.gz CZMBBDRBHOQUHV-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN COCCO[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001262119498 1322238494 /nfs/dbraw/zinc/23/84/94/1322238494.db2.gz AQOBFKBTTIXFJA-LLVKDONJSA-N 0 0 337.397 2.190 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)c1ccnc2[nH]c(=O)[nH]c21 ZINC001294868743 1329175669 /nfs/dbraw/zinc/17/56/69/1329175669.db2.gz HDYVRWFOFVMDET-UHFFFAOYSA-N 0 0 338.367 2.178 10 10 EECERN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)CNC(=O)C1CC1 ZINC001281470382 1325139897 /nfs/dbraw/zinc/13/98/97/1325139897.db2.gz DMRYQHONWXMLQR-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 ZINC001290015818 1328108520 /nfs/dbraw/zinc/10/85/20/1328108520.db2.gz MQYPWUCVMHZBGF-UHFFFAOYSA-N 0 0 339.311 2.432 10 10 EECERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2n[nH]cc2F)cc1 ZINC001292381485 1328389249 /nfs/dbraw/zinc/38/92/49/1328389249.db2.gz DPJAUCZRFQDMSE-HNNXBMFYSA-N 0 0 346.406 2.436 10 10 EECERN O=C(Cc1ccc(-n2ccnc2)cc1)NCCc1ccc(O)c(O)c1 ZINC001294914223 1329763557 /nfs/dbraw/zinc/76/35/57/1329763557.db2.gz XUISOUZUAPCAPQ-UHFFFAOYSA-N 0 0 337.379 2.185 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001298553895 1330099403 /nfs/dbraw/zinc/09/94/03/1330099403.db2.gz DQCOJTZSTFUACC-LBPRGKRZSA-N 0 0 346.349 2.031 10 10 EECERN Cc1cnn([C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)c1 ZINC001298745380 1330116910 /nfs/dbraw/zinc/11/69/10/1330116910.db2.gz CGKHZNPJQGZWOM-CQSZACIVSA-N 0 0 326.360 2.441 10 10 EECERN Nc1ccc(Br)cc1C(=O)NCc1cc(O)ccc1O ZINC001303228194 1331350423 /nfs/dbraw/zinc/35/04/23/1331350423.db2.gz RPVOTTUEUVAZKT-UHFFFAOYSA-N 0 0 337.173 2.373 10 10 EECERN CCOC(=O)[C@](C)(NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001303777834 1331365393 /nfs/dbraw/zinc/36/53/93/1331365393.db2.gz ITMIYUHIRKCLCV-GOSISDBHSA-N 0 0 329.352 2.306 10 10 EECERN CCC(C)(C)C(=O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000900998139 1331488787 /nfs/dbraw/zinc/48/87/87/1331488787.db2.gz LLGMHYUINKCCKI-UHFFFAOYSA-N 0 0 336.407 2.488 10 10 EECERN COc1ccc(N2CCC([NH2+]CC3(C(=O)[O-])CCOCC3)CC2)cc1 ZINC001326992062 1334198456 /nfs/dbraw/zinc/19/84/56/1334198456.db2.gz YERLFNYDSSTWOE-UHFFFAOYSA-N 0 0 348.443 2.135 10 10 EECERN CN1CCCc2cc(CNC(=O)N3C[C@H]4COC[C@@]4(C)C3)ccc21 ZINC001328024177 1334380657 /nfs/dbraw/zinc/38/06/57/1334380657.db2.gz NMFMZSTUNZIXIF-QFBILLFUSA-N 0 0 329.444 2.247 10 10 EECERN CCOc1ccc(N2CCN(C(=O)COCC(F)F)CC2)cc1 ZINC001331696497 1335059645 /nfs/dbraw/zinc/05/96/45/1335059645.db2.gz GRGTWFUKMMWYAL-UHFFFAOYSA-N 0 0 328.359 2.016 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCO[C@](C)(C(F)F)C2)cc1F ZINC001333723165 1336115383 /nfs/dbraw/zinc/11/53/83/1336115383.db2.gz VAYHNYPBMAMAOE-INIZCTEOSA-N 0 0 345.365 2.457 10 10 EECERN CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001333803163 1336136546 /nfs/dbraw/zinc/13/65/46/1336136546.db2.gz RNUJZSKKZFAHPN-GHMZBOCLSA-N 0 0 333.392 2.272 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC3(CC3)C2)cc1F ZINC001334732496 1336289770 /nfs/dbraw/zinc/28/97/70/1336289770.db2.gz HTYBPLZZPQOVKB-AWEZNQCLSA-N 0 0 347.434 2.347 10 10 EECERN COc1ccc(N2CC[C@H](N3C(=O)NC4(CCCC4)C3=O)C2)cc1 ZINC000849358502 1339154366 /nfs/dbraw/zinc/15/43/66/1339154366.db2.gz WYALIQDVAVQMRW-AWEZNQCLSA-N 0 0 329.400 2.139 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCC(c3nnc(N)o3)CC2)c1O ZINC001619451980 1352354933 /nfs/dbraw/zinc/35/49/33/1352354933.db2.gz JUTMWUCCAFGTSY-UHFFFAOYSA-N 0 0 334.351 2.079 10 10 EECERN Cc1cc(CC(=O)N2CCN(C)C(=O)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001435978154 1342005595 /nfs/dbraw/zinc/00/55/95/1342005595.db2.gz XFHLRRRHZQWLIY-INIZCTEOSA-N 0 0 339.439 2.326 10 10 EECERN Cc1ccc(C(=O)NCc2ccc(Br)cn2)c(O)c1O ZINC001557983819 1342461947 /nfs/dbraw/zinc/46/19/47/1342461947.db2.gz ZIPWJHRSVNBNLO-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1nc(-c2ccccc2)no1 ZINC001567426420 1342758685 /nfs/dbraw/zinc/75/86/85/1342758685.db2.gz BFJGBSKFGVFXTA-VQHVLOKHSA-N 0 0 337.335 2.477 10 10 EECERN CCN1CCOC[C@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001587886616 1348874429 /nfs/dbraw/zinc/87/44/29/1348874429.db2.gz RNBXFLUZEVONKN-IBGZPJMESA-N 0 0 341.455 2.431 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccn(-c2cccc(F)c2)n1 ZINC001593873593 1349873168 /nfs/dbraw/zinc/87/31/68/1349873168.db2.gz SRZKVTZZXPXDSK-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3ccc(NC)cn3)CC2)cc1 ZINC001596732716 1349911574 /nfs/dbraw/zinc/91/15/74/1349911574.db2.gz GKMLJJZGJAWONT-UHFFFAOYSA-N 0 0 340.427 2.484 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1Cn1cccn1 ZINC001624707811 1352427929 /nfs/dbraw/zinc/42/79/29/1352427929.db2.gz YPIRNCUYQUPWGV-UHFFFAOYSA-N 0 0 337.379 2.202 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cn2cc(F)ccc2n1 ZINC001624955264 1352435861 /nfs/dbraw/zinc/43/58/61/1352435861.db2.gz WCPMEQVOQUWECM-LLVKDONJSA-N 0 0 343.358 2.175 10 10 EECERN CCc1ccccc1NC(=O)CN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001629503054 1352554242 /nfs/dbraw/zinc/55/42/42/1352554242.db2.gz JAIXFOKMDIFRTN-UHFFFAOYSA-N 0 0 342.395 2.300 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cc2cc(F)ccc2[nH]c1=O ZINC001630335243 1352568221 /nfs/dbraw/zinc/56/82/21/1352568221.db2.gz NOOZITKWPUPKKE-UHFFFAOYSA-N 0 0 342.326 2.051 10 10 EECERN COC(=O)/C=C\c1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC001633817861 1352618553 /nfs/dbraw/zinc/61/85/53/1352618553.db2.gz BMDYTJOZJGOSCR-UIJKISKDSA-N 0 0 345.351 2.238 10 10 EECERN COc1ccccc1-c1nnc(CC(=O)NCc2ccccc2O)o1 ZINC001636057367 1352657210 /nfs/dbraw/zinc/65/72/10/1352657210.db2.gz AUHQQVZXHLMMDN-UHFFFAOYSA-N 0 0 339.351 2.310 10 10 EECERN COC1CCN(c2ccc(CN(C)Cc3nncn3C)cc2)CC1 ZINC001643288787 1352745059 /nfs/dbraw/zinc/74/50/59/1352745059.db2.gz HQDPGEVIMOSZMP-UHFFFAOYSA-N 0 0 329.448 2.062 10 10 EECERN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccnc(CO)c1 ZINC001643394171 1352747727 /nfs/dbraw/zinc/74/77/27/1352747727.db2.gz BAJWOGNJAKMJOS-UHFFFAOYSA-N 0 0 325.412 2.494 10 10 EECERN COC(=O)[C@@]1(C(=O)NCc2cc(O)ccc2O)C[C@@H]1c1ccccc1 ZINC001643884968 1352755272 /nfs/dbraw/zinc/75/52/72/1352755272.db2.gz DBXAHEMWMYWFCT-BEFAXECRSA-N 0 0 341.363 2.061 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)cc1 ZINC001648008263 1353413005 /nfs/dbraw/zinc/41/30/05/1353413005.db2.gz KOJTVGBEYJOITC-LSDHHAIUSA-N 0 0 346.387 2.259 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC001651584385 1354057293 /nfs/dbraw/zinc/05/72/93/1354057293.db2.gz OULQRWIMJHXWEN-CYBMUJFWSA-N 0 0 344.293 2.236 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3cc(C)ccc32)c1 ZINC000154692585 769044054 /nfs/dbraw/zinc/04/40/54/769044054.db2.gz VANNPLOJXUSLKG-GQCTYLIASA-N 0 0 337.379 2.188 10 10 EECERN C[C@@H]1Cc2cc(S(=O)(=O)NCc3c(O)cccc3F)ccc2O1 ZINC000921452119 773382478 /nfs/dbraw/zinc/38/24/78/773382478.db2.gz DSGITRGEDXWGBU-SNVBAGLBSA-N 0 0 337.372 2.333 10 10 EECERN COc1ccc(CNC(=O)[C@@H]2COC[C@H]2c2ccccc2)c(O)c1 ZINC000846948983 790769181 /nfs/dbraw/zinc/76/91/81/790769181.db2.gz FAZJIPPHYAXZJK-DLBZAZTESA-N 0 0 327.380 2.447 10 10 EECERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000906738158 784114363 /nfs/dbraw/zinc/11/43/63/784114363.db2.gz IEHTYTCDNIZIEI-MDASCCDHSA-N 0 0 346.471 2.183 10 10 EECERN C[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccnn1C ZINC000817429417 784782632 /nfs/dbraw/zinc/78/26/32/784782632.db2.gz RNBZXVFEGYDFMI-CABCVRRESA-N 0 0 342.443 2.238 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)/C=C/[C@@H]3CCCO3)C2)cc1 ZINC000819586488 785596205 /nfs/dbraw/zinc/59/62/05/785596205.db2.gz ABZGZKXTSJYXBC-LZMCZGSNSA-N 0 0 330.428 2.373 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nc(CC)oc1C ZINC000819697962 785646687 /nfs/dbraw/zinc/64/66/87/785646687.db2.gz GQYFWLOEDTZNMC-UHFFFAOYSA-N 0 0 346.383 2.457 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCN(C)C2=O)cc1 ZINC000822269254 787102188 /nfs/dbraw/zinc/10/21/88/787102188.db2.gz OJCCCFALDRXABV-KRWDZBQOSA-N 0 0 331.460 2.360 10 10 EECERN CC1CCN(c2ccc(CNC(=O)CCc3cnn(C)n3)cc2)CC1 ZINC000823195913 787614452 /nfs/dbraw/zinc/61/44/52/787614452.db2.gz OZDYGPSPRIUHLA-UHFFFAOYSA-N 0 0 341.459 2.300 10 10 EECERN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000911812057 787738920 /nfs/dbraw/zinc/73/89/20/787738920.db2.gz HNQGMQCTZYLSHO-YIZRAAEISA-N 0 0 334.397 2.050 10 10 EECERN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000824584042 788246969 /nfs/dbraw/zinc/24/69/69/788246969.db2.gz VRKDJSZQXRNOOX-CYBMUJFWSA-N 0 0 343.265 2.091 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N(C[C@@H](C)O)C(C)C)C2)cc1 ZINC000824685287 788274002 /nfs/dbraw/zinc/27/40/02/788274002.db2.gz CNURQERDVRGYLY-CVEARBPZSA-N 0 0 349.475 2.322 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000921519547 788816627 /nfs/dbraw/zinc/81/66/27/788816627.db2.gz MOWGRNPIPGNIJC-HNNXBMFYSA-N 0 0 349.406 2.264 10 10 EECERN COc1cccc(CNC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000074675848 788996020 /nfs/dbraw/zinc/99/60/20/788996020.db2.gz NSTDGYLTITWTPB-LLVKDONJSA-N 0 0 346.431 2.182 10 10 EECERN COc1ccnc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164197615 789110370 /nfs/dbraw/zinc/11/03/70/789110370.db2.gz SCHUQHSURCTNSQ-UHFFFAOYSA-N 0 0 328.416 2.130 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H](C1CC1)C1CCOCC1 ZINC000844735329 789361903 /nfs/dbraw/zinc/36/19/03/789361903.db2.gz GILHPPBJOHDRHI-SFHVURJKSA-N 0 0 344.411 2.362 10 10 EECERN Nc1ccc(CCNC(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000846172301 790071393 /nfs/dbraw/zinc/07/13/93/790071393.db2.gz KTGVPVMSZDSZEH-MSOLQXFVSA-N 0 0 340.427 2.426 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCN(c2ccccn2)C1 ZINC000921630003 790158214 /nfs/dbraw/zinc/15/82/14/790158214.db2.gz OMMFMGSCZMKBHD-GFCCVEGCSA-N 0 0 330.363 2.004 10 10 EECERN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cnn1 ZINC000786166287 806713777 /nfs/dbraw/zinc/71/37/77/806713777.db2.gz FWPFXGRVILRERP-AWEZNQCLSA-N 0 0 326.400 2.113 10 10 EECERN COCC[N@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCOC1 ZINC000787334152 807080131 /nfs/dbraw/zinc/08/01/31/807080131.db2.gz FFZMCWNTBDEPSP-GFCCVEGCSA-N 0 0 330.222 2.392 10 10 EECERN CCOCCN1CC(OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000789774158 808210314 /nfs/dbraw/zinc/21/03/14/808210314.db2.gz JAGUVNGVZNQHRZ-UHFFFAOYSA-N 0 0 343.427 2.367 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000793387836 810312168 /nfs/dbraw/zinc/31/21/68/810312168.db2.gz ASDKPXBOWKPWCT-AWEZNQCLSA-N 0 0 327.222 2.160 10 10 EECERN C[C@H](OCC(=O)NCc1c(O)ccc2c1CCCC2)c1nccn1C ZINC000806942776 812041369 /nfs/dbraw/zinc/04/13/69/812041369.db2.gz FPRUMULBWCPLDJ-ZDUSSCGKSA-N 0 0 343.427 2.399 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000808509690 812681366 /nfs/dbraw/zinc/68/13/66/812681366.db2.gz RSGCJVYPDIKJSF-UHFFFAOYSA-N 0 0 340.257 2.206 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2 ZINC000808516165 812686794 /nfs/dbraw/zinc/68/67/94/812686794.db2.gz CIWJMJRZRYPHMN-UHFFFAOYSA-N 0 0 340.379 2.374 10 10 EECERN CC(=O)C(=O)COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000808529365 812694369 /nfs/dbraw/zinc/69/43/69/812694369.db2.gz GIQCLCDGNMRGAQ-CQSZACIVSA-N 0 0 349.383 2.344 10 10 EECERN CCCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccccc1C ZINC000808541839 812711418 /nfs/dbraw/zinc/71/14/18/812711418.db2.gz TVYLSUOKWDXFCM-UHFFFAOYSA-N 0 0 328.368 2.448 10 10 EECERN CC(=O)C(=O)COC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000808549590 812717780 /nfs/dbraw/zinc/71/77/80/812717780.db2.gz IRXSXHHWVSLHJC-UHFFFAOYSA-N 0 0 343.148 2.321 10 10 EECERN Cc1nnnn1-c1ccc(C(=O)N(C)Cc2ccccc2O)c(F)c1 ZINC001445645400 1091435197 /nfs/dbraw/zinc/43/51/97/1091435197.db2.gz KFMGMSZQYZDIKG-UHFFFAOYSA-N 0 0 341.346 2.088 10 10 EECERN C[C@]1(c2ccccc2)CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 ZINC001445871735 1091796816 /nfs/dbraw/zinc/79/68/16/1091796816.db2.gz XGDVRIPYVXYAJL-LJQANCHMSA-N 0 0 327.380 2.415 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCn2ncnc21 ZINC001441190929 1094549528 /nfs/dbraw/zinc/54/95/28/1094549528.db2.gz WAQCRJPSFLOANC-MRXNPFEDSA-N 0 0 325.416 2.072 10 10 EECERN CC1(C)OC[C@H](/C=C\C(=O)NCCCSc2nccs2)O1 ZINC001443488688 1097985679 /nfs/dbraw/zinc/98/56/79/1097985679.db2.gz KFPMDMNEVIFXPT-WYGGZMRJSA-N 0 0 328.459 2.449 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(O)c1 ZINC001451905827 1098022693 /nfs/dbraw/zinc/02/26/93/1098022693.db2.gz RYYNTJWUDYHMMW-UHFFFAOYSA-N 0 0 329.352 2.303 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCNc2ccccn2)cc1 ZINC001444661995 1099500040 /nfs/dbraw/zinc/50/00/40/1099500040.db2.gz JTJTYJYIOGHBAW-UHFFFAOYSA-N 0 0 326.360 2.476 10 10 EECERN O=C(CCCCCO)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001444662827 1099500058 /nfs/dbraw/zinc/50/00/58/1099500058.db2.gz LMIYBFCYJUUNGU-UHFFFAOYSA-N 0 0 334.460 2.064 10 10 EECERN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001447408227 1102602630 /nfs/dbraw/zinc/60/26/30/1102602630.db2.gz LMRHDQKYNILHGA-VIFPVBQESA-N 0 0 346.265 2.073 10 10 EECERN CC[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H]1C ZINC001448027060 1103830095 /nfs/dbraw/zinc/83/00/95/1103830095.db2.gz SRZQDZUABRVAML-MNOVXSKESA-N 0 0 326.418 2.024 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCc2ccccc2NC1=O ZINC001452658986 1105625000 /nfs/dbraw/zinc/62/50/00/1105625000.db2.gz BHHGICHEKABWHN-WGPYJDKQSA-N 0 0 338.363 2.181 10 10 EECERN Cc1ccc(C(=O)Nc2cn(C)nc2Br)c(O)c1O ZINC001455346036 1108460833 /nfs/dbraw/zinc/46/08/33/1108460833.db2.gz FFBOZQAVJKQRGS-UHFFFAOYSA-N 0 0 326.150 2.155 10 10 EECERN COc1ncc(/C=C\C(=O)NCc2ccc3cccnc3c2O)cn1 ZINC001469248329 1110487716 /nfs/dbraw/zinc/48/77/16/1110487716.db2.gz GTPJNDACGOQKTG-DAXSKMNVSA-N 0 0 336.351 2.069 10 10 EECERN Cn1cc(C2=CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)cn1 ZINC001469996059 1110499717 /nfs/dbraw/zinc/49/97/17/1110499717.db2.gz LBOZMPKSQMKJTE-FNORWQNLSA-N 0 0 325.368 2.160 10 10 EECERN Cc1nnc(N2CCOC[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001511911600 1118316127 /nfs/dbraw/zinc/31/61/27/1118316127.db2.gz WTTUNHJAZNZZJD-GFCCVEGCSA-N 0 0 333.411 2.065 10 10 EECERN C[C@@H]1C[C@@H]1n1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O ZINC001512057410 1118381821 /nfs/dbraw/zinc/38/18/21/1118381821.db2.gz VKIBNLHOJFRQSX-XBFCOCLRSA-N 0 0 341.415 2.152 10 10 EECERN CN(C)c1nccc2c1CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC001520818452 1119196104 /nfs/dbraw/zinc/19/61/04/1119196104.db2.gz VHOXCGHJLJUDNC-GQCTYLIASA-N 0 0 339.395 2.157 10 10 EECERN O=C(COCc1cc[nH]c(=O)c1)Nc1c2nonc2ccc1Cl ZINC001525322610 1120303678 /nfs/dbraw/zinc/30/36/78/1120303678.db2.gz SJJGPDBFJQKNAK-UHFFFAOYSA-N 0 0 334.719 2.132 10 10 EECERN CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1CCO[C@@H](CC)C1 ZINC001540417213 1124082262 /nfs/dbraw/zinc/08/22/62/1124082262.db2.gz CIOHFWGCTIEUNN-ROUUACIJSA-N 0 0 333.476 2.258 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCn1cncn1 ZINC001540567523 1124086610 /nfs/dbraw/zinc/08/66/10/1124086610.db2.gz OWFOTCJMDHWAOT-UHFFFAOYSA-N 0 0 327.432 2.317 10 10 EECERN CNC(=O)c1cc(Cl)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001540821998 1124094064 /nfs/dbraw/zinc/09/40/64/1124094064.db2.gz GCGHPXIJDKPBGG-UHFFFAOYSA-N 0 0 334.759 2.292 10 10 EECERN CCCNC(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001543909532 1124136058 /nfs/dbraw/zinc/13/60/58/1124136058.db2.gz AJFIRFFEJUEVON-UHFFFAOYSA-N 0 0 328.368 2.419 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCC(=O)Nc2ccccn2)cc1 ZINC001544680784 1124163455 /nfs/dbraw/zinc/16/34/55/1124163455.db2.gz UWZKQNKMVNVOSY-UHFFFAOYSA-N 0 0 340.343 2.003 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCCc4occc4C3)cc2N1 ZINC000377178080 280267358 /nfs/dbraw/zinc/26/73/58/280267358.db2.gz HDHWGLFOUODPAY-UHFFFAOYSA-N 0 0 329.312 2.472 10 10 EECERN C[C@H](NC(=O)/C=C/c1ccc2c(c1)CCCN2C)c1nncn1C ZINC000061402174 462583387 /nfs/dbraw/zinc/58/33/87/462583387.db2.gz LGYVJYJLOQTANJ-XOVSCCBYSA-N 0 0 325.416 2.088 10 10 EECERN Cc1nc2ccccc2nc1NCc1ccc(N2CCNC(=O)C2)cc1 ZINC000042110568 463542974 /nfs/dbraw/zinc/54/29/74/463542974.db2.gz ASPINDQSXODANB-UHFFFAOYSA-N 0 0 347.422 2.487 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCO[C@@]3(CCOC3)C2)c1O ZINC000185214761 463779677 /nfs/dbraw/zinc/77/96/77/463779677.db2.gz XCRCPGJAIVTUDI-INIZCTEOSA-N 0 0 325.792 2.240 10 10 EECERN C[C@@H]1CN(c2ccc(CNC(=O)c3ccnnc3)cc2F)C[C@@H](C)O1 ZINC000270496655 464259059 /nfs/dbraw/zinc/25/90/59/464259059.db2.gz VSKIUDAMHRKJEU-CHWSQXEVSA-N 0 0 344.390 2.159 10 10 EECERN CC(C)(O)C(C)(C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000271371312 464296953 /nfs/dbraw/zinc/29/69/53/464296953.db2.gz RMNCWXPJPNRONR-JXMROGBWSA-N 0 0 332.444 2.202 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000282591193 464878123 /nfs/dbraw/zinc/87/81/23/464878123.db2.gz XBQMJDKZFLGJKD-UHFFFAOYSA-N 0 0 332.360 2.476 10 10 EECERN C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000191913775 534152107 /nfs/dbraw/zinc/15/21/07/534152107.db2.gz OZFIZMRWPCKXED-KXBFYZLASA-N 0 0 346.471 2.327 10 10 EECERN C[C@H](NC(=O)C1=CC(=O)CS1)c1cccc(NS(C)(=O)=O)c1 ZINC000731870242 577128860 /nfs/dbraw/zinc/12/88/60/577128860.db2.gz WICQVVAFOIINOH-VIFPVBQESA-N 0 0 340.426 2.316 10 10 EECERN CCOC(=O)[C@@H](CC1CC1)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775052402 577427951 /nfs/dbraw/zinc/42/79/51/577427951.db2.gz CDOPEBWLRAWIOH-GFCCVEGCSA-N 0 0 338.360 2.130 10 10 EECERN COC(=O)c1ccc(C(=O)NCc2cccc(OC)c2O)cc1F ZINC000769021692 577567503 /nfs/dbraw/zinc/56/75/03/577567503.db2.gz QJMSCDQXXFNURR-UHFFFAOYSA-N 0 0 333.315 2.257 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CC3CCC2CC3)c1 ZINC000770032355 577589259 /nfs/dbraw/zinc/58/92/59/577589259.db2.gz LDWCHAWNTPCTPZ-MGULZYLOSA-N 0 0 338.429 2.072 10 10 EECERN CCn1nccc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000770242847 577592972 /nfs/dbraw/zinc/59/29/72/577592972.db2.gz TZBHYPJCBSWCNH-UHFFFAOYSA-N 0 0 348.472 2.372 10 10 EECERN COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1cccc(O)c1 ZINC000759867246 577652555 /nfs/dbraw/zinc/65/25/55/577652555.db2.gz DIWVWKOVWPPWBP-INIZCTEOSA-N 0 0 347.342 2.443 10 10 EECERN C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)CN(C2CCC2)C1=O ZINC000761159473 577678101 /nfs/dbraw/zinc/67/81/01/577678101.db2.gz LGCUTWWOLASTJS-CQSZACIVSA-N 0 0 343.427 2.401 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@H]3CCOC[C@H]3C)CC2)cc1 ZINC000763629373 577723665 /nfs/dbraw/zinc/72/36/65/577723665.db2.gz WZAGUUZMAKMTIR-KDOFPFPSSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnc(N(C)C)nc2)c1 ZINC000752335572 577769320 /nfs/dbraw/zinc/76/93/20/577769320.db2.gz YGXCJVNZSQJOJJ-JTQLQIEISA-N 0 0 331.376 2.140 10 10 EECERN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(C)nc2)C1 ZINC000754375137 577805296 /nfs/dbraw/zinc/80/52/96/577805296.db2.gz HCGCAGZRZNNWFG-QZEKMECESA-N 0 0 335.407 2.497 10 10 EECERN O=C(NCCCNC(=O)C1CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896839724 685358848 /nfs/dbraw/zinc/35/88/48/685358848.db2.gz DIYSFCJUILWQAC-UHFFFAOYSA-N 0 0 348.424 2.349 10 10 EECERN CSC[C@@H]1NC(=O)N([C@@H](C)Cc2ccc(N(C)C)cc2C)C1=O ZINC000924941194 681760838 /nfs/dbraw/zinc/76/08/38/681760838.db2.gz MNADWDCJKWAYTR-WFASDCNBSA-N 0 0 335.473 2.275 10 10 EECERN NC(=O)C1CCN(c2ccc(CNC(=O)C(F)=C3CCC3)cc2)CC1 ZINC000894592551 682989409 /nfs/dbraw/zinc/98/94/09/682989409.db2.gz KLHKOGPSOQJASU-UHFFFAOYSA-N 0 0 345.418 2.412 10 10 EECERN CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596410 682990136 /nfs/dbraw/zinc/99/01/36/682990136.db2.gz YRYLLYWASIJXHU-MSOLQXFVSA-N 0 0 343.471 2.297 10 10 EECERN Cc1cc(C(=O)N(C)Cc2noc(C)n2)c(C)n1-c1ccccn1 ZINC000181032362 684087743 /nfs/dbraw/zinc/08/77/43/684087743.db2.gz UZAAXGXPEVJBHD-UHFFFAOYSA-N 0 0 325.372 2.453 10 10 EECERN COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(F)c(N(C)C)cc1F ZINC000895864390 684746941 /nfs/dbraw/zinc/74/69/41/684746941.db2.gz NVUFNQHBDJIYCH-SWLSCSKDSA-N 0 0 342.386 2.231 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000896964344 686014998 /nfs/dbraw/zinc/01/49/98/686014998.db2.gz BFCBHARTKRHJGY-GHMZBOCLSA-N 0 0 346.408 2.196 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000896964346 686015107 /nfs/dbraw/zinc/01/51/07/686015107.db2.gz BFCBHARTKRHJGY-MNOVXSKESA-N 0 0 346.408 2.196 10 10 EECERN O=C(N[C@H]1CCn2cncc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000898096931 691879642 /nfs/dbraw/zinc/87/96/42/691879642.db2.gz BAMPPXWQGXLFRA-JTQLQIEISA-N 0 0 329.381 2.254 10 10 EECERN C[C@H](CNC(=O)CC1CC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486783695 1194244959 /nfs/dbraw/zinc/24/49/59/1194244959.db2.gz RYQDRFVNBYTDEP-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)[C@]12CCC[C@H]1OCC2 ZINC000864983949 1198032184 /nfs/dbraw/zinc/03/21/84/1198032184.db2.gz AYHCPARXERIVBU-MJGOQNOKSA-N 0 0 330.428 2.099 10 10 EECERN CC(C)C[C@]1(C(=O)NCc2ccc3c(c2)CCCN3C)CCNC1=O ZINC000865052827 1198064482 /nfs/dbraw/zinc/06/44/82/1198064482.db2.gz GJZCJAZUTFMQJY-HXUWFJFHSA-N 0 0 343.471 2.238 10 10 EECERN CO[C@H](C(=O)NCc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C ZINC000865904547 1198419558 /nfs/dbraw/zinc/41/95/58/1198419558.db2.gz OORUJCMXRPYHMV-OAHLLOKOSA-N 0 0 336.432 2.034 10 10 EECERN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(CCF)CC3)cc2)C1 ZINC000810183514 1199337636 /nfs/dbraw/zinc/33/76/36/1199337636.db2.gz ZMEMVQHDPPGFJE-HNNXBMFYSA-N 0 0 347.434 2.144 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](CCOC)COC ZINC000812573838 1200782256 /nfs/dbraw/zinc/78/22/56/1200782256.db2.gz VBTSTEWCIVZWBK-MRXNPFEDSA-N 0 0 337.464 2.336 10 10 EECERN CC(=O)c1cc(F)cc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1O ZINC000879129487 1200878866 /nfs/dbraw/zinc/87/88/66/1200878866.db2.gz HKXUPUZBDBJNKF-QZTJIDSGSA-N 0 0 345.370 2.358 10 10 EECERN O=C(c1ccccc1)N1CC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871207337 1201100454 /nfs/dbraw/zinc/10/04/54/1201100454.db2.gz NMNYWHHXVMSNBK-MRXNPFEDSA-N 0 0 336.391 2.397 10 10 EECERN CCO[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000866762946 1201600402 /nfs/dbraw/zinc/60/04/02/1201600402.db2.gz AMKZBFXCUBWSSS-SJKOYZFVSA-N 0 0 337.416 2.410 10 10 EECERN O=S(=O)(CCOCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000867690169 1201660016 /nfs/dbraw/zinc/66/00/16/1201660016.db2.gz BKODNEPMAFYFLD-UHFFFAOYSA-N 0 0 333.409 2.254 10 10 EECERN C[C@@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000868119374 1201747541 /nfs/dbraw/zinc/74/75/41/1201747541.db2.gz PNJAAMDFSMEEAL-KGLIPLIRSA-N 0 0 341.415 2.211 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](CC2CCOCC2)C1=O ZINC000924673048 1206015639 /nfs/dbraw/zinc/01/56/39/1206015639.db2.gz UIVJUXWHUSUWPU-KRWDZBQOSA-N 0 0 345.443 2.298 10 10 EECERN CO[C@@H]1CCCN(NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000928408852 1206379698 /nfs/dbraw/zinc/37/96/98/1206379698.db2.gz IHTVIDHMSVTJNI-OAHLLOKOSA-N 0 0 328.416 2.245 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C[C@@H]2CCOC2)c1O ZINC000933671799 1207811224 /nfs/dbraw/zinc/81/12/24/1207811224.db2.gz QFVAJMJJHYUEAR-XJKSGUPXSA-N 0 0 337.391 2.361 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](C)OC)CC2)cc1 ZINC000188879607 1208870610 /nfs/dbraw/zinc/87/06/10/1208870610.db2.gz GNCAWSNGFUYCMN-KBPBESRZSA-N 0 0 335.448 2.387 10 10 EECERN COc1ccc(CNS(=O)(=O)c2ccc(F)cc2C)c(O)c1 ZINC000795357341 1212010785 /nfs/dbraw/zinc/01/07/85/1212010785.db2.gz NXJVPSPSQNQIHW-UHFFFAOYSA-N 0 0 325.361 2.327 10 10 EECERN COc1ccccc1[C@@H](O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000900732459 1234725726 /nfs/dbraw/zinc/72/57/26/1234725726.db2.gz LJTIETWZDOIOKU-GOSISDBHSA-N 0 0 328.412 2.419 10 10 EECERN CCOC(=O)C1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC000803120429 1239347033 /nfs/dbraw/zinc/34/70/33/1239347033.db2.gz ICVXZSCTNWTADN-AWEZNQCLSA-N 0 0 348.443 2.290 10 10 EECERN COC(=O)[C@@H](NCc1cc2c(cc1O)OCO2)c1cccc(OC)c1 ZINC000826985176 1248620401 /nfs/dbraw/zinc/62/04/01/1248620401.db2.gz CWJBCHGPUKCOQO-KRWDZBQOSA-N 0 0 345.351 2.133 10 10 EECERN C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850495437 1277247825 /nfs/dbraw/zinc/24/78/25/1277247825.db2.gz DIEVTVUPAKKRFY-ZCAPAMDOSA-N 0 0 340.323 2.262 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000851986721 1291943422 /nfs/dbraw/zinc/94/34/22/1291943422.db2.gz FSBLLGUJLVVFCB-SJORKVTESA-N 0 0 329.444 2.465 10 10 EECERN COCC[C@@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852380859 1292102439 /nfs/dbraw/zinc/10/24/39/1292102439.db2.gz SGKXUBOVUMMXDW-CABCVRRESA-N 0 0 335.448 2.246 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)OC(C)(C)C3)C2)cc1 ZINC000852454742 1292118773 /nfs/dbraw/zinc/11/87/73/1292118773.db2.gz QCBDYVIATMRQKW-GJZGRUSLSA-N 0 0 347.459 2.483 10 10 EECERN CCCCCN(CCO)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301980 1292712472 /nfs/dbraw/zinc/71/24/72/1292712472.db2.gz VOPUESULUCYOIL-MRXNPFEDSA-N 0 0 349.475 2.468 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc4n3CCCC4)C2)cc1 ZINC000855226065 1293118836 /nfs/dbraw/zinc/11/88/36/1293118836.db2.gz PXELSMJUCRCGMS-CQSZACIVSA-N 0 0 340.427 2.237 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3cnccc3C)C2)cc1 ZINC000855226824 1293118890 /nfs/dbraw/zinc/11/88/90/1293118890.db2.gz UPELVRGTIJAOJA-INIZCTEOSA-N 0 0 325.412 2.336 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3cccnc3)C2)cc1 ZINC000855229260 1293120959 /nfs/dbraw/zinc/12/09/59/1293120959.db2.gz LVEBIJLGRFGYIT-MRXNPFEDSA-N 0 0 325.412 2.418 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3nc(C)ncc3Cl)C2)cc1 ZINC000855230680 1293121058 /nfs/dbraw/zinc/12/10/58/1293121058.db2.gz HPFOGIYNMPCCQS-LBPRGKRZSA-N 0 0 346.818 2.456 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CC3(O)CCCCC3)C2)cc1 ZINC000855231672 1293122187 /nfs/dbraw/zinc/12/21/87/1293122187.db2.gz NFZVLJOLPJVQSZ-OAHLLOKOSA-N 0 0 332.444 2.475 10 10 EECERN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@](C)(C(F)F)O1 ZINC000856481937 1293542419 /nfs/dbraw/zinc/54/24/19/1293542419.db2.gz DWHHIZBNQRFYFO-VNQSWOMRSA-N 0 0 327.327 2.382 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@@H]3CO[C@H](C4CC4)C3)ccc21 ZINC000858912790 1294260649 /nfs/dbraw/zinc/26/06/49/1294260649.db2.gz ZVXAAPVUYLUWEQ-WMZOPIPTSA-N 0 0 329.444 2.436 10 10 EECERN CNc1cnc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000860346984 1294934674 /nfs/dbraw/zinc/93/46/74/1294934674.db2.gz LDKOQDLIWCEQRY-AWEZNQCLSA-N 0 0 342.399 2.045 10 10 EECERN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000862536739 1295869993 /nfs/dbraw/zinc/86/99/93/1295869993.db2.gz UAWITJZKMDDCGX-MRXNPFEDSA-N 0 0 347.846 2.431 10 10 EECERN Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC000862544080 1295872670 /nfs/dbraw/zinc/87/26/70/1295872670.db2.gz SIXKKQRZUKVCNL-WCQYABFASA-N 0 0 327.743 2.496 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1COCCN1C ZINC000862973941 1296053670 /nfs/dbraw/zinc/05/36/70/1296053670.db2.gz XICFKZSVIVKBKY-CQSZACIVSA-N 0 0 333.457 2.216 10 10 EECERN C[C@@H](NC(=O)NC[C@H]1CCC2(CCOCC2)O1)c1ccccc1O ZINC000927189000 1297058669 /nfs/dbraw/zinc/05/86/69/1297058669.db2.gz YJIGKYRGKXRARV-ZIAGYGMSSA-N 0 0 334.416 2.481 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]12C[C@H]1CCCC2 ZINC001119001402 1308970533 /nfs/dbraw/zinc/97/05/33/1308970533.db2.gz RXODISJNAZXHPW-BIENJYKASA-N 0 0 347.411 2.269 10 10 EECERN CN(C)C(=O)C1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001141072664 1315035995 /nfs/dbraw/zinc/03/59/95/1315035995.db2.gz HPPZEEFIHSIZGG-UHFFFAOYSA-N 0 0 345.403 2.370 10 10 EECERN COc1ccc(N2CCCN(CN3CC(F)(F)CC3=O)CC2)cc1 ZINC000841674329 1315593799 /nfs/dbraw/zinc/59/37/99/1315593799.db2.gz GEAUHNPCNRIZQB-UHFFFAOYSA-N 0 0 339.386 2.032 10 10 EECERN Nc1ccc(CCNC(=O)C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000842241353 1315678581 /nfs/dbraw/zinc/67/85/81/1315678581.db2.gz AJEKFNWWGNLSGR-FQEVSTJZSA-N 0 0 341.455 2.276 10 10 EECERN CC[C@H](C)C[C@@H](NCc1cc(OC)c(OC)cc1O)C(=O)OC ZINC000843416549 1315911479 /nfs/dbraw/zinc/91/14/79/1315911479.db2.gz UUYWTDIKTTXAJP-WCQYABFASA-N 0 0 325.405 2.477 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@]1(C)CCOC1=O ZINC001251619934 1317476992 /nfs/dbraw/zinc/47/69/92/1317476992.db2.gz YDEZMIUYMOPSKI-SFHVURJKSA-N 0 0 331.416 2.134 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H](O)c1ccccc1C(F)(F)F ZINC001156885521 1318263469 /nfs/dbraw/zinc/26/34/69/1318263469.db2.gz HYWRWFVKJHGBTI-CQSZACIVSA-N 0 0 341.285 2.466 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC001299574333 1319527573 /nfs/dbraw/zinc/52/75/73/1319527573.db2.gz PRLOLHXQFWMICA-HOCLYGCPSA-N 0 0 327.336 2.018 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001159269713 1319711149 /nfs/dbraw/zinc/71/11/49/1319711149.db2.gz ZKQCACPBFPSIJI-IYBDPMFKSA-N 0 0 338.407 2.235 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001159269709 1319711424 /nfs/dbraw/zinc/71/14/24/1319711424.db2.gz ZKQCACPBFPSIJI-HOTGVXAUSA-N 0 0 338.407 2.235 10 10 EECERN COc1nsc(OC)c1C(=O)NCc1ccc2cccnc2c1O ZINC001299725439 1321993949 /nfs/dbraw/zinc/99/39/49/1321993949.db2.gz MWLPRAPQBXVZAJ-UHFFFAOYSA-N 0 0 345.380 2.344 10 10 EECERN C/C=C(\C)C(=O)N[C@@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285066129 1326852028 /nfs/dbraw/zinc/85/20/28/1326852028.db2.gz IFAOVIFNLOWAIP-WLLYLJFWSA-N 0 0 345.403 2.440 10 10 EECERN CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[C@H]1C[C@H]1C ZINC001296321491 1329882172 /nfs/dbraw/zinc/88/21/72/1329882172.db2.gz TVISWNKRBSYRSM-RISCZKNCSA-N 0 0 345.403 2.083 10 10 EECERN C[C@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)c1ccccc1O ZINC001302532418 1331328709 /nfs/dbraw/zinc/32/87/09/1331328709.db2.gz BKNWATSWNKSIPC-LBPRGKRZSA-N 0 0 339.351 2.086 10 10 EECERN Cc1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc2c(c1)CCCN2C ZINC001304861996 1331401008 /nfs/dbraw/zinc/40/10/08/1331401008.db2.gz BEFJTUVZKZDMPX-AWEZNQCLSA-N 0 0 341.459 2.242 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1F ZINC001326235793 1334049265 /nfs/dbraw/zinc/04/92/65/1334049265.db2.gz KTCVEKKIAQSROU-QDMKHBRRSA-N 0 0 347.434 2.203 10 10 EECERN O=C(c1cccc(O)c1O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001326560576 1334115481 /nfs/dbraw/zinc/11/54/81/1334115481.db2.gz NRFIZVRGBVZKRO-KBXCAEBGSA-N 0 0 331.343 2.038 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@@H]2CNC(=O)c3ccccc32)cc1F ZINC001328740328 1334512275 /nfs/dbraw/zinc/51/22/75/1334512275.db2.gz JGVYZENVQKUNRD-OAHLLOKOSA-N 0 0 341.386 2.035 10 10 EECERN CC(C)(C)NC(=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001333736058 1336119303 /nfs/dbraw/zinc/11/93/03/1336119303.db2.gz PSNRANNPTQRWAX-UHFFFAOYSA-N 0 0 336.413 2.347 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001334413237 1336250487 /nfs/dbraw/zinc/25/04/87/1336250487.db2.gz BIHRHYOHQSMUKB-LQDVMPOASA-N 0 0 348.468 2.141 10 10 EECERN C[C@H](C[C@H](C)NC(=O)C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001339759109 1337068541 /nfs/dbraw/zinc/06/85/41/1337068541.db2.gz DAKDPLUQGLNIGB-WDEREUQCSA-N 0 0 345.403 2.272 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC3(C2)OCCO3)cc1 ZINC001611428090 1352300309 /nfs/dbraw/zinc/30/03/09/1352300309.db2.gz YVDQTVVHDQHLEQ-ZDUSSCGKSA-N 0 0 332.360 2.265 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2oc(=O)[nH]c21 ZINC001556158134 1342423327 /nfs/dbraw/zinc/42/33/27/1342423327.db2.gz SQEWJJFWGGCYHV-SECBINFHSA-N 0 0 328.324 2.306 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001558263870 1342471131 /nfs/dbraw/zinc/47/11/31/1342471131.db2.gz KNKMWGNKWHALLR-GWCFXTLKSA-N 0 0 333.306 2.257 10 10 EECERN Cc1cc(C(=O)NC[C@H](C)c2ncon2)c(C)n1-c1ccccn1 ZINC001558503835 1342479492 /nfs/dbraw/zinc/47/94/92/1342479492.db2.gz MLUKDFUKQDQTMB-NSHDSACASA-N 0 0 325.372 2.406 10 10 EECERN CSc1ncc(C(=O)NCc2c(O)ccc3c2CCCC3)c(=O)[nH]1 ZINC001622664320 1352387208 /nfs/dbraw/zinc/38/72/08/1352387208.db2.gz PIDYKMUIZWXXMF-UHFFFAOYSA-N 0 0 345.424 2.419 10 10 EECERN COc1cccc(CNC(=O)c2cc(C(F)(F)F)c[nH]c2=O)c1O ZINC001622779714 1352389078 /nfs/dbraw/zinc/38/90/78/1352389078.db2.gz TVZICRLDAFYRPA-UHFFFAOYSA-N 0 0 342.273 2.450 10 10 EECERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001628201057 1352525537 /nfs/dbraw/zinc/52/55/37/1352525537.db2.gz ASZIBYHCNVNYAG-QWRGUYRKSA-N 0 0 338.404 2.058 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)c2ccc(F)cc2)cc1 ZINC001629942766 1352561319 /nfs/dbraw/zinc/56/13/19/1352561319.db2.gz MVVPDTXBUPZUTD-ZDUSSCGKSA-N 0 0 344.346 2.494 10 10 EECERN O=C(NCCCSc1nccs1)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001632806816 1352602493 /nfs/dbraw/zinc/60/24/93/1352602493.db2.gz CTOWMPNPBFBZPB-UHFFFAOYSA-N 0 0 335.414 2.032 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC3(C2)OCCO3)cc1 ZINC001633671096 1352615928 /nfs/dbraw/zinc/61/59/28/1352615928.db2.gz DUTYADHAKGJWSQ-HNNXBMFYSA-N 0 0 333.432 2.190 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC001634210269 1352623770 /nfs/dbraw/zinc/62/37/70/1352623770.db2.gz JUPSGQUDNOFZPG-XHDPSFHLSA-N 0 0 347.333 2.240 10 10 EECERN O=Cc1cncc(C(=O)NCc2cccc(Br)c2O)c1 ZINC001634724454 1352634017 /nfs/dbraw/zinc/63/40/17/1352634017.db2.gz ARDSVLCUZBPMLL-UHFFFAOYSA-N 0 0 335.157 2.292 10 10 EECERN Cc1ccc(C(=O)N[C@H](CO)c2csc(C(C)C)n2)c(O)c1O ZINC001639388698 1352697861 /nfs/dbraw/zinc/69/78/61/1352697861.db2.gz HQPYGDDQZSTRJJ-LLVKDONJSA-N 0 0 336.413 2.450 10 10 EECERN CCc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1ccccn1 ZINC001651222467 1354045041 /nfs/dbraw/zinc/04/50/41/1354045041.db2.gz GZMKPWVUGQICGL-UHFFFAOYSA-N 0 0 338.367 2.171 10 10 EECERN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001652708751 1354099627 /nfs/dbraw/zinc/09/96/27/1354099627.db2.gz LHLQLGVOYKKTDD-UHFFFAOYSA-N 0 0 340.339 2.275 10 10 EECERN COC(=O)Cc1ccccc1CNC(=O)NCc1c(O)cccc1F ZINC001683438048 1358191216 /nfs/dbraw/zinc/19/12/16/1358191216.db2.gz QZWYIVABYHRCGW-UHFFFAOYSA-N 0 0 346.358 2.246 10 10 EECERN COc1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc(O)c1O)CCO2 ZINC001654473889 1354149319 /nfs/dbraw/zinc/14/93/19/1354149319.db2.gz XKFANSGKVKUBNS-LBPRGKRZSA-N 0 0 333.315 2.499 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCNC(=O)CCC2CC2)cc1 ZINC001686937635 1358515428 /nfs/dbraw/zinc/51/54/28/1358515428.db2.gz QYNBWRFMOFHACD-UHFFFAOYSA-N 0 0 345.403 2.275 10 10 EECERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001141833918 782463036 /nfs/dbraw/zinc/46/30/36/782463036.db2.gz VUQJOODUANTHAC-IUCAKERBSA-N 0 0 334.397 2.039 10 10 EECERN Cc1cc(CC(=O)N2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000846950277 790769335 /nfs/dbraw/zinc/76/93/35/790769335.db2.gz MMTFUPYNNQCMLV-HXUWFJFHSA-N 0 0 339.439 2.361 10 10 EECERN C[C@@H](NC(=O)c1ccc2c(n1)OCCO2)c1ccc(N(C)C)cc1 ZINC000846978617 790820631 /nfs/dbraw/zinc/82/06/31/790820631.db2.gz OXXLTRWLTQRTPG-GFCCVEGCSA-N 0 0 327.384 2.410 10 10 EECERN Cc1cc(Br)c(O)c(CN2CC3(C2)CN(C)C(=O)O3)c1 ZINC000817416090 784767325 /nfs/dbraw/zinc/76/73/25/784767325.db2.gz ZKFAWXSKKPVKFB-UHFFFAOYSA-N 0 0 341.205 2.100 10 10 EECERN CCC/C=C\[C@H](O)C(=O)NCc1cc(Br)ccc1O ZINC000908169881 785133490 /nfs/dbraw/zinc/13/34/90/785133490.db2.gz CFLQIIWHJQALPO-ZFDPJTLLSA-N 0 0 328.206 2.488 10 10 EECERN COc1ccc(N2CCCN(C(=O)/C=C/[C@H]3CCCO3)CC2)cc1 ZINC000819142663 785419945 /nfs/dbraw/zinc/41/99/45/785419945.db2.gz PEXJGCDETFVECP-QZEKMECESA-N 0 0 330.428 2.469 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(cn2)OCCO3)c1 ZINC000819397698 785529657 /nfs/dbraw/zinc/52/96/57/785529657.db2.gz DSBKEAMZSPLGCN-SNVBAGLBSA-N 0 0 330.340 2.058 10 10 EECERN Cc1c(F)ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1N ZINC001136397110 786532205 /nfs/dbraw/zinc/53/22/05/786532205.db2.gz UNSSEUFBQNBVKF-UHFFFAOYSA-N 0 0 343.402 2.483 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)cc1 ZINC000911277966 787348465 /nfs/dbraw/zinc/34/84/65/787348465.db2.gz ZBGNQYXIEWXZRS-KYNGSXCRSA-N 0 0 344.455 2.453 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N(C[C@H](C)O)C(C)C)C2)cc1 ZINC000824685288 788273807 /nfs/dbraw/zinc/27/38/07/788273807.db2.gz CNURQERDVRGYLY-HOTGVXAUSA-N 0 0 349.475 2.322 10 10 EECERN O=C(c1cn2c(n1)CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843835845 788684112 /nfs/dbraw/zinc/68/41/12/788684112.db2.gz LNVDNHNZQFFGGZ-OAHLLOKOSA-N 0 0 341.411 2.356 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@]1(O)CCOC1 ZINC000845454103 789806649 /nfs/dbraw/zinc/80/66/49/789806649.db2.gz XLVCVQUYLZWKDO-IBGZPJMESA-N 0 0 349.475 2.214 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000846558442 790251938 /nfs/dbraw/zinc/25/19/38/790251938.db2.gz GHHNJPPZDADPJQ-QQMNAOGKSA-N 0 0 328.437 2.440 10 10 EECERN CNC(=O)CCN(C)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000171670859 791438881 /nfs/dbraw/zinc/43/88/81/791438881.db2.gz NCZXGILHJLVZPR-UHFFFAOYSA-N 0 0 345.418 2.484 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cnn(C2CCC2)c1 ZINC000914120272 794927262 /nfs/dbraw/zinc/92/72/62/794927262.db2.gz ZUKZDJSPKBKOBV-UHFFFAOYSA-N 0 0 348.472 2.461 10 10 EECERN O=S(=O)(CC1(F)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000914138575 794976442 /nfs/dbraw/zinc/97/64/42/794976442.db2.gz ZCZMMCSZPIUSJJ-AWEZNQCLSA-N 0 0 343.420 2.205 10 10 EECERN CN(CCNC(=O)NCc1c(O)cccc1F)C(=O)OC(C)(C)C ZINC000916748026 797880021 /nfs/dbraw/zinc/88/00/21/797880021.db2.gz WWGJVELJVRRYOM-UHFFFAOYSA-N 0 0 341.383 2.197 10 10 EECERN Cc1cc(=O)c(C(=O)N2Cc3cccc(O)c3C2)nn1-c1ccccc1 ZINC001175029343 797970264 /nfs/dbraw/zinc/97/02/64/797970264.db2.gz BPURCAPCMQALNF-UHFFFAOYSA-N 0 0 347.374 2.403 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000922431282 801040358 /nfs/dbraw/zinc/04/03/58/801040358.db2.gz HPYPDHONNXISSS-BJOHPYRUSA-N 0 0 346.408 2.053 10 10 EECERN COc1ccc(CNC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c(O)c1 ZINC000792961165 810090215 /nfs/dbraw/zinc/09/02/15/810090215.db2.gz RWHWLNWTPPSBBE-NSHDSACASA-N 0 0 346.431 2.182 10 10 EECERN CO[C@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000806542706 811900681 /nfs/dbraw/zinc/90/06/81/811900681.db2.gz WVQYCORUUJDIFL-OLMNPRSZSA-N 0 0 347.459 2.403 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)CO[C@@H](C)c2nccn2C)c1 ZINC000806793502 811992195 /nfs/dbraw/zinc/99/21/95/811992195.db2.gz RPPXYQXXEBDPQA-NEPJUHHUSA-N 0 0 333.388 2.089 10 10 EECERN O=C(NCCCSc1nccs1)C1CN(CC(F)(F)F)C1 ZINC000806851851 812010190 /nfs/dbraw/zinc/01/01/90/812010190.db2.gz ZMMRAXWJZRJLAX-UHFFFAOYSA-N 0 0 339.408 2.236 10 10 EECERN CCCc1c(C(=O)OCC(=O)C(C)=O)nnn1-c1cccc(Cl)c1 ZINC000808516273 812686610 /nfs/dbraw/zinc/68/66/10/812686610.db2.gz GPDJPFZZPGYROH-UHFFFAOYSA-N 0 0 349.774 2.188 10 10 EECERN CC(=O)C(=O)COC(=O)CCc1cc(F)ccc1Br ZINC000808536606 812709139 /nfs/dbraw/zinc/70/91/39/812709139.db2.gz VKFQGEIHDUFVCE-UHFFFAOYSA-N 0 0 331.137 2.222 10 10 EECERN O=C(NCc1ccccc1O)c1cnc2cc(F)c(F)cc2c1O ZINC001566373982 1125598436 /nfs/dbraw/zinc/59/84/36/1125598436.db2.gz OYAYENFHQLSSDQ-UHFFFAOYSA-N 0 0 330.290 2.442 10 10 EECERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCc1ccccc1O ZINC001445970850 1091926222 /nfs/dbraw/zinc/92/62/22/1091926222.db2.gz LTUSQIDLJGDBAN-UHFFFAOYSA-N 0 0 347.302 2.328 10 10 EECERN CCc1nc(-c2ccc(C(=O)NCc3ccc(O)cc3O)cc2)n[nH]1 ZINC001451772288 1097918601 /nfs/dbraw/zinc/91/86/01/1097918601.db2.gz VFXNSWXUCHMDFY-UHFFFAOYSA-N 0 0 338.367 2.375 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc([S@](C)=O)cc1 ZINC001447301035 1102404339 /nfs/dbraw/zinc/40/43/39/1102404339.db2.gz IEODNKVMNKYXAG-BGJPBQGDSA-N 0 0 333.409 2.255 10 10 EECERN CCC(=O)NCCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001493031068 1107346585 /nfs/dbraw/zinc/34/65/85/1107346585.db2.gz OYVJPGPUNZJYIE-UHFFFAOYSA-N 0 0 345.403 2.370 10 10 EECERN O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cccc(O)c1O ZINC001464636677 1110399300 /nfs/dbraw/zinc/39/93/00/1110399300.db2.gz IPSQJMZEVKGPMJ-AWEZNQCLSA-N 0 0 340.379 2.132 10 10 EECERN CN(C)c1nccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001466423500 1110435243 /nfs/dbraw/zinc/43/52/43/1110435243.db2.gz UJYNDKXZSXFSNU-UHFFFAOYSA-N 0 0 344.396 2.099 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cnn(-c2ccncc2)c1 ZINC001469248318 1110487680 /nfs/dbraw/zinc/48/76/80/1110487680.db2.gz GGHGILOQUIQZEC-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CO)nc1 ZINC001469302046 1110488664 /nfs/dbraw/zinc/48/86/64/1110488664.db2.gz GNYNXRMAMUBFOZ-UHFFFAOYSA-N 0 0 325.412 2.494 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccn(CCc2ccccc2)n1 ZINC001471661635 1110527784 /nfs/dbraw/zinc/52/77/84/1110527784.db2.gz WBWLHDCOLGVRNM-UHFFFAOYSA-N 0 0 337.379 2.467 10 10 EECERN Cn1c(CC(=O)NCc2c(O)cccc2F)nnc1-c1ccccc1 ZINC001471975861 1110536981 /nfs/dbraw/zinc/53/69/81/1110536981.db2.gz KIRYRJNJSKMMOT-UHFFFAOYSA-N 0 0 340.358 2.186 10 10 EECERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1c(O)cccc1O ZINC001472063971 1110540729 /nfs/dbraw/zinc/54/07/29/1110540729.db2.gz QJULFBLUWNMTSI-UHFFFAOYSA-N 0 0 341.323 2.346 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn2c1NC[C@@H](C)C2 ZINC001520169655 1119133297 /nfs/dbraw/zinc/13/32/97/1119133297.db2.gz SEJLCQALCFREKW-LLVKDONJSA-N 0 0 335.404 2.066 10 10 EECERN CC(=O)NC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 ZINC001536688628 1123774675 /nfs/dbraw/zinc/77/46/75/1123774675.db2.gz AQUBCBMLUKYRPF-OAHLLOKOSA-N 0 0 345.403 2.274 10 10 EECERN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000193127706 237372390 /nfs/dbraw/zinc/37/23/90/237372390.db2.gz GXYDSWUJZFUNMN-CYBMUJFWSA-N 0 0 342.399 2.393 10 10 EECERN CN(CC(=O)N1CCCC1)C(=O)/C=C\c1ccc2c(c1)CCCN2C ZINC000096314489 463235191 /nfs/dbraw/zinc/23/51/91/463235191.db2.gz VNWWGMJYBIUTKH-NTMALXAHSA-N 0 0 341.455 2.163 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCOC[C@H]2CC(F)F)cc1F ZINC000287089252 463795536 /nfs/dbraw/zinc/79/55/36/463795536.db2.gz CVONLENIFLGHOC-GFCCVEGCSA-N 0 0 345.365 2.457 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC2CCC(C)(C)CC2)cc1 ZINC000283356129 463857430 /nfs/dbraw/zinc/85/74/30/463857430.db2.gz DZMUPSXWPHLYQL-UHFFFAOYSA-N 0 0 331.460 2.454 10 10 EECERN C[C@H]1COCC[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277207169 463906107 /nfs/dbraw/zinc/90/61/07/463906107.db2.gz JYVNPQGCXDQEJC-GXFFZTMASA-N 0 0 338.791 2.235 10 10 EECERN O=C(NCc1cccc(Br)c1O)N[C@H]1CCCOC1 ZINC000277362197 463914335 /nfs/dbraw/zinc/91/43/35/463914335.db2.gz HCDFKAXTRJEBJX-JTQLQIEISA-N 0 0 329.194 2.133 10 10 EECERN CCO[C@@H]1C[C@@]2(NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1(C)C ZINC000277560705 463920373 /nfs/dbraw/zinc/92/03/73/463920373.db2.gz XDRIAZGYNHLJMD-BEFAXECRSA-N 0 0 345.443 2.378 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1F ZINC000171760347 463921994 /nfs/dbraw/zinc/92/19/94/463921994.db2.gz TZNHVFHDLDXORZ-AEFFLSMTSA-N 0 0 343.402 2.349 10 10 EECERN Cc1ccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(O)c1O ZINC000277723835 463929448 /nfs/dbraw/zinc/92/94/48/463929448.db2.gz YLLLUHIXCSBQLD-RNCFNFMXSA-N 0 0 333.306 2.182 10 10 EECERN CN(C)c1ccc(CNC(=O)NCC2(CO)CC3(CCC3)C2)cc1 ZINC000278881693 464005516 /nfs/dbraw/zinc/00/55/16/464005516.db2.gz OSBBGJCYRYCGMJ-UHFFFAOYSA-N 0 0 331.460 2.495 10 10 EECERN Cc1cc(C(=O)N2CC[C@H](NC(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000270606575 464262379 /nfs/dbraw/zinc/26/23/79/464262379.db2.gz HQACCQIYDLUAKI-HNNXBMFYSA-N 0 0 340.427 2.285 10 10 EECERN CCOc1cccc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000248948661 464822602 /nfs/dbraw/zinc/82/26/02/464822602.db2.gz JQPWPSZZUKXUKK-KBPBESRZSA-N 0 0 333.388 2.444 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]34)ccc21 ZINC000251901648 464947291 /nfs/dbraw/zinc/94/72/91/464947291.db2.gz RAAXVVQEXXMDSD-JZXOWHBKSA-N 0 0 329.444 2.436 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000372265958 466258285 /nfs/dbraw/zinc/25/82/85/466258285.db2.gz CUDNDYLNOAYCPL-LERPRCHQSA-N 0 0 332.356 2.396 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000365978106 467009784 /nfs/dbraw/zinc/00/97/84/467009784.db2.gz UJVCUKFFSRIISR-OPQSBORISA-N 0 0 332.356 2.132 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cn2c(n1)CCCC2 ZINC000651415981 471164013 /nfs/dbraw/zinc/16/40/13/471164013.db2.gz SDPBVMOOKXBJEM-UHFFFAOYSA-N 0 0 340.427 2.254 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000121964525 533719298 /nfs/dbraw/zinc/71/92/98/533719298.db2.gz STCJUFVMXLQOJP-OAHLLOKOSA-N 0 0 346.452 2.353 10 10 EECERN COc1ccc(N2CCN(Cc3nnc(C(C)C)n3C)CC2)cc1F ZINC000122114446 534015488 /nfs/dbraw/zinc/01/54/88/534015488.db2.gz IVGFAKYWSLFZEZ-UHFFFAOYSA-N 0 0 347.438 2.408 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cn(C)nc1C1CC1 ZINC000292152437 534143028 /nfs/dbraw/zinc/14/30/28/534143028.db2.gz XEVZXPPFWDDKKS-SNVBAGLBSA-N 0 0 330.388 2.461 10 10 EECERN C[C@H](NC(=O)[C@@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000766483212 577520374 /nfs/dbraw/zinc/52/03/74/577520374.db2.gz DUUZNRAGCGGKCD-RVKKMQEKSA-N 0 0 332.444 2.373 10 10 EECERN COc1cc(Cl)cc(CN2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000761207047 577679094 /nfs/dbraw/zinc/67/90/94/577679094.db2.gz XFALXJLXLPTUTJ-LBPRGKRZSA-N 0 0 326.780 2.081 10 10 EECERN O=C(NCc1ccccc1O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000748345288 577959641 /nfs/dbraw/zinc/95/96/41/577959641.db2.gz CRRBPPPOLDSYGQ-OAHLLOKOSA-N 0 0 342.420 2.224 10 10 EECERN Cc1cc(CCNS(=O)(=O)c2c[nH]cn2)c(C)n1-c1ccccc1 ZINC000736624937 578215369 /nfs/dbraw/zinc/21/53/69/578215369.db2.gz AXWUMLZVTGOYBE-UHFFFAOYSA-N 0 0 344.440 2.338 10 10 EECERN C[C@H]1COCC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738766 675611516 /nfs/dbraw/zinc/61/15/16/675611516.db2.gz CXVQHCOJSNCYJV-CABZTGNLSA-N 0 0 328.206 2.444 10 10 EECERN COC(=O)c1c(CN(C)Cc2ncc[nH]2)c2cc(F)ccc2n1C ZINC000894587239 682982127 /nfs/dbraw/zinc/98/21/27/682982127.db2.gz WOBDCTYCAOSTRR-UHFFFAOYSA-N 0 0 330.363 2.459 10 10 EECERN C[C@H](NC(=O)N1CCC(=O)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000914400492 683559766 /nfs/dbraw/zinc/55/97/66/683559766.db2.gz MMSMYOSHILDLRI-GJZGRUSLSA-N 0 0 345.443 2.205 10 10 EECERN C[C@H](CC[S@](C)=O)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896731336 685208890 /nfs/dbraw/zinc/20/88/90/685208890.db2.gz NECOFCMINHQRDG-ZEDNOMKYSA-N 0 0 327.427 2.199 10 10 EECERN O=C(NCC1CSC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000923813144 693965749 /nfs/dbraw/zinc/96/57/49/693965749.db2.gz ZMWPYLYWKFJCFJ-OAHLLOKOSA-N 0 0 336.457 2.446 10 10 EECERN Cc1cc(C)n(C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C(=O)[O-])n1 ZINC000904006087 694266538 /nfs/dbraw/zinc/26/65/38/694266538.db2.gz SMSGTZNCYLFJCI-OOFWQKGWSA-N 0 0 342.443 2.322 10 10 EECERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](O)C(F)F ZINC000897884141 691811152 /nfs/dbraw/zinc/81/11/52/691811152.db2.gz DSQVGKNCSNWZBF-JMCQJSRRSA-N 0 0 331.340 2.447 10 10 EECERN COC(=O)[C@@H]1CCC[C@H](n2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864644428 1197861451 /nfs/dbraw/zinc/86/14/51/1197861451.db2.gz GBTGHWRAHVQWLV-DOMZBBRYSA-N 0 0 330.388 2.344 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(C(F)F)nc1 ZINC000865217129 1198127547 /nfs/dbraw/zinc/12/75/47/1198127547.db2.gz JVZBUFSLYXENIG-YRNVUSSQSA-N 0 0 325.340 2.322 10 10 EECERN COC(=O)c1cc(OCC(=O)NC(C2CC2)C2CC2)ccc1N(C)C ZINC000865396509 1198195953 /nfs/dbraw/zinc/19/59/53/1198195953.db2.gz UKAXRPONDCESEQ-UHFFFAOYSA-N 0 0 346.427 2.223 10 10 EECERN C[C@H](NCc1cn(C[C@@H]2CCOC2)nn1)c1ccc(N(C)C)cc1 ZINC000865532266 1198262282 /nfs/dbraw/zinc/26/22/82/1198262282.db2.gz WSKGHVHNORVJRN-GJZGRUSLSA-N 0 0 329.448 2.231 10 10 EECERN O=c1ccc(C(F)(F)F)nn1Cc1ccc(N2CCOCC2)cc1 ZINC000877879699 1200146581 /nfs/dbraw/zinc/14/65/81/1200146581.db2.gz MSRCVWJYWWRLAY-UHFFFAOYSA-N 0 0 339.317 2.147 10 10 EECERN COCC[C@@H](COC)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000811864288 1200366280 /nfs/dbraw/zinc/36/62/80/1200366280.db2.gz UZMYQHAGJPYRPI-INIZCTEOSA-N 0 0 335.448 2.138 10 10 EECERN COCC[C@H](COC)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000811940195 1200417089 /nfs/dbraw/zinc/41/70/89/1200417089.db2.gz IIRZWMWQXUKJFQ-OAHLLOKOSA-N 0 0 331.416 2.270 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCOCC3)CC2)c(OC)c1 ZINC000870167304 1200531635 /nfs/dbraw/zinc/53/16/35/1200531635.db2.gz FDYXDYRHKBVLMO-OAHLLOKOSA-N 0 0 348.443 2.169 10 10 EECERN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000871197526 1201095204 /nfs/dbraw/zinc/09/52/04/1201095204.db2.gz BQJAQVMWMQLTIM-MRXNPFEDSA-N 0 0 336.391 2.283 10 10 EECERN COc1ccc2c(c1)OC[C@H](C(=O)N1Cc3cccc(O)c3C1)C2 ZINC000871201612 1201098162 /nfs/dbraw/zinc/09/81/62/1201098162.db2.gz XKUAXDCZZZFMDU-CQSZACIVSA-N 0 0 325.364 2.494 10 10 EECERN O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1Cc2cccc(O)c2C1 ZINC000871205649 1201099524 /nfs/dbraw/zinc/09/95/24/1201099524.db2.gz JELMBHFTXNUIGL-ZBFHGGJFSA-N 0 0 328.412 2.416 10 10 EECERN COC1CCN(c2ccc(CN3CCN(C4CC4)C(=O)C3)cc2)CC1 ZINC000827978896 1201178162 /nfs/dbraw/zinc/17/81/62/1201178162.db2.gz CGXYPEKQFTXWNY-UHFFFAOYSA-N 0 0 343.471 2.108 10 10 EECERN C[C@H](NCc1nc2c(c(=O)[nH]1)COCC2)c1ccc(N(C)C)cc1 ZINC000866627259 1201563307 /nfs/dbraw/zinc/56/33/07/1201563307.db2.gz BKSYDLJQUPYKNS-LBPRGKRZSA-N 0 0 328.416 2.172 10 10 EECERN CO[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(=O)OC(C)(C)C ZINC000866771570 1201602681 /nfs/dbraw/zinc/60/26/81/1201602681.db2.gz VMFILIAOGQPFGP-INIZCTEOSA-N 0 0 349.427 2.244 10 10 EECERN Cn1cc(C[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)cn1 ZINC001137242873 1204253341 /nfs/dbraw/zinc/25/33/41/1204253341.db2.gz PFXARTKSYLGUCM-GFCCVEGCSA-N 0 0 340.387 2.287 10 10 EECERN COc1ccc(N2CC[C@@H](N3C(=O)N4CCC[C@@H]5C[C@@]54C3=O)C2)cc1 ZINC000924978195 1206057399 /nfs/dbraw/zinc/05/73/99/1206057399.db2.gz MHCMVSPSHBJKCJ-MUKKUYKPSA-N 0 0 341.411 2.091 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCc2cc(C(F)(F)F)nn2C)c1 ZINC000926570160 1206228024 /nfs/dbraw/zinc/22/80/24/1206228024.db2.gz VPXMBYSRDPCZAD-UHFFFAOYSA-N 0 0 342.321 2.452 10 10 EECERN CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC000928706031 1206413594 /nfs/dbraw/zinc/41/35/94/1206413594.db2.gz NWYHKBWRLJFDQI-INIZCTEOSA-N 0 0 333.359 2.366 10 10 EECERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928709896 1206413794 /nfs/dbraw/zinc/41/37/94/1206413794.db2.gz NBBNBCQKDDPPLN-QGZVFWFLSA-N 0 0 342.370 2.121 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000929003810 1206436219 /nfs/dbraw/zinc/43/62/19/1206436219.db2.gz PUKMFYUTMFPYBC-HOCLYGCPSA-N 0 0 330.384 2.114 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000930905737 1206591327 /nfs/dbraw/zinc/59/13/27/1206591327.db2.gz NPTJTRTZYVWJCT-UHFFFAOYSA-N 0 0 345.403 2.214 10 10 EECERN CO[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000187845910 1208550748 /nfs/dbraw/zinc/55/07/48/1208550748.db2.gz SAEACQCFCHBZOV-UONOGXRCSA-N 0 0 337.489 2.462 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)C[C@@H](OC)C2CC2)cc1 ZINC000827012583 1249141272 /nfs/dbraw/zinc/14/12/72/1249141272.db2.gz BORKGRIYGRUVKL-QGZVFWFLSA-N 0 0 340.489 2.377 10 10 EECERN COc1cc(C)c(C)cc1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000850822670 1277356094 /nfs/dbraw/zinc/35/60/94/1277356094.db2.gz VFJIAPZHYAFKJK-UHFFFAOYSA-N 0 0 341.411 2.192 10 10 EECERN CCc1nnc([C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000851717657 1277725566 /nfs/dbraw/zinc/72/55/66/1277725566.db2.gz NMDOWYZCMNBVPP-AWEZNQCLSA-N 0 0 329.448 2.397 10 10 EECERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1 ZINC000867301731 1285498252 /nfs/dbraw/zinc/49/82/52/1285498252.db2.gz DDYZNOFOTPIJDS-KWCYVHTRSA-N 0 0 335.400 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NO[C@H]3CCCCO3)C2)cc1 ZINC000852291949 1292078457 /nfs/dbraw/zinc/07/84/57/1292078457.db2.gz JQRXODZHOPDGRI-CJNGLKHVSA-N 0 0 335.404 2.031 10 10 EECERN CCC[C@H](C)[C@@H](CO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852448986 1292116460 /nfs/dbraw/zinc/11/64/60/1292116460.db2.gz OZMUDVHZMIEOTQ-RLFYNMQTSA-N 0 0 349.475 2.370 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CCO4)CC3)C2)cc1 ZINC000852451300 1292117940 /nfs/dbraw/zinc/11/79/40/1292117940.db2.gz HGDPFRAZMPMIPY-HNNXBMFYSA-N 0 0 345.443 2.238 10 10 EECERN Nc1ccc(Cc2nc(C(=O)N3CC[C@H]4COC[C@H]4C3)cs2)cc1 ZINC000852864810 1292218925 /nfs/dbraw/zinc/21/89/25/1292218925.db2.gz IPLKOAJFGLFGPJ-UONOGXRCSA-N 0 0 343.452 2.425 10 10 EECERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000853749560 1292444684 /nfs/dbraw/zinc/44/46/84/1292444684.db2.gz VXKWHDKJJXWEIA-FZNQNYSPSA-N 0 0 333.432 2.154 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)Cc2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000853816664 1292468450 /nfs/dbraw/zinc/46/84/50/1292468450.db2.gz WZFQVJGRSLPKBV-FNORWQNLSA-N 0 0 332.316 2.109 10 10 EECERN O=C(NCCCSc1nccs1)N[C@H]1C[C@@H](O)C12CCC2 ZINC000853857620 1292491099 /nfs/dbraw/zinc/49/10/99/1292491099.db2.gz HHMNETYAJJPUJW-WDEREUQCSA-N 0 0 327.475 2.228 10 10 EECERN O=C(NCCCSc1nccs1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000853857617 1292491768 /nfs/dbraw/zinc/49/17/68/1292491768.db2.gz HHMNETYAJJPUJW-GHMZBOCLSA-N 0 0 327.475 2.228 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](OC)[C@H]1CCOC1 ZINC000854276781 1292701094 /nfs/dbraw/zinc/70/10/94/1292701094.db2.gz AQUXBJZJHDXSBA-FUHWJXTLSA-N 0 0 349.475 2.336 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](CCCO)C3)C2)cc1 ZINC000854298232 1292710450 /nfs/dbraw/zinc/71/04/50/1292710450.db2.gz YOWAEEUKHDDNJP-CVEARBPZSA-N 0 0 347.459 2.078 10 10 EECERN CC[C@H](O)CCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300525 1292711416 /nfs/dbraw/zinc/71/14/16/1292711416.db2.gz VCXNUVIVADKKPN-ZBFHGGJFSA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@H](OC)C3CCC3)C2)cc1 ZINC000854981650 1293020624 /nfs/dbraw/zinc/02/06/24/1293020624.db2.gz XZYLHMVUHYSEHY-RDTXWAMCSA-N 0 0 332.444 2.453 10 10 EECERN COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000855448413 1293215894 /nfs/dbraw/zinc/21/58/94/1293215894.db2.gz NLCXLRXYODTNAW-DLBZAZTESA-N 0 0 342.395 2.154 10 10 EECERN Cc1cc(C(=O)N2CC[C@H](O)C(F)(F)C2)c(C)n1-c1ccccn1 ZINC000855448295 1293215974 /nfs/dbraw/zinc/21/59/74/1293215974.db2.gz NLCREURHSVWDJV-AWEZNQCLSA-N 0 0 335.354 2.331 10 10 EECERN Cc1cc(CCNC(=O)N2CC(=O)N(C)C2)c(C)n1-c1ccccc1 ZINC000859041278 1294301450 /nfs/dbraw/zinc/30/14/50/1294301450.db2.gz NTNISBBMMYQRQQ-UHFFFAOYSA-N 0 0 340.427 2.078 10 10 EECERN COCCN(CCOC1CCOCC1)c1ccc(OC)c(OC)c1 ZINC000859196043 1294345879 /nfs/dbraw/zinc/34/58/79/1294345879.db2.gz IMRGAOSXXOFUFP-UHFFFAOYSA-N 0 0 339.432 2.352 10 10 EECERN CCO[C@@H](CS(=O)(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000859205820 1294348751 /nfs/dbraw/zinc/34/87/51/1294348751.db2.gz FGGFEAYRPHASIV-AWEZNQCLSA-N 0 0 333.837 2.280 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(Cl)nn(C)c1Cl ZINC000860696494 1295068203 /nfs/dbraw/zinc/06/82/03/1295068203.db2.gz AWIKIBDGSGPKEH-ZETCQYMHSA-N 0 0 344.198 2.499 10 10 EECERN CCOc1cccc(CN[C@H](C[C@H]2CCCOC2)C(=O)OC)c1O ZINC000862516729 1295864033 /nfs/dbraw/zinc/86/40/33/1295864033.db2.gz XUOLHCJWVMCVCU-UKRRQHHQSA-N 0 0 337.416 2.239 10 10 EECERN CCOc1ccc(CN[C@@H](C[C@H]2CCCOC2)C(=O)OC)c(O)c1 ZINC000862516134 1295865187 /nfs/dbraw/zinc/86/51/87/1295865187.db2.gz LJFSGLRNCUZZQV-CJNGLKHVSA-N 0 0 337.416 2.239 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCC[C@H]21 ZINC000863331432 1296226155 /nfs/dbraw/zinc/22/61/55/1296226155.db2.gz MCOSMOBPSUNPTD-OJILRPSTSA-N 0 0 345.395 2.301 10 10 EECERN CCOC(=O)C1(O)CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840917436 1315434977 /nfs/dbraw/zinc/43/49/77/1315434977.db2.gz KQBHVARBMIBSDY-UHFFFAOYSA-N 0 0 327.808 2.244 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc2n1CCOC2 ZINC001124549543 1310915793 /nfs/dbraw/zinc/91/57/93/1310915793.db2.gz MEIQMHLEZXEMGM-UHFFFAOYSA-N 0 0 340.427 2.286 10 10 EECERN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000841957882 1315644073 /nfs/dbraw/zinc/64/40/73/1315644073.db2.gz FFWBRPQNNCNRRX-SPYBWZPUSA-N 0 0 347.459 2.179 10 10 EECERN O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1Cc2cccc(O)c2C1 ZINC001152565798 1316690160 /nfs/dbraw/zinc/69/01/60/1316690160.db2.gz QQWJSLBGHXSQLN-CYBMUJFWSA-N 0 0 340.354 2.427 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001293952484 1328844946 /nfs/dbraw/zinc/84/49/46/1328844946.db2.gz BRSRKXIENFOEAP-UHFFFAOYSA-N 0 0 342.355 2.282 10 10 EECERN CO[C@H]1C[C@@H]2CN(C(=O)C3=CC(=O)CS3)Cc3cccnc3N2C1 ZINC001261885971 1322193382 /nfs/dbraw/zinc/19/33/82/1322193382.db2.gz QLHUEUVRVHOZSH-OCCSQVGLSA-N 0 0 345.424 2.098 10 10 EECERN CC/C(C)=C\C(=O)N(C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001280998358 1324705662 /nfs/dbraw/zinc/70/56/62/1324705662.db2.gz DDBSATUDZOOACJ-LLBKUYECSA-N 0 0 349.431 2.032 10 10 EECERN C[C@H](CNC(=O)C1CC=CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295448876 1329812361 /nfs/dbraw/zinc/81/23/61/1329812361.db2.gz NABAZZGQQFSGGQ-LLVKDONJSA-N 0 0 343.387 2.050 10 10 EECERN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)CC ZINC001297060406 1329940015 /nfs/dbraw/zinc/94/00/15/1329940015.db2.gz BAHBUXIJVIBUGQ-SFHVURJKSA-N 0 0 348.447 2.318 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCc3cc(Cl)nnc3C2)cc1 ZINC001299897873 1330168722 /nfs/dbraw/zinc/16/87/22/1330168722.db2.gz NEZMXUJBOLPPKC-UHFFFAOYSA-N 0 0 344.762 2.491 10 10 EECERN CC(C)(C)OC(=O)N(CC(=O)NCc1cc(O)ccc1O)C1CC1 ZINC001303226204 1331350683 /nfs/dbraw/zinc/35/06/83/1331350683.db2.gz ZCCOKOQAEZINKM-UHFFFAOYSA-N 0 0 336.388 2.114 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cnn(-c2ccccc2F)c1 ZINC001304051602 1331374899 /nfs/dbraw/zinc/37/48/99/1331374899.db2.gz YCSORMGQPPNOKB-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN C[NH+]1CCN(c2ccc(C[NH2+][C@@](C)(CC(=O)[O-])C3CC3)cc2)CC1 ZINC000901949274 1331528467 /nfs/dbraw/zinc/52/84/67/1331528467.db2.gz DGYBCTHMINDCOO-IBGZPJMESA-N 0 0 331.460 2.171 10 10 EECERN C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC001330967595 1334936899 /nfs/dbraw/zinc/93/68/99/1334936899.db2.gz FIOBMZRIIYRROS-CPUCHLNUSA-N 0 0 347.459 2.004 10 10 EECERN C[C@H](NC(=O)C(=O)N1CCCSC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001332949611 1335936259 /nfs/dbraw/zinc/93/62/59/1335936259.db2.gz WWSMNOZJIIYBAO-KBPBESRZSA-N 0 0 349.500 2.284 10 10 EECERN C[C@H](NC(=O)C(=O)N[C@@H]1CC=CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC001334163386 1336215058 /nfs/dbraw/zinc/21/50/58/1336215058.db2.gz ZFUPWUFOOHZEQR-JKIFEVAISA-N 0 0 329.444 2.401 10 10 EECERN COC(=O)[C@]1(C(=O)NCc2cccc(O)c2O)C[C@H]1c1ccccc1 ZINC001350315757 1337694485 /nfs/dbraw/zinc/69/44/85/1337694485.db2.gz RFQKEPRTDCQXJD-IFXJQAMLSA-N 0 0 341.363 2.061 10 10 EECERN C[C@H](NC(=O)CN1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000847393748 1338024193 /nfs/dbraw/zinc/02/41/93/1338024193.db2.gz PTYDXZOHJHXUFN-HNNXBMFYSA-N 0 0 331.460 2.042 10 10 EECERN CCCC[C@@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849358601 1339154364 /nfs/dbraw/zinc/15/43/64/1339154364.db2.gz ZNJZKSOYEWIUMC-HOCLYGCPSA-N 0 0 331.416 2.385 10 10 EECERN COCC[C@H](COC)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001564870625 1342550881 /nfs/dbraw/zinc/55/08/81/1342550881.db2.gz GFRAQKNIJUEWQY-QGZVFWFLSA-N 0 0 349.475 2.480 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)Cc1ccon1 ZINC001675054102 1356930210 /nfs/dbraw/zinc/93/02/10/1356930210.db2.gz JJVZWCAEWYUDNT-LLVKDONJSA-N 0 0 344.375 2.087 10 10 EECERN C[C@@H](C(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001575766827 1343875539 /nfs/dbraw/zinc/87/55/39/1343875539.db2.gz HOULKRFXNIXKKC-LLVKDONJSA-N 0 0 345.403 2.131 10 10 EECERN Cn1ncc(C(=O)NCc2cc(O)ccc2O)c1Cc1ccccc1 ZINC001593873172 1349873180 /nfs/dbraw/zinc/87/31/80/1349873180.db2.gz KOEYCIJSDSPUTQ-UHFFFAOYSA-N 0 0 337.379 2.352 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001595061012 1349880580 /nfs/dbraw/zinc/88/05/80/1349880580.db2.gz GFMGHPSSCXJIDF-GWCFXTLKSA-N 0 0 333.306 2.257 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC001596732909 1349911506 /nfs/dbraw/zinc/91/15/06/1349911506.db2.gz KNTSPZLGIJYSPJ-UHFFFAOYSA-N 0 0 344.371 2.284 10 10 EECERN CCCC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(C)=O ZINC001678517802 1357523570 /nfs/dbraw/zinc/52/35/70/1357523570.db2.gz FFWWTSLEFVNQOG-AWEZNQCLSA-N 0 0 333.392 2.274 10 10 EECERN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001625358079 1352447025 /nfs/dbraw/zinc/44/70/25/1352447025.db2.gz ZTNKPZYCAWLZQK-FLBPPNCPSA-N 0 0 346.408 2.039 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3cc(C=O)[nH]c3C)CC2)cc1 ZINC001626318692 1352459710 /nfs/dbraw/zinc/45/97/10/1352459710.db2.gz JHUCNRLBSQTMHO-UHFFFAOYSA-N 0 0 341.411 2.497 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)cc1F ZINC001627045914 1352481510 /nfs/dbraw/zinc/48/15/10/1352481510.db2.gz IDBHXZUYLOYAJZ-UHFFFAOYSA-N 0 0 332.335 2.312 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1ccnc2[nH]c(=O)[nH]c21 ZINC001631159690 1352578288 /nfs/dbraw/zinc/57/82/88/1352578288.db2.gz VTCYFXCWBGGGMP-UHFFFAOYSA-N 0 0 326.356 2.422 10 10 EECERN CCOC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001631542317 1352585919 /nfs/dbraw/zinc/58/59/19/1352585919.db2.gz HHQMSKCWMAOCBM-HNNXBMFYSA-N 0 0 343.379 2.451 10 10 EECERN C[C@@H](C[S@](C)=O)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001633541572 1352611988 /nfs/dbraw/zinc/61/19/88/1352611988.db2.gz WJMUBXLDCNSLGB-PSLXWICFSA-N 0 0 337.489 2.195 10 10 EECERN CN(CC(=O)NCCC1=CCCCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001635687428 1352650972 /nfs/dbraw/zinc/65/09/72/1352650972.db2.gz JJHZKSICWDGQLI-UHFFFAOYSA-N 0 0 346.427 2.105 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001636058913 1352657466 /nfs/dbraw/zinc/65/74/66/1352657466.db2.gz WOFVARUTFRMANU-CQSZACIVSA-N 0 0 339.432 2.189 10 10 EECERN CN(C)C(=O)NCCc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC001643290998 1352744997 /nfs/dbraw/zinc/74/49/97/1352744997.db2.gz WMUIHPQZSKHPEU-UHFFFAOYSA-N 0 0 343.383 2.164 10 10 EECERN C[C@@H]1CCN(c2cc(C(=O)NCc3c(O)cccc3O)ccn2)C1 ZINC001645361023 1352777109 /nfs/dbraw/zinc/77/71/09/1352777109.db2.gz UCGXNXRLJLWOOH-GFCCVEGCSA-N 0 0 327.384 2.269 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CCCCN1Cc1ccncc1 ZINC001647268789 1353213061 /nfs/dbraw/zinc/21/30/61/1353213061.db2.gz CIACAMMXFBKJTK-MRXNPFEDSA-N 0 0 341.411 2.164 10 10 EECERN CCc1noc([C@H]2CC[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C2)n1 ZINC001648264563 1353422360 /nfs/dbraw/zinc/42/23/60/1353422360.db2.gz UKPMIYUBBXHRFD-NWDGAFQWSA-N 0 0 331.372 2.038 10 10 EECERN CCOC(=O)[C@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001651225385 1354045008 /nfs/dbraw/zinc/04/50/08/1354045008.db2.gz HONHNQCGGMUSCM-INIZCTEOSA-N 0 0 329.352 2.061 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001651394282 1354051433 /nfs/dbraw/zinc/05/14/33/1354051433.db2.gz PNAUWDCSTQFASP-HNNXBMFYSA-N 0 0 331.343 2.459 10 10 EECERN C[C@H](C(=O)NCc1c(O)cccc1O)n1ccc2ccccc2c1=O ZINC001652625714 1354097203 /nfs/dbraw/zinc/09/72/03/1354097203.db2.gz JRHIGEDPPFRTGH-GFCCVEGCSA-N 0 0 338.363 2.290 10 10 EECERN Cc1ccc(C(=O)NC2(CO)C3CC4CC(C3)CC2C4)c(O)c1O ZINC000840521100 782690023 /nfs/dbraw/zinc/69/00/23/782690023.db2.gz UQOVODNJGVYXLQ-UHFFFAOYSA-N 0 0 331.412 2.323 10 10 EECERN C[C@H]1Cc2cc(S(=O)(=O)NCc3c(O)cccc3F)ccc2O1 ZINC000921452118 773382689 /nfs/dbraw/zinc/38/26/89/773382689.db2.gz DSGITRGEDXWGBU-JTQLQIEISA-N 0 0 337.372 2.333 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCCS1(=O)=O ZINC000906426947 783913647 /nfs/dbraw/zinc/91/36/47/783913647.db2.gz CXVGEYTVXGDWOD-QGZVFWFLSA-N 0 0 338.473 2.068 10 10 EECERN CC[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000817833901 785003592 /nfs/dbraw/zinc/00/35/92/785003592.db2.gz RHZIQHSTLAUFRZ-UKPHBRMFSA-N 0 0 347.459 2.004 10 10 EECERN CC[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000817833900 785003736 /nfs/dbraw/zinc/00/37/36/785003736.db2.gz RHZIQHSTLAUFRZ-JLJPHGGASA-N 0 0 347.459 2.004 10 10 EECERN C[C@H](NC(=O)/C=C/[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000819165887 785440347 /nfs/dbraw/zinc/44/03/47/785440347.db2.gz GFPDRAYYXOVLSC-MOXZYMDWSA-N 0 0 330.428 2.436 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)C(F)=C3CCC3)CC2)cc1 ZINC000819186699 785452839 /nfs/dbraw/zinc/45/28/39/785452839.db2.gz VMOLTERLLLHYRE-UHFFFAOYSA-N 0 0 347.434 2.341 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3n[nH]c(C)c3C)C2)cc1 ZINC000819584616 785596165 /nfs/dbraw/zinc/59/61/65/785596165.db2.gz NLAQUEPQANMQHU-CQSZACIVSA-N 0 0 328.416 2.291 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC(c2ccccn2)=NO1 ZINC001146247631 791127402 /nfs/dbraw/zinc/12/74/02/791127402.db2.gz MSGXAQNEUPMXQE-OAHLLOKOSA-N 0 0 331.759 2.250 10 10 EECERN COc1ccc(N2CC[C@H](CNc3nc(C(N)=O)cs3)C2)cc1 ZINC000819933961 785731303 /nfs/dbraw/zinc/73/13/03/785731303.db2.gz FNZHQSDIDOZGRJ-LLVKDONJSA-N 0 0 332.429 2.189 10 10 EECERN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)nn2c1OCCC2 ZINC000822265427 787099049 /nfs/dbraw/zinc/09/90/49/787099049.db2.gz QBYQFJASNLNFLX-UHFFFAOYSA-N 0 0 328.416 2.312 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccnc(C)c3)C2)cc1 ZINC000822269820 787101030 /nfs/dbraw/zinc/10/10/30/787101030.db2.gz IPTYXUKUEOJVQN-HNNXBMFYSA-N 0 0 326.400 2.221 10 10 EECERN C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000823292920 787681573 /nfs/dbraw/zinc/68/15/73/787681573.db2.gz UPSVUJJUGABPNK-MAUKXSAKSA-N 0 0 332.444 2.345 10 10 EECERN CCc1cc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1C ZINC000823839981 787957604 /nfs/dbraw/zinc/95/76/04/787957604.db2.gz PVJWULUMPYIRPE-CYBMUJFWSA-N 0 0 343.431 2.392 10 10 EECERN Cc1cc(C(=O)N(C)C2CS(=O)(=O)C2)c(C)n1-c1ccccc1C ZINC000913146284 788668489 /nfs/dbraw/zinc/66/84/89/788668489.db2.gz OZSQABMIUSWVLE-UHFFFAOYSA-N 0 0 346.452 2.272 10 10 EECERN Cc1cnn(Cc2cc(C(=O)N(C)Cc3ccccc3O)no2)c1 ZINC000156817494 789310784 /nfs/dbraw/zinc/31/07/84/789310784.db2.gz NHQLGFJYRUIMTD-UHFFFAOYSA-N 0 0 326.356 2.206 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(C)(C)NC(=O)COC(C)(C)C ZINC000845791343 789948075 /nfs/dbraw/zinc/94/80/75/789948075.db2.gz IYZFMLUWGUKIDB-UHFFFAOYSA-N 0 0 336.432 2.061 10 10 EECERN C[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccccc1O ZINC001171730156 796707315 /nfs/dbraw/zinc/70/73/15/796707315.db2.gz LLPAIMCSAIRDBN-JTQLQIEISA-N 0 0 329.381 2.041 10 10 EECERN CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1c(O)cccc1O ZINC001178912925 799698166 /nfs/dbraw/zinc/69/81/66/799698166.db2.gz ZPQANTGKGQWZPY-RTXFEEFZSA-N 0 0 348.399 2.112 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@H]2CNC(=O)C2)c1 ZINC000922783375 801874467 /nfs/dbraw/zinc/87/44/67/801874467.db2.gz POPPEEJPIUQBIC-SNVBAGLBSA-N 0 0 327.222 2.079 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(C)n1 ZINC000788120060 807378617 /nfs/dbraw/zinc/37/86/17/807378617.db2.gz YEPVPSYVRIWDKY-UHFFFAOYSA-N 0 0 341.411 2.151 10 10 EECERN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000788493027 807549843 /nfs/dbraw/zinc/54/98/43/807549843.db2.gz NCEIQZWATLHIHX-UHFFFAOYSA-N 0 0 334.397 2.462 10 10 EECERN COC(=O)C[C@](C)(NC(=O)c1cccc(O)c1O)c1cccc(F)c1 ZINC000789891525 808232250 /nfs/dbraw/zinc/23/22/50/808232250.db2.gz ZCLOEQYFPLXNPY-SFHVURJKSA-N 0 0 347.342 2.445 10 10 EECERN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(-n2cncn2)cc1 ZINC000789944730 808284665 /nfs/dbraw/zinc/28/46/65/808284665.db2.gz XMCXNZRQVIKASF-JTQLQIEISA-N 0 0 342.330 2.309 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000808515839 812686741 /nfs/dbraw/zinc/68/67/41/812686741.db2.gz ZFGGQVKRNWNLDE-UHFFFAOYSA-N 0 0 339.347 2.278 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccnc1OCc1ccccc1F ZINC000808540816 812711351 /nfs/dbraw/zinc/71/13/51/812711351.db2.gz HTKSHBIVYPOYPH-UHFFFAOYSA-N 0 0 331.299 2.115 10 10 EECERN C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CC(c2ccccc2)=NO1 ZINC001566358398 1125596782 /nfs/dbraw/zinc/59/67/82/1125596782.db2.gz BTNWKIBMQLLHOZ-SFHVURJKSA-N 0 0 326.352 2.297 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cc(-c2ccccc2O)n[nH]1 ZINC001566359314 1125597035 /nfs/dbraw/zinc/59/70/35/1125597035.db2.gz YYSGMAOMAWLEHW-UHFFFAOYSA-N 0 0 325.324 2.124 10 10 EECERN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1ccc(O)c(O)c1 ZINC001445901280 1091827927 /nfs/dbraw/zinc/82/79/27/1091827927.db2.gz MAHGLUXMTKCUNT-UHFFFAOYSA-N 0 0 331.397 2.292 10 10 EECERN COc1ccc(C=O)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001447562612 1102868131 /nfs/dbraw/zinc/86/81/31/1102868131.db2.gz KTNPLDDAUITWCF-LLVKDONJSA-N 0 0 329.352 2.280 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001457734302 1109748526 /nfs/dbraw/zinc/74/85/26/1109748526.db2.gz YJIBZYOECRSSJH-QGZVFWFLSA-N 0 0 335.306 2.110 10 10 EECERN CCCCS(=O)(=O)CC(=O)Nc1c2nonc2ccc1Cl ZINC001459790130 1110248014 /nfs/dbraw/zinc/24/80/14/1110248014.db2.gz WLATUHYFUUULME-UHFFFAOYSA-N 0 0 331.781 2.030 10 10 EECERN Nc1ncnc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)ccc12 ZINC001464364681 1110392699 /nfs/dbraw/zinc/39/26/99/1110392699.db2.gz VYQNMGCRRQFNBZ-UHFFFAOYSA-N 0 0 349.394 2.301 10 10 EECERN O=C(NCCCSc1nccs1)c1cccc(-n2cncn2)n1 ZINC001464897823 1110407125 /nfs/dbraw/zinc/40/71/25/1110407125.db2.gz BZRQOCINWBNJRY-UHFFFAOYSA-N 0 0 346.441 2.031 10 10 EECERN COc1cccc(CNC(=O)Cc2cccc(NC(C)=O)c2)c1O ZINC001465992127 1110427900 /nfs/dbraw/zinc/42/79/00/1110427900.db2.gz IBSFTVLHZYMOMJ-UHFFFAOYSA-N 0 0 328.368 2.218 10 10 EECERN C[C@@H](C(=O)NCc1c(O)ccc2ccccc21)[C@H](C)S(C)(=O)=O ZINC001472084657 1110541638 /nfs/dbraw/zinc/54/16/38/1110541638.db2.gz BJQJSYHVTIZBOM-NEPJUHHUSA-N 0 0 335.425 2.231 10 10 EECERN CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001531503660 1122432518 /nfs/dbraw/zinc/43/25/18/1122432518.db2.gz MJNLLMFKUOGLNY-NILFDRSVSA-N 0 0 340.370 2.408 10 10 EECERN COc1ccc2c(n1)N(C)CCN2C(=O)/C=C/c1cncc(F)c1 ZINC001538013938 1124018623 /nfs/dbraw/zinc/01/86/23/1124018623.db2.gz QJMOBIOKNLGYCB-ZZXKWVIFSA-N 0 0 328.347 2.121 10 10 EECERN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001542348939 1124112609 /nfs/dbraw/zinc/11/26/09/1124112609.db2.gz RMBQWOSAMYOEIS-UKRRQHHQSA-N 0 0 348.443 2.184 10 10 EECERN CC(C)NC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001544770613 1124167368 /nfs/dbraw/zinc/16/73/68/1124167368.db2.gz UFWDONUXMIYWJP-UHFFFAOYSA-N 0 0 328.368 2.417 10 10 EECERN CCOCCO[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804735127 675610792 /nfs/dbraw/zinc/61/07/92/675610792.db2.gz LZFRIHIMHRINKC-JTQLQIEISA-N 0 0 346.221 2.213 10 10 EECERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000296424333 465189243 /nfs/dbraw/zinc/18/92/43/465189243.db2.gz XWMTWINOLSRUCZ-OJYSIEITSA-N 0 0 333.384 2.349 10 10 EECERN Cn1nccc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000046942238 462722030 /nfs/dbraw/zinc/72/20/30/462722030.db2.gz QKSDCTBOADOZIE-INIZCTEOSA-N 0 0 344.415 2.017 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000056392504 463397860 /nfs/dbraw/zinc/39/78/60/463397860.db2.gz QMCMSZRZXITLSB-QAPCUYQASA-N 0 0 347.459 2.484 10 10 EECERN C=CC(=O)NCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000161831649 463461409 /nfs/dbraw/zinc/46/14/09/463461409.db2.gz YLALTAOTXGDXGA-UHFFFAOYSA-N 0 0 329.444 2.231 10 10 EECERN CNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279645451 464117529 /nfs/dbraw/zinc/11/75/29/464117529.db2.gz MFLUYGPIWQETSE-AWEZNQCLSA-N 0 0 329.366 2.482 10 10 EECERN COc1ccccc1N1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000295230009 464754072 /nfs/dbraw/zinc/75/40/72/464754072.db2.gz ZDOUTJBZHUUSFT-NSHDSACASA-N 0 0 346.358 2.254 10 10 EECERN CO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000267109706 464917114 /nfs/dbraw/zinc/91/71/14/464917114.db2.gz YJENUSVMHNLNTG-GFCCVEGCSA-N 0 0 347.419 2.185 10 10 EECERN COc1cccc(CNS(=O)(=O)C[C@H]2CCCC2(F)F)c1O ZINC000295743843 464948858 /nfs/dbraw/zinc/94/88/58/464948858.db2.gz WTGHXBNSNVJUEJ-LLVKDONJSA-N 0 0 335.372 2.256 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](OCC4CC4)C3)cc2N1 ZINC000372267176 466258397 /nfs/dbraw/zinc/25/83/97/466258397.db2.gz JJVRPHNUEBGNCL-GFCCVEGCSA-N 0 0 347.371 2.321 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC(F)(F)C[C@@H]1CO ZINC000375280488 466833267 /nfs/dbraw/zinc/83/32/67/466833267.db2.gz VQJNGPIDJRPDLM-OAHLLOKOSA-N 0 0 339.386 2.198 10 10 EECERN CNC(=O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nn1 ZINC000378405509 467292800 /nfs/dbraw/zinc/29/28/00/467292800.db2.gz RLESQEJOAMDSSS-UHFFFAOYSA-N 0 0 329.791 2.178 10 10 EECERN Cc1cc(CCNC(=O)C2(O)CCOCC2)c(C)n1-c1ccccc1 ZINC000771954601 577241146 /nfs/dbraw/zinc/24/11/46/577241146.db2.gz UEJHRYWPOIOCJJ-UHFFFAOYSA-N 0 0 342.439 2.294 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@H]3C(C)C)CC2)cc1 ZINC000771964991 577242044 /nfs/dbraw/zinc/24/20/44/577242044.db2.gz BPPQXNYUTLECLC-RBUKOAKNSA-N 0 0 345.487 2.226 10 10 EECERN O=S(=O)(c1cccc2nonc21)N1CCc2cc(F)c(F)cc21 ZINC000765055329 577493732 /nfs/dbraw/zinc/49/37/32/577493732.db2.gz QDWOGIXCIAMQPX-UHFFFAOYSA-N 0 0 337.307 2.252 10 10 EECERN Cc1cc(CCNC(=O)C(C)(C)C(N)=O)c(C)n1-c1ccccc1 ZINC000767490677 577538087 /nfs/dbraw/zinc/53/80/87/577538087.db2.gz IEFNTRYKEOINII-UHFFFAOYSA-N 0 0 327.428 2.264 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cn(-c2ccccc2)nn1 ZINC000759588113 577646055 /nfs/dbraw/zinc/64/60/55/577646055.db2.gz IHLHGMDPGBSBIW-CLFYSBASSA-N 0 0 337.335 2.435 10 10 EECERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cncnc1 ZINC000764624864 577740174 /nfs/dbraw/zinc/74/01/74/577740174.db2.gz JKLLMKZDGHXVOX-YOEHRIQHSA-N 0 0 341.411 2.494 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC(OCC(F)F)C2)c([N+](=O)[O-])c1 ZINC000751258516 577750046 /nfs/dbraw/zinc/75/00/46/577750046.db2.gz RGRNDACKKLGINJ-HYXAFXHYSA-N 0 0 342.298 2.251 10 10 EECERN C[C@H]1CCCN(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746705403 577932724 /nfs/dbraw/zinc/93/27/24/577932724.db2.gz LWGFEHYEYXDHKZ-AWEZNQCLSA-N 0 0 337.489 2.135 10 10 EECERN CNC(=O)c1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000741923522 578125791 /nfs/dbraw/zinc/12/57/91/578125791.db2.gz ZYLARHYNBAWENN-UHFFFAOYSA-N 0 0 339.395 2.135 10 10 EECERN C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1=O ZINC000914200749 683355480 /nfs/dbraw/zinc/35/54/80/683355480.db2.gz OMELKKAZESAQSC-AWEZNQCLSA-N 0 0 347.484 2.360 10 10 EECERN COc1cccc(CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)c1O ZINC000896115249 684840587 /nfs/dbraw/zinc/84/05/87/684840587.db2.gz CFPFALRXWTUURI-ZDUSSCGKSA-N 0 0 334.416 2.054 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000897734858 691774399 /nfs/dbraw/zinc/77/43/99/691774399.db2.gz JSLYCHRDOMFUBP-BXUZGUMPSA-N 0 0 349.408 2.333 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2=C(CCC(=O)N2)C1 ZINC000898579652 693382269 /nfs/dbraw/zinc/38/22/69/693382269.db2.gz SNELAMYLTADZFI-UHFFFAOYSA-N 0 0 344.392 2.323 10 10 EECERN COc1cc(Br)cc([C@H](C)NCC(F)(F)CO)c1O ZINC000848545181 1186200080 /nfs/dbraw/zinc/20/00/80/1186200080.db2.gz AXYAABMZJSMBBU-ZETCQYMHSA-N 0 0 340.164 2.442 10 10 EECERN Cc1cnc(CNC[C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001483298987 1190322053 /nfs/dbraw/zinc/32/20/53/1190322053.db2.gz MSEJEYONNBSYCA-JTQLQIEISA-N 0 0 344.375 2.054 10 10 EECERN C[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)[C@H](C)O1 ZINC000865315624 1198165857 /nfs/dbraw/zinc/16/58/57/1198165857.db2.gz PCHNONSJCOKMDS-NRUUGDAUSA-N 0 0 338.791 2.376 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000865323400 1198168626 /nfs/dbraw/zinc/16/86/26/1198168626.db2.gz OJQIFBIMNAKCTL-YJBOKZPZSA-N 0 0 344.411 2.362 10 10 EECERN COC(=O)c1cc(OCc2cc(=O)c(OC)co2)ccc1N(C)C ZINC000865395886 1198196088 /nfs/dbraw/zinc/19/60/88/1198196088.db2.gz DXOJQFMIDJNOLK-UHFFFAOYSA-N 0 0 333.340 2.080 10 10 EECERN COc1ccc(N2CC[C@H](Nc3ccccc3S(N)(=O)=O)C2)cc1 ZINC000865932075 1198429047 /nfs/dbraw/zinc/42/90/47/1198429047.db2.gz NSIKZBHEJGJAGR-ZDUSSCGKSA-N 0 0 347.440 2.033 10 10 EECERN COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000825709743 1198769463 /nfs/dbraw/zinc/76/94/63/1198769463.db2.gz AMSTVAGOZSPJGZ-JMJZKYOTSA-N 0 0 328.206 2.442 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCNC(=O)CC2)cc1 ZINC000814824692 1199749077 /nfs/dbraw/zinc/74/90/77/1199749077.db2.gz GYGZPHOLSWGUTN-MRXNPFEDSA-N 0 0 331.460 2.408 10 10 EECERN COc1cc(Cl)cc(CN2CCO[C@@H](C(=O)C3CC3)C2)c1O ZINC000811502494 1200113852 /nfs/dbraw/zinc/11/38/52/1200113852.db2.gz WACCTZVTPZQKJO-CQSZACIVSA-N 0 0 325.792 2.234 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cccnc2OC)c1 ZINC000811970045 1200439580 /nfs/dbraw/zinc/43/95/80/1200439580.db2.gz QWDSNIFIBMEKAK-GFCCVEGCSA-N 0 0 345.399 2.407 10 10 EECERN COC(OC)[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000923672836 1200458850 /nfs/dbraw/zinc/45/88/50/1200458850.db2.gz GXJVOELOCOGRKB-CYBMUJFWSA-N 0 0 335.448 2.434 10 10 EECERN CCCCC(=O)N1CSC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203113 1201098521 /nfs/dbraw/zinc/09/85/21/1201098521.db2.gz SUJWEAYSHZYBNI-CQSZACIVSA-N 0 0 334.441 2.326 10 10 EECERN Nc1ccc(NC(=O)C(=O)NCCSCCC(F)(F)F)cc1 ZINC000868301293 1201787074 /nfs/dbraw/zinc/78/70/74/1201787074.db2.gz GJHOLYYXEMKJFS-UHFFFAOYSA-N 0 0 335.351 2.009 10 10 EECERN O=C1OC(c2cccnc2)=N/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000130221572 1201952318 /nfs/dbraw/zinc/95/23/18/1201952318.db2.gz KZKBSDOUAXYWQC-SFQUDFHCSA-N 0 0 335.363 2.263 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926650938 1206235097 /nfs/dbraw/zinc/23/50/97/1206235097.db2.gz LMIBVSNOCAJZPR-INMHGKMJSA-N 0 0 334.416 2.118 10 10 EECERN COc1ccc2c(c1)C[C@@H](C(=O)NCc1c(O)cccc1F)CO2 ZINC000928712872 1206414337 /nfs/dbraw/zinc/41/43/37/1206414337.db2.gz ZXQVODSXSXZRIS-GFCCVEGCSA-N 0 0 331.343 2.407 10 10 EECERN CN1CCCc2cc(CNC(=O)[C@@H]3CCCN(C4CC4)C3=O)ccc21 ZINC000931152815 1206611424 /nfs/dbraw/zinc/61/14/24/1206611424.db2.gz ZKNUJZNXVYWJJR-KRWDZBQOSA-N 0 0 341.455 2.086 10 10 EECERN Cc1cnc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000778591242 1208298710 /nfs/dbraw/zinc/29/87/10/1208298710.db2.gz WDRDSPQXAXJMDW-CQSZACIVSA-N 0 0 341.411 2.423 10 10 EECERN c1csc(SCCCNc2ccnc(N3CCOCC3)n2)n1 ZINC000779430745 1210232838 /nfs/dbraw/zinc/23/28/38/1210232838.db2.gz UZYCIPRCIKPWLP-UHFFFAOYSA-N 0 0 337.474 2.364 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3[nH]c(CO)nc3c2)c1 ZINC001137473157 1248676241 /nfs/dbraw/zinc/67/62/41/1248676241.db2.gz ANEJIMXLRUGORB-JTQLQIEISA-N 0 0 341.367 2.260 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)c2ccccc2OC)c1 ZINC000901127961 1235257308 /nfs/dbraw/zinc/25/73/08/1235257308.db2.gz QQOUQGRHFBSFKP-PIGZYNQJSA-N 0 0 331.368 2.320 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C\c2cncn2CC)c2ccccc21 ZINC000901487011 1235867430 /nfs/dbraw/zinc/86/74/30/1235867430.db2.gz WMUHHNGMVIWFPO-DHDCSXOGSA-N 0 0 325.368 2.353 10 10 EECERN Fc1cc(CN2CCO[C@H](C(F)F)C2)ccc1N1CCOCC1 ZINC000802652709 1237925618 /nfs/dbraw/zinc/92/56/18/1237925618.db2.gz FYDBKTSAQDIYHS-HNNXBMFYSA-N 0 0 330.350 2.128 10 10 EECERN O=S(=O)(CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])CC(F)(F)F ZINC000827044218 1249647234 /nfs/dbraw/zinc/64/72/34/1249647234.db2.gz JHWBQGWRLKHFKG-UHFFFAOYSA-N 0 0 349.733 2.251 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(OC(C)C)CCOC2)c1 ZINC000903356771 1240301874 /nfs/dbraw/zinc/30/18/74/1240301874.db2.gz GQNFSMSKMIIGSJ-UGSOOPFHSA-N 0 0 337.416 2.414 10 10 EECERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 ZINC000867301729 1285498631 /nfs/dbraw/zinc/49/86/31/1285498631.db2.gz DDYZNOFOTPIJDS-FPMFFAJLSA-N 0 0 335.400 2.124 10 10 EECERN COc1cc(N2CCN(CCOC(F)F)CC2)cc(OC)c1OC ZINC000851935281 1291923064 /nfs/dbraw/zinc/92/30/64/1291923064.db2.gz AMYGDGTVUWUBCZ-UHFFFAOYSA-N 0 0 346.374 2.074 10 10 EECERN COC(=O)N(C)CCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851987460 1291943396 /nfs/dbraw/zinc/94/33/96/1291943396.db2.gz NXTJIVDMPHUUEP-UHFFFAOYSA-N 0 0 348.447 2.126 10 10 EECERN C[C@@H](NC(=O)N[C@H](CO)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000852012610 1291952942 /nfs/dbraw/zinc/95/29/42/1291952942.db2.gz MYHQUMXZUJODKV-RDTXWAMCSA-N 0 0 347.459 2.044 10 10 EECERN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ncnn21 ZINC000852138477 1292008349 /nfs/dbraw/zinc/00/83/49/1292008349.db2.gz OUVJCFQHYSNHNC-XJKSGUPXSA-N 0 0 338.415 2.160 10 10 EECERN CC[C@@]1(C)CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852451251 1292118008 /nfs/dbraw/zinc/11/80/08/1292118008.db2.gz GLLWDBQVSLPKAM-KXBFYZLASA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCOCC3)C2)cc1 ZINC000852454916 1292118756 /nfs/dbraw/zinc/11/87/56/1292118756.db2.gz RBQJVBNUDMQDQK-LSDHHAIUSA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCCOCC3CC3)C2)cc1 ZINC000853249901 1292340938 /nfs/dbraw/zinc/34/09/38/1292340938.db2.gz JPBZRVYMXKYOJL-INIZCTEOSA-N 0 0 347.459 2.390 10 10 EECERN COCC1(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000854296966 1292707966 /nfs/dbraw/zinc/70/79/66/1292707966.db2.gz IDHUHERVTYCBTR-AWEZNQCLSA-N 0 0 333.432 2.142 10 10 EECERN Cc1cc(CC(=O)N[C@@H]2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC000854939022 1292994686 /nfs/dbraw/zinc/99/46/86/1292994686.db2.gz WABOGIFVGUGQIP-KRWDZBQOSA-N 0 0 339.439 2.422 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnc4n3CCCC4)C2)cc1 ZINC000855226063 1293118332 /nfs/dbraw/zinc/11/83/32/1293118332.db2.gz PXELSMJUCRCGMS-AWEZNQCLSA-N 0 0 340.427 2.237 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)Oc3ccccn3)C2)cc1 ZINC000855226279 1293118405 /nfs/dbraw/zinc/11/84/05/1293118405.db2.gz QYAYFCSENDTDRO-CABCVRRESA-N 0 0 341.411 2.253 10 10 EECERN CCN(CC)C(=O)CCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231500 1293121913 /nfs/dbraw/zinc/12/19/13/1293121913.db2.gz ATBXLQDVHMYRGA-OAHLLOKOSA-N 0 0 347.459 2.039 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CSCCS3)C2)cc1 ZINC000855232757 1293122138 /nfs/dbraw/zinc/12/21/38/1293122138.db2.gz XLOPQNQZRYACGN-SWLSCSKDSA-N 0 0 338.498 2.239 10 10 EECERN Oc1ccc(Cl)cc1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856533997 1293559031 /nfs/dbraw/zinc/55/90/31/1293559031.db2.gz BPZBRKOOSNRMNZ-JKSUJKDBSA-N 0 0 345.830 2.396 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cc(N3CCCCC3)ncn2)cc1 ZINC000856740595 1293615047 /nfs/dbraw/zinc/61/50/47/1293615047.db2.gz KWWXQMMBAZAMRR-UHFFFAOYSA-N 0 0 339.443 2.463 10 10 EECERN C[C@H](NC(=O)C(C)(C)c1c[nH]cn1)c1ccc(N2CCOCC2)cc1 ZINC000857046238 1293706663 /nfs/dbraw/zinc/70/66/63/1293706663.db2.gz ARRJXSUOOWSYRK-AWEZNQCLSA-N 0 0 342.443 2.401 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000858600156 1294164513 /nfs/dbraw/zinc/16/45/13/1294164513.db2.gz TVRHHEVLBUSZOE-HDMKZQKVSA-N 0 0 345.443 2.141 10 10 EECERN CCc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000858724224 1294201491 /nfs/dbraw/zinc/20/14/91/1294201491.db2.gz LQUCZYJPUHFZON-UHFFFAOYSA-N 0 0 348.834 2.392 10 10 EECERN CCO[C@H](CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000858881743 1294252005 /nfs/dbraw/zinc/25/20/05/1294252005.db2.gz GDKPWGNQNVLIBY-QGZVFWFLSA-N 0 0 340.489 2.329 10 10 EECERN Cc1nnc(NNC(=S)Nc2ccc(OC(F)(F)F)cc2)n1C ZINC000863206217 1296149412 /nfs/dbraw/zinc/14/94/12/1296149412.db2.gz QZBQQQNHJAZSOT-UHFFFAOYSA-N 0 0 346.338 2.336 10 10 EECERN CCOc1cc(O)ccc1NS(=O)(=O)C[C@@H](OCC)C1CC1 ZINC000863408355 1296267523 /nfs/dbraw/zinc/26/75/23/1296267523.db2.gz MMIKLBQSWAMSML-OAHLLOKOSA-N 0 0 329.418 2.348 10 10 EECERN COc1ccc(N2CCN(C[C@H](O)c3ccc(F)cn3)CC2)cc1F ZINC000799305078 1305220351 /nfs/dbraw/zinc/22/03/51/1305220351.db2.gz PUZXMLIEROOFBS-KRWDZBQOSA-N 0 0 349.381 2.224 10 10 EECERN CC(=O)N1CCN(c2ccc(CNc3nc(C)ncc3C)cc2)CC1 ZINC001118335578 1306348083 /nfs/dbraw/zinc/34/80/83/1306348083.db2.gz NWDHSIJGHKSYGL-UHFFFAOYSA-N 0 0 339.443 2.374 10 10 EECERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCNC(N)=O)c1 ZINC001119543509 1309105506 /nfs/dbraw/zinc/10/55/06/1309105506.db2.gz MNUFRMULDXKPKO-UHFFFAOYSA-N 0 0 334.807 2.146 10 10 EECERN COc1ccccc1OC[C@@H](C)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001137633174 1314463456 /nfs/dbraw/zinc/46/34/56/1314463456.db2.gz LNBRMQPTQGQZTJ-ZDUSSCGKSA-N 0 0 345.395 2.480 10 10 EECERN COC(=O)CC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCCC1 ZINC001138572771 1314632105 /nfs/dbraw/zinc/63/21/05/1314632105.db2.gz HAHAALHZBDGWAI-UHFFFAOYSA-N 0 0 335.400 2.270 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccnc2n[nH]nc21 ZINC000840557212 1315376523 /nfs/dbraw/zinc/37/65/23/1315376523.db2.gz ZNQFFRFXIGODGX-GFCCVEGCSA-N 0 0 338.415 2.088 10 10 EECERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841961217 1315644839 /nfs/dbraw/zinc/64/48/39/1315644839.db2.gz CCZGNHZZQYDBEY-ZWNOBZJWSA-N 0 0 331.338 2.173 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(F)cn1 ZINC001142689954 1315705306 /nfs/dbraw/zinc/70/53/06/1315705306.db2.gz GATNKLXOGBQEQV-UHFFFAOYSA-N 0 0 332.331 2.132 10 10 EECERN CC(C)(NC(=O)Nc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001153886121 1316908584 /nfs/dbraw/zinc/90/85/84/1316908584.db2.gz XDCTVCYPGPRSEP-UHFFFAOYSA-N 0 0 343.383 2.314 10 10 EECERN CC1(C)C(=O)Nc2cc(C(=O)NCc3c(O)cccc3O)ccc21 ZINC001156886051 1318264273 /nfs/dbraw/zinc/26/42/73/1318264273.db2.gz SFAPFCRHIYHPMN-UHFFFAOYSA-N 0 0 326.352 2.258 10 10 EECERN O=C(NCc1nnc(-c2ccc(F)cc2)[nH]1)c1c(F)ccc(O)c1O ZINC001160767663 1320262094 /nfs/dbraw/zinc/26/20/94/1320262094.db2.gz STEVRSLREBRDEV-UHFFFAOYSA-N 0 0 346.293 2.091 10 10 EECERN Cn1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc(Cl)c1=O ZINC001160942268 1320325467 /nfs/dbraw/zinc/32/54/67/1320325467.db2.gz NYQUGTYHZZXCRE-UHFFFAOYSA-N 0 0 333.735 2.453 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC[C@H](N3CCCC3=O)C2)cc1OC ZINC001162489569 1320873261 /nfs/dbraw/zinc/87/32/61/1320873261.db2.gz KKCXOLNOBOVYLF-LBPRGKRZSA-N 0 0 349.387 2.203 10 10 EECERN CC[C@H](C)C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001296008091 1329864941 /nfs/dbraw/zinc/86/49/41/1329864941.db2.gz WOUCNSIOAQKLQH-NSHDSACASA-N 0 0 333.392 2.083 10 10 EECERN Cc1cnn([C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)c1 ZINC001298745373 1330116976 /nfs/dbraw/zinc/11/69/76/1330116976.db2.gz CGKHZNPJQGZWOM-AWEZNQCLSA-N 0 0 326.360 2.441 10 10 EECERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cc(O)ccc2O)c1 ZINC001303223390 1331350621 /nfs/dbraw/zinc/35/06/21/1331350621.db2.gz NKROZKXURPCQJM-UHFFFAOYSA-N 0 0 346.339 2.400 10 10 EECERN CCOc1cc(C(=O)OC)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001303755459 1331365044 /nfs/dbraw/zinc/36/50/44/1331365044.db2.gz AMTVPCMHLUETCB-UHFFFAOYSA-N 0 0 345.351 2.464 10 10 EECERN COC(=O)C1CC2(C1)C[N@H+](Cc1cc(C)c(C)cc1O)C[C@@H]2C(=O)[O-] ZINC000903693644 1331609726 /nfs/dbraw/zinc/60/97/26/1331609726.db2.gz JDJQYPOPPBFDNH-XAUUPUKJSA-N 0 0 347.411 2.095 10 10 EECERN C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC001325738811 1333950647 /nfs/dbraw/zinc/95/06/47/1333950647.db2.gz PJURXQCZQBBWGM-CJNGLKHVSA-N 0 0 347.459 2.004 10 10 EECERN COc1c(O)c(CN2CCO[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC001328902894 1334544139 /nfs/dbraw/zinc/54/41/39/1334544139.db2.gz JMDZGTQRQWJLLJ-CQSZACIVSA-N 0 0 332.303 2.165 10 10 EECERN CC1(C)CCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001329163538 1334597603 /nfs/dbraw/zinc/59/76/03/1334597603.db2.gz CXOVBBXVMHBZEQ-UHFFFAOYSA-N 0 0 327.428 2.080 10 10 EECERN C/C=C/C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001329511427 1334665639 /nfs/dbraw/zinc/66/56/39/1334665639.db2.gz RLROTRAJZWBFRL-HSWBROFVSA-N 0 0 328.412 2.439 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3cn(C)nc3Cl)CC2)cc1 ZINC001330589841 1334874675 /nfs/dbraw/zinc/87/46/75/1334874675.db2.gz JJAHXFMSPCOUTK-UHFFFAOYSA-N 0 0 348.834 2.435 10 10 EECERN C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)C1CCC(F)CC1 ZINC001347698950 1337519408 /nfs/dbraw/zinc/51/94/08/1337519408.db2.gz LVUTUMNHRLIFFY-DNOWBOINSA-N 0 0 336.407 2.384 10 10 EECERN CN1CCN(c2ccc(CN3CCO[C@H](CCF)C3)cc2F)CC1 ZINC001351629341 1337832439 /nfs/dbraw/zinc/83/24/39/1337832439.db2.gz WXYGNXZDFWDUDU-MRXNPFEDSA-N 0 0 339.430 2.138 10 10 EECERN CN(C)c1ccc(/C=C/C[NH2+][C@H](Cc2ccncc2)C(=O)[O-])cc1 ZINC000848637701 1338734280 /nfs/dbraw/zinc/73/42/80/1338734280.db2.gz VZCFVNLITAPFIF-OAJJDEHYSA-N 0 0 325.412 2.446 10 10 EECERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001611071692 1352294080 /nfs/dbraw/zinc/29/40/80/1352294080.db2.gz YMSJOLGGEULXIM-SIJIIQCFSA-N 0 0 325.364 2.428 10 10 EECERN COC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2 ZINC001617772216 1352344553 /nfs/dbraw/zinc/34/45/53/1352344553.db2.gz GDVAQIMDAMADDN-ZDUSSCGKSA-N 0 0 344.371 2.264 10 10 EECERN Cc1cc(C(=O)N[C@@H](C)c2nccc(N)n2)c(C)n1-c1ccccn1 ZINC001556760499 1342434248 /nfs/dbraw/zinc/43/42/48/1342434248.db2.gz SPINFEMNETUTPC-LBPRGKRZSA-N 0 0 336.399 2.352 10 10 EECERN COCc1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cs1 ZINC001556838115 1342435882 /nfs/dbraw/zinc/43/58/82/1342435882.db2.gz XQJLDVZPKPEIKD-UHFFFAOYSA-N 0 0 333.373 2.382 10 10 EECERN CC1CCN(c2ccc(CNC(=O)Cn3nccc3N)cc2)CC1 ZINC001565663640 1342559758 /nfs/dbraw/zinc/55/97/58/1342559758.db2.gz JWRDIBMHMNPXCJ-UHFFFAOYSA-N 0 0 327.432 2.018 10 10 EECERN CC[C@@H](C)C(=O)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001582936687 1344835393 /nfs/dbraw/zinc/83/53/93/1344835393.db2.gz XGQSVJFDTYPDDT-GFCCVEGCSA-N 0 0 347.419 2.426 10 10 EECERN CCCC(=O)NCC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001677806087 1357412806 /nfs/dbraw/zinc/41/28/06/1357412806.db2.gz OYOGLLDXCJGOOF-UHFFFAOYSA-N 0 0 345.403 2.274 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc2[nH]c(C)nc21 ZINC001627028147 1352481011 /nfs/dbraw/zinc/48/10/11/1352481011.db2.gz CWBZCFBBCDFKOA-UHFFFAOYSA-N 0 0 331.372 2.388 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC001627174842 1352486111 /nfs/dbraw/zinc/48/61/11/1352486111.db2.gz SLFCVIYKUYADKD-UHFFFAOYSA-N 0 0 342.330 2.127 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCc3nc(N)sc3C2)cc1 ZINC001627316647 1352492164 /nfs/dbraw/zinc/49/21/64/1352492164.db2.gz DXKMIOMQTCJZTG-JTQLQIEISA-N 0 0 344.400 2.175 10 10 EECERN CCc1ncc(Cl)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001638347731 1352687665 /nfs/dbraw/zinc/68/76/65/1352687665.db2.gz KRDUTHNLMISIFW-SECBINFHSA-N 0 0 335.791 2.465 10 10 EECERN CC(=O)N[C@H](CC(=O)NCc1cc(O)ccc1O)c1cccs1 ZINC001644752540 1352768255 /nfs/dbraw/zinc/76/82/55/1352768255.db2.gz JRTLSEQWWYCMGI-CYBMUJFWSA-N 0 0 334.397 2.043 10 10 EECERN CC(C)(C)OC(=O)C1(C(=O)NCc2cc(O)ccc2O)CC=CC1 ZINC001644753702 1352768441 /nfs/dbraw/zinc/76/84/41/1352768441.db2.gz GFWJOEAQFSLCPW-UHFFFAOYSA-N 0 0 333.384 2.392 10 10 EECERN CCOC(=O)CCCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001644815162 1352769815 /nfs/dbraw/zinc/76/98/15/1352769815.db2.gz FSVKXPJMBAZYGW-UHFFFAOYSA-N 0 0 343.807 2.364 10 10 EECERN Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)n1-c1cnccn1 ZINC001645363417 1352777327 /nfs/dbraw/zinc/77/73/27/1352777327.db2.gz UJOLWDZPJZABSZ-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN CCCNC(=O)c1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001652625937 1354097213 /nfs/dbraw/zinc/09/72/13/1354097213.db2.gz OONQXBFQGAYPIS-UHFFFAOYSA-N 0 0 328.368 2.168 10 10 EECERN CON1CCC(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001682106115 1358138067 /nfs/dbraw/zinc/13/80/67/1358138067.db2.gz VSVFQTBDHURPCE-UHFFFAOYSA-N 0 0 346.475 2.454 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]1(OC(C)C)CCOC1 ZINC000919082135 769575610 /nfs/dbraw/zinc/57/56/10/769575610.db2.gz VOZROJLATJGEEO-LJQANCHMSA-N 0 0 349.475 2.444 10 10 EECERN COC(=O)CC1CC(NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000919908986 770441383 /nfs/dbraw/zinc/44/13/83/770441383.db2.gz MGUKPFJCFXDMNY-UHFFFAOYSA-N 0 0 343.427 2.204 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCCS2(=O)=O)cc1 ZINC000906283721 783803436 /nfs/dbraw/zinc/80/34/36/783803436.db2.gz YBDREHHOVZJKOB-KRWDZBQOSA-N 0 0 338.473 2.116 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(C(C)(C)C)C1=O ZINC000907272704 784490048 /nfs/dbraw/zinc/49/00/48/784490048.db2.gz HUNQQENJNWNYGF-TZMCWYRMSA-N 0 0 348.443 2.182 10 10 EECERN CC(=O)C[C@@H]1COCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907309447 784510912 /nfs/dbraw/zinc/51/09/12/784510912.db2.gz LERSGHJWTXFMBJ-LLVKDONJSA-N 0 0 335.381 2.133 10 10 EECERN C[C@H](C(=O)NCc1cccc(Br)c1O)c1ccnn1C ZINC000817597131 784857729 /nfs/dbraw/zinc/85/77/29/784857729.db2.gz SQHFNWDZLYMKTR-VIFPVBQESA-N 0 0 338.205 2.308 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC2(C1)CNC(=O)O2 ZINC000817681909 784922165 /nfs/dbraw/zinc/92/21/65/784922165.db2.gz QEICABVNGUTZHH-UHFFFAOYSA-N 0 0 331.397 2.090 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000817878044 785039420 /nfs/dbraw/zinc/03/94/20/785039420.db2.gz MTTPCHFCYXSBCX-HZPDHXFCSA-N 0 0 348.443 2.205 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)/C=C/[C@H]3CCCO3)C2)cc1 ZINC000819586491 785596187 /nfs/dbraw/zinc/59/61/87/785596187.db2.gz ABZGZKXTSJYXBC-NCQICXCDSA-N 0 0 330.428 2.373 10 10 EECERN CCC/C=C/[C@@H](O)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001136336235 785901354 /nfs/dbraw/zinc/90/13/54/785901354.db2.gz ICJINSNRCOPHRJ-SUQGKYDKSA-N 0 0 332.444 2.451 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)n(C)n3)C2)cc1 ZINC000822069511 787016138 /nfs/dbraw/zinc/01/61/38/787016138.db2.gz ALEKSJOYOLOXNS-CYBMUJFWSA-N 0 0 329.404 2.138 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)CCc2cnn(C)n2)cc1 ZINC000822268868 787099713 /nfs/dbraw/zinc/09/97/13/787099713.db2.gz INBCFFPMPBJEJD-UHFFFAOYSA-N 0 0 329.448 2.253 10 10 EECERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000911261221 787353838 /nfs/dbraw/zinc/35/38/38/787353838.db2.gz DZWVSWBKKJLEJE-UONOGXRCSA-N 0 0 328.368 2.146 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136744518 787805854 /nfs/dbraw/zinc/80/58/54/787805854.db2.gz UWBZHPFZSHYXCB-UHFFFAOYSA-N 0 0 337.767 2.276 10 10 EECERN CC(C)C(=O)N1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824522505 788200755 /nfs/dbraw/zinc/20/07/55/788200755.db2.gz PWEVGFYHSLUOMY-UHFFFAOYSA-N 0 0 341.249 2.455 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCO[C@@H]1CCOC1 ZINC000150783962 788261804 /nfs/dbraw/zinc/26/18/04/788261804.db2.gz QRXIPJXLMFMWPS-CQSZACIVSA-N 0 0 343.383 2.176 10 10 EECERN CCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCOC1 ZINC000824685474 788272987 /nfs/dbraw/zinc/27/29/87/788272987.db2.gz FDQSLADDYQDQMW-WBVHZDCISA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N(C)CCN(C)Cc2cn(CC3CC3)nn2)cc1 ZINC000844403198 789070263 /nfs/dbraw/zinc/07/02/63/789070263.db2.gz ZMPFFIPUUGITMS-UHFFFAOYSA-N 0 0 329.448 2.265 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCOC2(C)C)cc1 ZINC000845230012 789681938 /nfs/dbraw/zinc/68/19/38/789681938.db2.gz YKUNBANVGQXOHB-MRXNPFEDSA-N 0 0 335.448 2.340 10 10 EECERN CC(C)(O)C1CCC(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000845405532 789755983 /nfs/dbraw/zinc/75/59/83/789755983.db2.gz RBUDYBRKDJOEMN-UHFFFAOYSA-N 0 0 336.384 2.401 10 10 EECERN Cc1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000846440707 790160598 /nfs/dbraw/zinc/16/05/98/790160598.db2.gz QYOFVTPHVBTFEH-XBXGTLAGSA-N 0 0 329.375 2.227 10 10 EECERN CS(=O)(=O)c1cccnc1CNCc1c(O)cccc1Cl ZINC000785572557 806524870 /nfs/dbraw/zinc/52/48/70/806524870.db2.gz OYJNQSXYTAKZCM-UHFFFAOYSA-N 0 0 326.805 2.134 10 10 EECERN CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000916590455 797661979 /nfs/dbraw/zinc/66/19/79/797661979.db2.gz BVIYUXAVMJPCMW-UHFFFAOYSA-N 0 0 329.308 2.096 10 10 EECERN CCc1cnc(N2CCN(C(=O)c3cccc(O)c3O)CC2)s1 ZINC000790791259 808921036 /nfs/dbraw/zinc/92/10/36/808921036.db2.gz FSGYMCGVYUJYDV-UHFFFAOYSA-N 0 0 333.413 2.079 10 10 EECERN CC(C)(NC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)F ZINC000792053192 809552671 /nfs/dbraw/zinc/55/26/71/809552671.db2.gz ZUWVATFNXFYVHV-UHFFFAOYSA-N 0 0 327.375 2.366 10 10 EECERN COc1ccc(CNC(=O)CNC(=O)c2ccc(C)c(C)c2)c(O)c1 ZINC000794380821 810806170 /nfs/dbraw/zinc/80/61/70/810806170.db2.gz FPTBFFNTPKCEEQ-UHFFFAOYSA-N 0 0 342.395 2.064 10 10 EECERN C[C@@H](OCC(=O)NCc1ccc(N2CCCC2)cc1)c1nccn1C ZINC000805165063 811167587 /nfs/dbraw/zinc/16/75/87/811167587.db2.gz VGKLHJBXZTXJKZ-OAHLLOKOSA-N 0 0 342.443 2.414 10 10 EECERN C[C@@H]1CC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000805864421 811591969 /nfs/dbraw/zinc/59/19/69/811591969.db2.gz VBGKAYMQBUBNEF-MLGOLLRUSA-N 0 0 335.423 2.385 10 10 EECERN O=C(Cn1cc(Cl)cn1)NCc1cc(Br)ccc1O ZINC000807737160 812314734 /nfs/dbraw/zinc/31/47/34/812314734.db2.gz NMJMLOWULILTMK-UHFFFAOYSA-N 0 0 344.596 2.321 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000808116834 812462997 /nfs/dbraw/zinc/46/29/97/812462997.db2.gz CYHXLWCUWRXNBS-XQRVVYSFSA-N 0 0 332.356 2.398 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000808511505 812682403 /nfs/dbraw/zinc/68/24/03/812682403.db2.gz BGEVQZIMHBLUAL-UHFFFAOYSA-N 0 0 330.340 2.172 10 10 EECERN COc1c(Br)c(C)sc1C(=O)OCC(=O)C(C)=O ZINC000808521851 812691049 /nfs/dbraw/zinc/69/10/49/812691049.db2.gz HFIRMDBSOSCLMO-UHFFFAOYSA-N 0 0 335.175 2.143 10 10 EECERN O=C(Cc1cncn1Cc1ccccc1)NCc1ccc(O)cc1O ZINC001451772430 1097918220 /nfs/dbraw/zinc/91/82/20/1097918220.db2.gz VVXQOJCZESDNSB-UHFFFAOYSA-N 0 0 337.379 2.202 10 10 EECERN Cc1nnc2n1C[C@H](C(=O)NCc1c(O)ccc3ccccc31)CC2 ZINC001456309115 1109138426 /nfs/dbraw/zinc/13/84/26/1109138426.db2.gz MFTAODAJHYVUST-CQSZACIVSA-N 0 0 336.395 2.324 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)c1ncon1 ZINC001469605206 1110493773 /nfs/dbraw/zinc/49/37/73/1110493773.db2.gz LZWAFDBAENYDHR-AWEZNQCLSA-N 0 0 339.351 2.124 10 10 EECERN C[C@@H](NC(=O)Cc1csc(-c2nc[nH]n2)n1)c1ccccc1O ZINC001471195655 1110518869 /nfs/dbraw/zinc/51/88/69/1110518869.db2.gz KHHMITVUUWDWDT-SECBINFHSA-N 0 0 329.385 2.054 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001471661739 1110527709 /nfs/dbraw/zinc/52/77/09/1110527709.db2.gz AGIXIKVBFBILPO-NEPJUHHUSA-N 0 0 333.306 2.462 10 10 EECERN CCN(CC)C(=O)C1(NC(=O)c2cccc(O)c2O)CCCCC1 ZINC001542235384 1124111803 /nfs/dbraw/zinc/11/18/03/1124111803.db2.gz WPXOPKYHEFEGMG-UHFFFAOYSA-N 0 0 334.416 2.399 10 10 EECERN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(O)c1O ZINC000193134012 237371761 /nfs/dbraw/zinc/37/17/61/237371761.db2.gz NPLGPMUCZBVLIQ-CYBMUJFWSA-N 0 0 332.400 2.009 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)cc1 ZINC000071828035 203122408 /nfs/dbraw/zinc/12/24/08/203122408.db2.gz UTFNERZVVARAIU-INIZCTEOSA-N 0 0 342.443 2.418 10 10 EECERN OCC[C@H]1CSCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000770304833 578153051 /nfs/dbraw/zinc/15/30/51/578153051.db2.gz AANXUYDYPOPJFB-LBPRGKRZSA-N 0 0 332.263 2.455 10 10 EECERN CC(=O)N1CCC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000291419064 278026351 /nfs/dbraw/zinc/02/63/51/278026351.db2.gz WQCWVLDHIWNMCV-HNNXBMFYSA-N 0 0 349.394 2.346 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)C(F)(F)F ZINC000048742743 462936741 /nfs/dbraw/zinc/93/67/41/462936741.db2.gz SCZZMDIRAMXHEX-ZDUSSCGKSA-N 0 0 331.338 2.009 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000157322579 463119429 /nfs/dbraw/zinc/11/94/29/463119429.db2.gz HTIFMOJXCWQOKS-UHFFFAOYSA-N 0 0 338.454 2.148 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCOC[C@@H]2CC(F)F)cc1F ZINC000287089254 463795640 /nfs/dbraw/zinc/79/56/40/463795640.db2.gz CVONLENIFLGHOC-LBPRGKRZSA-N 0 0 345.365 2.457 10 10 EECERN COC(=O)c1cc(C)nc(NCCc2ccc(O)c(O)c2)c1[N+](=O)[O-] ZINC000288605214 464051386 /nfs/dbraw/zinc/05/13/86/464051386.db2.gz YZMXGGTUQNFWCC-UHFFFAOYSA-N 0 0 347.327 2.151 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000292422285 464227919 /nfs/dbraw/zinc/22/79/19/464227919.db2.gz UEDJVDSOLSUJDA-YVARQFDVSA-N 0 0 342.355 2.429 10 10 EECERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000264426221 464320926 /nfs/dbraw/zinc/32/09/26/464320926.db2.gz JQOUVKFYPWEOFT-OCCSQVGLSA-N 0 0 336.457 2.298 10 10 EECERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]2C ZINC000188713528 464350641 /nfs/dbraw/zinc/35/06/41/464350641.db2.gz QVYDVRCNFAPYDP-PZBABLGHSA-N 0 0 342.399 2.429 10 10 EECERN CC1(C)C(=O)Nc2cc(C(=O)NCCc3ccc(O)c(O)c3)ccc21 ZINC000293720335 464418967 /nfs/dbraw/zinc/41/89/67/464418967.db2.gz OFRNQJHFMNRXAB-UHFFFAOYSA-N 0 0 340.379 2.300 10 10 EECERN CCOc1ccc(O)c(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1 ZINC000190156287 464604507 /nfs/dbraw/zinc/60/45/07/464604507.db2.gz BBRUAYAINLPEGY-LSDHHAIUSA-N 0 0 333.388 2.444 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176605040 464809747 /nfs/dbraw/zinc/80/97/47/464809747.db2.gz WYHPYMIPMZBPRI-MRXNPFEDSA-N 0 0 342.447 2.411 10 10 EECERN Cc1cc(N(C)C)ccc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301304062 465939175 /nfs/dbraw/zinc/93/91/75/465939175.db2.gz STNJYXVAJKVAMM-UHFFFAOYSA-N 0 0 329.360 2.075 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)c1cncc(C(N)=O)n1 ZINC000301607729 465995325 /nfs/dbraw/zinc/99/53/25/465995325.db2.gz ZMPOXMRCPCVFOP-UHFFFAOYSA-N 0 0 325.416 2.202 10 10 EECERN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c[nH]nc2C)cc1 ZINC000732215571 577158661 /nfs/dbraw/zinc/15/86/61/577158661.db2.gz DWHYMCFWUAQKCT-UHFFFAOYSA-N 0 0 336.461 2.385 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)OCC(=O)c1ccc2c(c1)OCO2 ZINC000772769318 577296256 /nfs/dbraw/zinc/29/62/56/577296256.db2.gz NQJYTZXNFQWSNN-KXFIGUGUSA-N 0 0 342.303 2.266 10 10 EECERN CCCn1nccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773849279 577368564 /nfs/dbraw/zinc/36/85/64/577368564.db2.gz YGSUBNJMYGHRRR-CYBMUJFWSA-N 0 0 343.431 2.175 10 10 EECERN COCCc1cc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)n(C)n1 ZINC000768995315 577567136 /nfs/dbraw/zinc/56/71/36/577567136.db2.gz JJRSLYVADRESJA-NSHDSACASA-N 0 0 348.403 2.206 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000763620478 577723497 /nfs/dbraw/zinc/72/34/97/577723497.db2.gz RYVWTRGMEKWJQF-YJBOKZPZSA-N 0 0 347.459 2.342 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)[C@@H]2CCCC[C@H]21 ZINC000754007472 577798455 /nfs/dbraw/zinc/79/84/55/577798455.db2.gz CHAFRWBTINVUDF-SJLPKXTDSA-N 0 0 335.469 2.423 10 10 EECERN CN(C)c1ccc(CNC(=O)Cn2cnc3c2CCCC3)cc1F ZINC000757925229 577866632 /nfs/dbraw/zinc/86/66/32/577866632.db2.gz UUBTWBPQIUKCKG-UHFFFAOYSA-N 0 0 330.407 2.283 10 10 EECERN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596413 682990089 /nfs/dbraw/zinc/99/00/89/682990089.db2.gz YRYLLYWASIJXHU-ZWKOTPCHSA-N 0 0 343.471 2.297 10 10 EECERN COc1ccc(O)c([C@H](C)NCc2nc(Br)nn2C)c1 ZINC000894783628 683093422 /nfs/dbraw/zinc/09/34/22/683093422.db2.gz XFXCBRCYNYUGGI-QMMMGPOBSA-N 0 0 341.209 2.143 10 10 EECERN C[C@@H](NC(=O)N1CCO[C@@H](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000914400411 683559722 /nfs/dbraw/zinc/55/97/22/683559722.db2.gz KQOHEHKUSCCDII-JKSUJKDBSA-N 0 0 347.459 2.405 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C)C3=O)cc2)CC1 ZINC000294720860 683601099 /nfs/dbraw/zinc/60/10/99/683601099.db2.gz VCKDERFQULSPHC-GOSISDBHSA-N 0 0 343.471 2.408 10 10 EECERN COC(=O)c1c(CN(C)Cc2c[nH]cn2)c2cc(F)ccc2n1C ZINC000895223572 684310540 /nfs/dbraw/zinc/31/05/40/684310540.db2.gz AHXBDEWIWUTMBL-UHFFFAOYSA-N 0 0 330.363 2.459 10 10 EECERN CC1(N2CCOCC2)CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895401954 684584857 /nfs/dbraw/zinc/58/48/57/684584857.db2.gz GOJGCCJVLFFACV-UHFFFAOYSA-N 0 0 326.387 2.357 10 10 EECERN COC(=O)[C@@H](CC1CCOCC1)NCc1cc(C)cc(OC)c1O ZINC000895589950 684652558 /nfs/dbraw/zinc/65/25/58/684652558.db2.gz CPSUJKFLUMPVIN-OAHLLOKOSA-N 0 0 337.416 2.157 10 10 EECERN O=C(CCCNC(=O)c1cc2cc(O)c(O)cc2s1)NC1CC1 ZINC000895745562 684706630 /nfs/dbraw/zinc/70/66/30/684706630.db2.gz CDGIYUKOWHCBQF-UHFFFAOYSA-N 0 0 334.397 2.101 10 10 EECERN O=C(N[C@H]1CCc2cncn2C1)c1cc2cc(O)c(O)cc2s1 ZINC000897729847 691772737 /nfs/dbraw/zinc/77/27/37/691772737.db2.gz GKBPBZQSXWOFNM-JTQLQIEISA-N 0 0 329.381 2.254 10 10 EECERN CO[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)OC(C)(C)C ZINC000865053145 1198064905 /nfs/dbraw/zinc/06/49/05/1198064905.db2.gz HJAILLZZOIYKCN-MRXNPFEDSA-N 0 0 348.443 2.042 10 10 EECERN COC(=O)c1cc(OCc2nc([C@@H](C)OC)no2)ccc1N(C)C ZINC000865395975 1198196060 /nfs/dbraw/zinc/19/60/60/1198196060.db2.gz HEYOFBAASPRLLD-SNVBAGLBSA-N 0 0 335.360 2.209 10 10 EECERN Cc1cc(N(C)C)ccc1CNc1c(F)cccc1S(N)(=O)=O ZINC000865541708 1198268373 /nfs/dbraw/zinc/26/83/73/1198268373.db2.gz IBRYYIWRTZLSBI-UHFFFAOYSA-N 0 0 337.420 2.460 10 10 EECERN CC(C)C[C@@]1(C(=O)NCCCSc2nccs2)CCNC1=O ZINC000865784467 1198373988 /nfs/dbraw/zinc/37/39/88/1198373988.db2.gz YPBMSHPMVTZGOF-OAHLLOKOSA-N 0 0 341.502 2.294 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@]2(COC)CCOC2)cc1F ZINC000825782469 1199208277 /nfs/dbraw/zinc/20/82/77/1199208277.db2.gz YMHCMVNSRJXUOG-GOSISDBHSA-N 0 0 338.423 2.341 10 10 EECERN COCCCOC1CN(Cc2ccc(Br)cc2O)C1 ZINC000826113757 1201169386 /nfs/dbraw/zinc/16/93/86/1201169386.db2.gz PNBVSKDENAYTIZ-UHFFFAOYSA-N 0 0 330.222 2.392 10 10 EECERN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867834069 1201690289 /nfs/dbraw/zinc/69/02/89/1201690289.db2.gz KLZRBEUESJXNCC-CORIIIEPSA-N 0 0 341.429 2.104 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccccc1O ZINC000868689735 1201859895 /nfs/dbraw/zinc/85/98/95/1201859895.db2.gz SBYGPTUGGPHZIF-WOSRLPQWSA-N 0 0 344.415 2.406 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)cc1 ZINC000869228498 1201969484 /nfs/dbraw/zinc/96/94/84/1201969484.db2.gz KAAYRUWFWLQBJA-BJZITVGISA-N 0 0 330.428 2.349 10 10 EECERN COC(=O)[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@H]2C[C@H]21 ZINC000886404504 1202502964 /nfs/dbraw/zinc/50/29/64/1202502964.db2.gz UNMOHSZNBSEBBI-YTWAJWBKSA-N 0 0 347.392 2.240 10 10 EECERN Cc1cc(CNC[C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001275046292 1205243430 /nfs/dbraw/zinc/24/34/30/1205243430.db2.gz QHLYYSYECRLKRT-SNVBAGLBSA-N 0 0 344.375 2.054 10 10 EECERN C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NCc3c(O)cccc3F)O2)CO1 ZINC000924051760 1205932222 /nfs/dbraw/zinc/93/22/22/1205932222.db2.gz MLKOOMDBXTXRNO-QFSBIZTOSA-N 0 0 338.379 2.057 10 10 EECERN Cn1nc(C(F)(F)F)cc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000926567474 1206227902 /nfs/dbraw/zinc/22/79/02/1206227902.db2.gz GRPUZLADVRAFLT-UHFFFAOYSA-N 0 0 340.305 2.370 10 10 EECERN Nc1ccc(CNC(=O)[C@H]2CC[C@H](Nc3ncccn3)CC2)cc1 ZINC000927768121 1206300570 /nfs/dbraw/zinc/30/05/70/1206300570.db2.gz NRMCAXRIDLPZMX-KOMQPUFPSA-N 0 0 325.416 2.346 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)NCc2noc3c2COCC3)cc1 ZINC000927876741 1206312273 /nfs/dbraw/zinc/31/22/73/1206312273.db2.gz ZWKMQPULMXFYMJ-UHFFFAOYSA-N 0 0 344.415 2.155 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccc(N2CCC(O)CC2)cc1 ZINC000928706139 1206413508 /nfs/dbraw/zinc/41/35/08/1206413508.db2.gz RSRSTOKJQODVGU-UHFFFAOYSA-N 0 0 344.386 2.422 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928711710 1206413922 /nfs/dbraw/zinc/41/39/22/1206413922.db2.gz OHRNEFREYIGGOC-XYPYZODXSA-N 0 0 338.379 2.451 10 10 EECERN CCc1cc(CC(=O)NCc2ccc(N3CCCC3)cc2)n(C)n1 ZINC000930206418 1206541122 /nfs/dbraw/zinc/54/11/22/1206541122.db2.gz WTWJKHMCGUIKDE-UHFFFAOYSA-N 0 0 326.444 2.442 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(C(N)=O)co1 ZINC000188026739 1208594650 /nfs/dbraw/zinc/59/46/50/1208594650.db2.gz IOILUKHXRMHFPY-UHFFFAOYSA-N 0 0 344.415 2.176 10 10 EECERN [O-]c1cc(F)c(Cl)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699132 1248654470 /nfs/dbraw/zinc/65/44/70/1248654470.db2.gz FRLOJDLLOBMYTA-CYBMUJFWSA-N 0 0 328.815 2.216 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCC[C@H]1CCOC1 ZINC000827159583 1250280472 /nfs/dbraw/zinc/28/04/72/1250280472.db2.gz FJYGXUDCLBKJPD-HNNXBMFYSA-N 0 0 340.489 2.297 10 10 EECERN CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000827544628 1248408874 /nfs/dbraw/zinc/40/88/74/1248408874.db2.gz GYMSXFPHBXRVSX-SNVBAGLBSA-N 0 0 329.803 2.372 10 10 EECERN C[C@H](NC(=O)CCOc1cccc(C(N)=O)c1)c1ccccc1O ZINC001151892192 1281094046 /nfs/dbraw/zinc/09/40/46/1281094046.db2.gz KXMKFRNFTYCUBY-LBPRGKRZSA-N 0 0 328.368 2.137 10 10 EECERN Cc1cn2cc(CC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)nc2s1 ZINC000867301604 1285497456 /nfs/dbraw/zinc/49/74/56/1285497456.db2.gz BNAVRFRCOQAYHB-SNVBAGLBSA-N 0 0 345.424 2.405 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC[C@@H]3C)C2)cc1 ZINC000852327097 1292093447 /nfs/dbraw/zinc/09/34/47/1292093447.db2.gz QSQFZWZMHNIWNB-XHSDSOJGSA-N 0 0 347.459 2.246 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](OC)C3)C2)cc1 ZINC000852455298 1292118976 /nfs/dbraw/zinc/11/89/76/1292118976.db2.gz UNJZPAYFYZVACZ-RHSMWYFYSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CCCCO)C2)cc1 ZINC000854297409 1292709408 /nfs/dbraw/zinc/70/94/08/1292709408.db2.gz MKEVBYZRZPGKGG-LSDHHAIUSA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](CCO)C3)C2)cc1 ZINC000854299020 1292709814 /nfs/dbraw/zinc/70/98/14/1292709814.db2.gz DWHJLHDTOLATKQ-CVEARBPZSA-N 0 0 347.459 2.078 10 10 EECERN CCC(O)(CC)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301637 1292712442 /nfs/dbraw/zinc/71/24/42/1292712442.db2.gz RCHPTIJOSACNAR-CQSZACIVSA-N 0 0 335.448 2.124 10 10 EECERN CO[C@@H]1COC[C@@H]1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854919206 1292990884 /nfs/dbraw/zinc/99/08/84/1292990884.db2.gz YEVVHKKEIBSRME-ZWKOTPCHSA-N 0 0 328.412 2.167 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCNC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000855143625 1293085055 /nfs/dbraw/zinc/08/50/55/1293085055.db2.gz IVKOZELVXJZJNU-KRWDZBQOSA-N 0 0 325.412 2.329 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccccc3O)C2)cc1 ZINC000855226034 1293118925 /nfs/dbraw/zinc/11/89/25/1293118925.db2.gz MZJYYUSEVSOXBX-HNNXBMFYSA-N 0 0 326.396 2.338 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)Cc3cnn(C)c3)C2)cc1 ZINC000855227120 1293119621 /nfs/dbraw/zinc/11/96/21/1293119621.db2.gz VYFVDGMSCPBGGV-GDBMZVCRSA-N 0 0 342.443 2.002 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(C)nc3)C2)cc1 ZINC000855232752 1293122011 /nfs/dbraw/zinc/12/20/11/1293122011.db2.gz UJIVTYVBJPLVPY-INIZCTEOSA-N 0 0 325.412 2.336 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000856355716 1293495278 /nfs/dbraw/zinc/49/52/78/1293495278.db2.gz LKBLDORYBZKSNZ-JRBALWBOSA-N 0 0 331.290 2.291 10 10 EECERN COc1cc(COCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1 ZINC000858199770 1294042943 /nfs/dbraw/zinc/04/29/43/1294042943.db2.gz RHHVDVZEPYTXKA-UHFFFAOYSA-N 0 0 343.427 2.331 10 10 EECERN CCO[C@@]1(C)C[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000858598006 1294163484 /nfs/dbraw/zinc/16/34/84/1294163484.db2.gz ARBJCXMUYXYKNR-QBIMZIAESA-N 0 0 333.432 2.141 10 10 EECERN CCO[C@@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000858987802 1294286149 /nfs/dbraw/zinc/28/61/49/1294286149.db2.gz FCGWASBIWWWOPC-KRWDZBQOSA-N 0 0 340.489 2.296 10 10 EECERN CCOC(=O)C1(C(=O)NCc2ccc3cccnc3c2O)CCC1 ZINC000862026906 1295660331 /nfs/dbraw/zinc/66/03/31/1295660331.db2.gz CLLFRKQJDKSDHW-UHFFFAOYSA-N 0 0 328.368 2.290 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3nnc(C)o3)C2)cc1 ZINC001123837568 1310724910 /nfs/dbraw/zinc/72/49/10/1310724910.db2.gz YZKZMXZJIXCQEU-YPMHNXCESA-N 0 0 345.403 2.026 10 10 EECERN O=C(NCCCSc1nccs1)N[C@H]1CCC[C@@H](CO)C1 ZINC000840324899 1315351211 /nfs/dbraw/zinc/35/12/11/1315351211.db2.gz ILAHHRQKLSKVIS-NEPJUHHUSA-N 0 0 329.491 2.476 10 10 EECERN O=C(NCCCSc1nccs1)N[C@@H]1CCC[C@@H](CO)C1 ZINC000840324902 1315351873 /nfs/dbraw/zinc/35/18/73/1315351873.db2.gz ILAHHRQKLSKVIS-VXGBXAGGSA-N 0 0 329.491 2.476 10 10 EECERN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841113372 1315478938 /nfs/dbraw/zinc/47/89/38/1315478938.db2.gz FAILRMRTVLSDRU-JOYOIKCWSA-N 0 0 329.322 2.397 10 10 EECERN CCc1cc(NC(=O)C(=O)NCCc2ccc(N)cc2)ccc1C ZINC000841172243 1315496682 /nfs/dbraw/zinc/49/66/82/1315496682.db2.gz AUQRZMWXZBKCPM-UHFFFAOYSA-N 0 0 325.412 2.437 10 10 EECERN COC(=O)c1ccnc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000841380320 1315541408 /nfs/dbraw/zinc/54/14/08/1315541408.db2.gz QTLMBDRVWFXQEN-UHFFFAOYSA-N 0 0 327.384 2.206 10 10 EECERN Nc1ccc(CCNC(=O)C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000842241354 1315678579 /nfs/dbraw/zinc/67/85/79/1315678579.db2.gz AJEKFNWWGNLSGR-HXUWFJFHSA-N 0 0 341.455 2.276 10 10 EECERN C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000843039669 1315825716 /nfs/dbraw/zinc/82/57/16/1315825716.db2.gz DOOUNFRXCHHAAZ-HIFRSBDPSA-N 0 0 336.407 2.205 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1cc(C(C)(C)C)n2ncnc2n1 ZINC001149871958 1316073527 /nfs/dbraw/zinc/07/35/27/1316073527.db2.gz MYKGOQDFAUPHSQ-UHFFFAOYSA-N 0 0 339.399 2.400 10 10 EECERN C[C@H](NC(=O)CCOc1ccc(C(N)=O)cc1)c1ccccc1O ZINC001151892610 1316603947 /nfs/dbraw/zinc/60/39/47/1316603947.db2.gz UBLFYAIZFVNKHL-LBPRGKRZSA-N 0 0 328.368 2.137 10 10 EECERN COc1cn(-c2ccccc2)nc1C(=O)NCc1c(O)cccc1O ZINC001156881282 1318256926 /nfs/dbraw/zinc/25/69/26/1318256926.db2.gz XETKHFFRJWUPLE-UHFFFAOYSA-N 0 0 339.351 2.222 10 10 EECERN CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCc1c(O)cccc1O ZINC001156880909 1318257628 /nfs/dbraw/zinc/25/76/28/1318257628.db2.gz GZJIWPORYJZLRN-UHFFFAOYSA-N 0 0 338.404 2.407 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001299572176 1319520986 /nfs/dbraw/zinc/52/09/86/1319520986.db2.gz DICLGJSRSRNZBZ-MRXNPFEDSA-N 0 0 348.305 2.185 10 10 EECERN Cc1cc(CNC(=O)Cc2ccc(O)c(O)c2)cc(N2CCCC2)n1 ZINC001160588860 1320206708 /nfs/dbraw/zinc/20/67/08/1320206708.db2.gz UEWBJPIKONQKIO-UHFFFAOYSA-N 0 0 341.411 2.260 10 10 EECERN C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC001162271604 1320802717 /nfs/dbraw/zinc/80/27/17/1320802717.db2.gz KUADURXWOCQMPK-LBPRGKRZSA-N 0 0 344.367 2.029 10 10 EECERN CC[C@H](C)C(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284265574 1326480560 /nfs/dbraw/zinc/48/05/60/1326480560.db2.gz DWZJOEZQXXTHPK-WDEREUQCSA-N 0 0 333.392 2.130 10 10 EECERN CC(C)=CC(=O)N(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285724007 1327124825 /nfs/dbraw/zinc/12/48/25/1327124825.db2.gz PPMNYTUPYRQLLW-GFCCVEGCSA-N 0 0 345.403 2.392 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ns[nH]c1=O ZINC001290331275 1328176064 /nfs/dbraw/zinc/17/60/64/1328176064.db2.gz FYTSTWPWNLEFEL-UHFFFAOYSA-N 0 0 332.429 2.094 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CNC(=O)C(C)(C)C ZINC001297765552 1330003331 /nfs/dbraw/zinc/00/33/31/1330003331.db2.gz KVGJNYSPXZZSJN-NSHDSACASA-N 0 0 347.419 2.377 10 10 EECERN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1CC(C)(C)O ZINC001298364141 1330064233 /nfs/dbraw/zinc/06/42/33/1330064233.db2.gz TUFPHBCHUZVQRH-UHFFFAOYSA-N 0 0 341.415 2.386 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC001321365440 1333086393 /nfs/dbraw/zinc/08/63/93/1333086393.db2.gz XAIJNRRQHARVSE-MSOLQXFVSA-N 0 0 337.423 2.041 10 10 EECERN CC(C)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC001323084688 1333382282 /nfs/dbraw/zinc/38/22/82/1333382282.db2.gz YOJYQOSMSQXAMZ-QGZVFWFLSA-N 0 0 341.455 2.184 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC/C=C\c2ccccc2)cc1 ZINC001332744112 1335896755 /nfs/dbraw/zinc/89/67/55/1335896755.db2.gz YJVKADKQNMSZNN-TWGQIWQCSA-N 0 0 337.423 2.198 10 10 EECERN O=C(N[C@H]1CCc2c1cccc2F)C(=O)N1Cc2cccc(O)c2C1 ZINC001333057866 1335955790 /nfs/dbraw/zinc/95/57/90/1335955790.db2.gz UJXADDLZHLXMJO-INIZCTEOSA-N 0 0 340.354 2.177 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1CCC(F)CC1 ZINC001349223627 1337611492 /nfs/dbraw/zinc/61/14/92/1337611492.db2.gz UKKSXYWKNVAZRH-UHFFFAOYSA-N 0 0 349.450 2.322 10 10 EECERN CNC(=O)Nc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001352215097 1337906158 /nfs/dbraw/zinc/90/61/58/1337906158.db2.gz IYWDFWNSHFIOTQ-UHFFFAOYSA-N 0 0 326.400 2.434 10 10 EECERN CC(C)(C)n1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000847381217 1338003631 /nfs/dbraw/zinc/00/36/31/1338003631.db2.gz GTLNAYZTQXICQN-UHFFFAOYSA-N 0 0 342.443 2.405 10 10 EECERN CCOCc1cc(C[NH2+][C@H]2CCO[C@@](C)(C(=O)[O-])C2)ccc1OC ZINC001353963132 1338379628 /nfs/dbraw/zinc/37/96/28/1338379628.db2.gz LLXHDDHMQPEAKV-MAUKXSAKSA-N 0 0 337.416 2.344 10 10 EECERN CCC[C@@H](C)S(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416831 1339156255 /nfs/dbraw/zinc/15/62/55/1339156255.db2.gz XLMRDOBUAQTOGW-ZIAGYGMSSA-N 0 0 326.462 2.382 10 10 EECERN COC(=O)c1cc(OCn2nnc3ccccc32)ccc1N(C)C ZINC001614869925 1352321727 /nfs/dbraw/zinc/32/17/27/1352321727.db2.gz ZHETYCXZBUANDB-UHFFFAOYSA-N 0 0 326.356 2.320 10 10 EECERN Cc1nnc(-c2ccccc2C(=O)NCc2ccc(O)cc2O)o1 ZINC001557084897 1342440357 /nfs/dbraw/zinc/44/03/57/1342440357.db2.gz SEPPRMYJQUDGTN-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN C[C@@H](NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)c1ccccc1O ZINC001557966440 1342461014 /nfs/dbraw/zinc/46/10/14/1342461014.db2.gz BFODTGAQUNJYNN-GXMKHXEJSA-N 0 0 335.381 2.279 10 10 EECERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1cccc(O)c1O ZINC001558162155 1342466926 /nfs/dbraw/zinc/46/69/26/1342466926.db2.gz WFLHSHFNJXIYAT-UHFFFAOYSA-N 0 0 344.323 2.285 10 10 EECERN CC[C@H](C)C(=O)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001582936688 1344835025 /nfs/dbraw/zinc/83/50/25/1344835025.db2.gz XGQSVJFDTYPDDT-LBPRGKRZSA-N 0 0 347.419 2.426 10 10 EECERN COC(=O)c1coc(/C=C\C(=O)NCc2cccc(OC)c2O)c1 ZINC001622779106 1352389094 /nfs/dbraw/zinc/38/90/94/1352389094.db2.gz JCZOJSZTWCLUSR-SREVYHEPSA-N 0 0 331.324 2.110 10 10 EECERN CCOC(=O)Cc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001628607700 1352538533 /nfs/dbraw/zinc/53/85/33/1352538533.db2.gz AQPUIOMBOANRFM-UHFFFAOYSA-N 0 0 329.352 2.385 10 10 EECERN COc1nsc(OC)c1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001636066856 1352658077 /nfs/dbraw/zinc/65/80/77/1352658077.db2.gz WXBOMDZDRADMNK-MRVPVSSYSA-N 0 0 338.385 2.366 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ncn(C)c21 ZINC001638347919 1352687690 /nfs/dbraw/zinc/68/76/90/1352687690.db2.gz MWSZOKLXPRGVCI-LLVKDONJSA-N 0 0 325.368 2.346 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1NC(=O)CO2 ZINC001643341665 1352746506 /nfs/dbraw/zinc/74/65/06/1352746506.db2.gz AFANXIIAOLGQJY-FNORWQNLSA-N 0 0 326.308 2.081 10 10 EECERN Cc1nn(CC(F)F)c(C)c1C(=O)NCc1cc(O)ccc1O ZINC001644754252 1352768446 /nfs/dbraw/zinc/76/84/46/1352768446.db2.gz SZFYQHNPGJGFCC-UHFFFAOYSA-N 0 0 325.315 2.106 10 10 EECERN CC(C)(C)C(=O)NC1CCC(C(=O)NCc2c(O)cccc2O)CC1 ZINC001645362782 1352776945 /nfs/dbraw/zinc/77/69/45/1352776945.db2.gz CHLJPYAQHKLHNM-UHFFFAOYSA-N 0 0 348.443 2.435 10 10 EECERN CCCCS(=O)(=O)CC(=O)NCc1c(O)ccc2ccccc21 ZINC001647794764 1353402558 /nfs/dbraw/zinc/40/25/58/1353402558.db2.gz RFBVYWFKFOLBAP-UHFFFAOYSA-N 0 0 335.425 2.377 10 10 EECERN CCOC(=O)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC001650838651 1354031239 /nfs/dbraw/zinc/03/12/39/1354031239.db2.gz DJIKXQJUNOKMTL-LBPRGKRZSA-N 0 0 347.342 2.314 10 10 EECERN O=C(NCc1cccc(O)c1O)c1c(F)cccc1-n1cccn1 ZINC001651175667 1354042117 /nfs/dbraw/zinc/04/21/17/1354042117.db2.gz ICAUCRYWHIXYNO-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN Cc1nnc2n1CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]2C ZINC001671851732 1356425330 /nfs/dbraw/zinc/42/53/30/1356425330.db2.gz IZZKPUKDHASXFR-QWHCGFSZSA-N 0 0 342.447 2.500 10 10 EECERN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000780491438 758362400 /nfs/dbraw/zinc/36/24/00/758362400.db2.gz FAKOSPHLICFVEE-ONIAQPFYSA-N 0 0 331.412 2.325 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cncc(OCCO)n1 ZINC000840384993 782605758 /nfs/dbraw/zinc/60/57/58/782605758.db2.gz RKZWSLVOYMGEOO-AWEZNQCLSA-N 0 0 330.432 2.265 10 10 EECERN Cc1cc(C(=O)COC(=O)CC(N)=O)c(C)n1-c1cccc(C)c1 ZINC000840495097 782665860 /nfs/dbraw/zinc/66/58/60/782665860.db2.gz HRCVNNWUUFFCBC-UHFFFAOYSA-N 0 0 328.368 2.004 10 10 EECERN CN1CCc2ccc(S(=O)(=O)NCc3c(O)cccc3F)cc21 ZINC000921452169 773382635 /nfs/dbraw/zinc/38/26/35/773382635.db2.gz GJPNGNLYLQQEPO-UHFFFAOYSA-N 0 0 336.388 2.002 10 10 EECERN CCNC(=O)C1CN(Cc2cc(Br)cc(C)c2O)C1 ZINC000839139538 781395707 /nfs/dbraw/zinc/39/57/07/781395707.db2.gz VQNMCBGVMMTWSB-UHFFFAOYSA-N 0 0 327.222 2.031 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC000906714448 784097782 /nfs/dbraw/zinc/09/77/82/784097782.db2.gz TZNXWUWERPLTPL-GOSISDBHSA-N 0 0 338.411 2.265 10 10 EECERN CC[N@@H+]1CC[C@H]2OCCN(Cc3c([O-])ccc(Cl)c3F)[C@H]2C1 ZINC000816639327 784161975 /nfs/dbraw/zinc/16/19/75/784161975.db2.gz OIKMMFQYGFURGI-DZGCQCFKSA-N 0 0 328.815 2.480 10 10 EECERN CNC(=O)[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000817638572 784864650 /nfs/dbraw/zinc/86/46/50/784864650.db2.gz CCNJJYRDTDKRDW-ZDUSSCGKSA-N 0 0 331.441 2.364 10 10 EECERN COCC[C@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1 ZINC000907788843 784866669 /nfs/dbraw/zinc/86/66/69/784866669.db2.gz GAFIHJQKWJTWCR-INIZCTEOSA-N 0 0 337.397 2.238 10 10 EECERN COc1ccc(CNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)c(O)c1 ZINC000907925801 784969541 /nfs/dbraw/zinc/96/95/41/784969541.db2.gz IZIUMQJGJFBVLV-GLRZTSSQSA-N 0 0 327.380 2.110 10 10 EECERN COc1cnccc1[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168160 785443185 /nfs/dbraw/zinc/44/31/85/785443185.db2.gz MCHAFFWRVDWUPR-LBPRGKRZSA-N 0 0 341.367 2.321 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3cc(C)nc(C)n3)C2)cc1 ZINC000819587635 785598255 /nfs/dbraw/zinc/59/82/55/785598255.db2.gz GBEULXYDBXBHTK-OAHLLOKOSA-N 0 0 340.427 2.358 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1cn(C)nn1 ZINC000819979376 785728994 /nfs/dbraw/zinc/72/89/94/785728994.db2.gz VMPQMIBVYCCASY-UHFFFAOYSA-N 0 0 341.459 2.397 10 10 EECERN CCOC(=O)c1cc(CN2CCOc3cc(N(C)C)ccc32)on1 ZINC000820880257 786510833 /nfs/dbraw/zinc/51/08/33/786510833.db2.gz DLEDJWQWLPRUPY-UHFFFAOYSA-N 0 0 331.372 2.316 10 10 EECERN C[C@@H]1C[C@H](S(=O)(=O)NCCCSc2nccs2)CCO1 ZINC000830498613 787160164 /nfs/dbraw/zinc/16/01/64/787160164.db2.gz LMKFZVJVPFSFNW-GHMZBOCLSA-N 0 0 336.504 2.112 10 10 EECERN COc1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC000822611493 787286213 /nfs/dbraw/zinc/28/62/13/787286213.db2.gz CFGHXSPUUSAFPH-ZIAGYGMSSA-N 0 0 335.400 2.385 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3COCC3(C)C)C2)cc1 ZINC000823680204 787885895 /nfs/dbraw/zinc/88/58/95/787885895.db2.gz HPYXYEMLYFTJEB-YOEHRIQHSA-N 0 0 347.459 2.246 10 10 EECERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2cccc3c2OCCO3)c1 ZINC000922946350 788416964 /nfs/dbraw/zinc/41/69/64/788416964.db2.gz FYJQKHLVONVBKC-UHFFFAOYSA-N 0 0 330.340 2.404 10 10 EECERN Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)NCc1c(O)cccc1F ZINC000923089162 788801481 /nfs/dbraw/zinc/80/14/81/788801481.db2.gz CTVGVFRLWPJGFU-AWEZNQCLSA-N 0 0 345.374 2.107 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCn4cccc4C3)C2)cc1 ZINC000923184592 789072821 /nfs/dbraw/zinc/07/28/21/789072821.db2.gz CMCZMLGKJPXLNT-HNNXBMFYSA-N 0 0 340.427 2.301 10 10 EECERN COc1cc(CN2CCS(=O)(=O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000164350977 789154910 /nfs/dbraw/zinc/15/49/10/789154910.db2.gz OCOGKNCSOAYXEI-GFCCVEGCSA-N 0 0 341.473 2.317 10 10 EECERN O=C(NCc1nccn1CC(F)(F)F)NCc1c(O)cccc1F ZINC000916551401 797649142 /nfs/dbraw/zinc/64/91/42/797649142.db2.gz MKBAYBQYQUSJCZ-UHFFFAOYSA-N 0 0 346.284 2.290 10 10 EECERN COCCN(C[C@H]1CCC2(COC2)O1)c1ccc(OC)c(OC)c1 ZINC000929995065 798339227 /nfs/dbraw/zinc/33/92/27/798339227.db2.gz ACIJRKGPPFTPKA-OAHLLOKOSA-N 0 0 337.416 2.105 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064244013 798427737 /nfs/dbraw/zinc/42/77/37/798427737.db2.gz GSYUQVLAPMBBLQ-UHFFFAOYSA-N 0 0 341.414 2.201 10 10 EECERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2c(O)cccc2O)C1 ZINC001178917539 799699863 /nfs/dbraw/zinc/69/98/63/799699863.db2.gz QOULYJQGUSUMRQ-GFCCVEGCSA-N 0 0 348.399 2.328 10 10 EECERN COc1ccc(O)c(CNC(=O)Nc2ccc(OC(C)C)nn2)c1 ZINC000794309869 810759976 /nfs/dbraw/zinc/75/99/76/810759976.db2.gz YHXLVXNAGAIINL-UHFFFAOYSA-N 0 0 332.360 2.300 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)NCc3cnn(C)n3)c2C)cc1 ZINC000805212109 811195291 /nfs/dbraw/zinc/19/52/91/811195291.db2.gz BZJABVWDLQUBGJ-UHFFFAOYSA-N 0 0 339.399 2.161 10 10 EECERN Cc1cc(CCNC(=O)N(C)CCC(N)=O)c(C)n1-c1ccccc1 ZINC000806345686 811836886 /nfs/dbraw/zinc/83/68/86/811836886.db2.gz IPOGDYFLMUBIEL-UHFFFAOYSA-N 0 0 342.443 2.153 10 10 EECERN CSCCCCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807264363 812179043 /nfs/dbraw/zinc/17/90/43/812179043.db2.gz IZUJOSQBEFPXIP-CYBMUJFWSA-N 0 0 337.489 2.189 10 10 EECERN COc1ccccc1OCc1ccc(C(=O)OCC(=O)C(C)=O)o1 ZINC000808505562 812678560 /nfs/dbraw/zinc/67/85/60/812678560.db2.gz FWBFTEAXJWMBBI-UHFFFAOYSA-N 0 0 332.308 2.182 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000808510796 812682421 /nfs/dbraw/zinc/68/24/21/812682421.db2.gz IOBHMWDEHOSZPG-NWDGAFQWSA-N 0 0 325.158 2.254 10 10 EECERN CC(=O)C(=O)COC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000808510719 812682678 /nfs/dbraw/zinc/68/26/78/812682678.db2.gz FXQQOAVYGHYZJO-UHFFFAOYSA-N 0 0 347.758 2.113 10 10 EECERN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCC(=O)C(C)=O)O[C@H](C)C2 ZINC000808515504 812685660 /nfs/dbraw/zinc/68/56/60/812685660.db2.gz ICNQWTFJPVHFEK-RIEGTJTDSA-N 0 0 346.379 2.214 10 10 EECERN COc1ccc(-n2cc(C(=O)N(C)Cc3ccccc3O)nn2)cc1 ZINC001566304460 1125594554 /nfs/dbraw/zinc/59/45/54/1125594554.db2.gz HPHWYKXCWSKVEP-UHFFFAOYSA-N 0 0 338.367 2.254 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@H](O)c1ccc(Cl)cc1F ZINC001451768039 1097911312 /nfs/dbraw/zinc/91/13/12/1097911312.db2.gz MRGIGFBGTFWIKF-CQSZACIVSA-N 0 0 325.723 2.240 10 10 EECERN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C(=O)OC(C)(C)C ZINC001452244285 1098344359 /nfs/dbraw/zinc/34/43/59/1098344359.db2.gz NCRUGWGDDXWKKT-TZMCWYRMSA-N 0 0 349.427 2.467 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCOc3cccc1c32 ZINC001446879181 1101547464 /nfs/dbraw/zinc/54/74/64/1101547464.db2.gz IUTVQYZJIVEZPU-FNORWQNLSA-N 0 0 338.363 2.357 10 10 EECERN Cn1cc(C(F)F)c(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001454905650 1107918407 /nfs/dbraw/zinc/91/84/07/1107918407.db2.gz HHRZVCLAMXDQGL-UHFFFAOYSA-N 0 0 336.302 2.450 10 10 EECERN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001456233963 1109118221 /nfs/dbraw/zinc/11/82/21/1109118221.db2.gz GZSUVKPKHOUCSB-LBPRGKRZSA-N 0 0 336.388 2.114 10 10 EECERN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001463605877 1110377457 /nfs/dbraw/zinc/37/74/57/1110377457.db2.gz NXWUEHVIFBZINQ-GFCCVEGCSA-N 0 0 332.360 2.264 10 10 EECERN COc1ccc(CCNC(=O)c2c(F)ccc(O)c2O)c(OC)c1 ZINC001472496601 1110557735 /nfs/dbraw/zinc/55/77/35/1110557735.db2.gz IOISHWOVMGSVSU-UHFFFAOYSA-N 0 0 335.331 2.227 10 10 EECERN Cc1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001511901712 1118311320 /nfs/dbraw/zinc/31/13/20/1118311320.db2.gz NWAQRYSHUXAACK-LBPRGKRZSA-N 0 0 333.411 2.065 10 10 EECERN Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001540733836 1124092063 /nfs/dbraw/zinc/09/20/63/1124092063.db2.gz HBCOCGDOKOJEHK-UHFFFAOYSA-N 0 0 342.395 2.354 10 10 EECERN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092643744 533389785 /nfs/dbraw/zinc/38/97/85/533389785.db2.gz JUXADUULURUWTL-VIFPVBQESA-N 0 0 328.752 2.339 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000527756704 317257581 /nfs/dbraw/zinc/25/75/81/317257581.db2.gz FXVLPAMEXMKPRS-STQMWFEESA-N 0 0 330.222 2.093 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251541527 464936227 /nfs/dbraw/zinc/93/62/27/464936227.db2.gz DRLSGOHASNGHCE-RCCFBDPRSA-N 0 0 327.428 2.430 10 10 EECERN CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1cccs1 ZINC000100147574 463372452 /nfs/dbraw/zinc/37/24/52/463372452.db2.gz XJRANQXIHUQTAW-NTEUORMPSA-N 0 0 347.421 2.202 10 10 EECERN Cc1cnn([C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000180759269 464389486 /nfs/dbraw/zinc/38/94/86/464389486.db2.gz KKTLEXJPQVHRBK-ZKKXHLJNSA-N 0 0 327.384 2.480 10 10 EECERN COc1ccc(N2CCN(C[C@@H](O)CC(F)(F)F)CC2)cc1F ZINC000189535940 464527853 /nfs/dbraw/zinc/52/78/53/464527853.db2.gz URGJFYDQIWBGTF-LBPRGKRZSA-N 0 0 336.329 2.270 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCn2ncnc21 ZINC000177313094 464984424 /nfs/dbraw/zinc/98/44/24/464984424.db2.gz XDXZFLBCVKYVAP-INIZCTEOSA-N 0 0 340.431 2.213 10 10 EECERN CCOCc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)ccc1OC ZINC000363264299 466318011 /nfs/dbraw/zinc/31/80/11/466318011.db2.gz LCEPRLYOISGDTB-XYPHTWIQSA-N 0 0 332.444 2.331 10 10 EECERN C[C@@H]1CCOCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000375004906 466764934 /nfs/dbraw/zinc/76/49/34/466764934.db2.gz OUFDHSWHXCORAH-IEXSPKMKSA-N 0 0 330.428 2.174 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N3CN(C)C(=O)[C@@H]3C)ccc21 ZINC000648645718 470310306 /nfs/dbraw/zinc/31/03/06/470310306.db2.gz QDTFFGLCFZXWSU-AWEZNQCLSA-N 0 0 343.427 2.165 10 10 EECERN CC[C@H]1CCN1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000291686652 529241333 /nfs/dbraw/zinc/24/13/33/529241333.db2.gz FQVJRBXVIBHOHS-INIZCTEOSA-N 0 0 346.475 2.011 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000729471412 576656352 /nfs/dbraw/zinc/65/63/52/576656352.db2.gz XLUUFGBBXOLEKT-HZRUHFOJSA-N 0 0 334.372 2.380 10 10 EECERN CCc1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)no1 ZINC000775378487 577436189 /nfs/dbraw/zinc/43/61/89/577436189.db2.gz XRBVUVWRPYDUAP-UHFFFAOYSA-N 0 0 332.429 2.115 10 10 EECERN CN1CCCc2cc(CNC(=O)C3CN(CC(F)(F)F)C3)ccc21 ZINC000776343674 577458008 /nfs/dbraw/zinc/45/80/08/577458008.db2.gz VPDZZHGPGSYXEP-UHFFFAOYSA-N 0 0 341.377 2.179 10 10 EECERN COc1cc(N2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)ncn1 ZINC000764676980 577486532 /nfs/dbraw/zinc/48/65/32/577486532.db2.gz PJKKRQBHGKSIID-UHFFFAOYSA-N 0 0 345.422 2.013 10 10 EECERN COc1cc(O)c(CN2CC(=O)N(C(C)C)C(C)(C)C2)cc1OC ZINC000768466124 577556569 /nfs/dbraw/zinc/55/65/69/577556569.db2.gz MLQSZFVIQRTCNZ-UHFFFAOYSA-N 0 0 336.432 2.241 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N[C@@H](c3ccn(C)n3)C2=O)cc1 ZINC000761092004 577676436 /nfs/dbraw/zinc/67/64/36/577676436.db2.gz QISDFCLLMSLMIO-INIZCTEOSA-N 0 0 341.415 2.059 10 10 EECERN C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756589685 577847304 /nfs/dbraw/zinc/84/73/04/577847304.db2.gz ARVDYPDOPVSGQY-GFCCVEGCSA-N 0 0 328.368 2.481 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000757071246 577856063 /nfs/dbraw/zinc/85/60/63/577856063.db2.gz GETFLDUCKSPCOB-CYBMUJFWSA-N 0 0 343.431 2.448 10 10 EECERN O=C(CNC(=O)c1ccsc1)NCc1c(O)ccc2c1CCCC2 ZINC000743719743 577889282 /nfs/dbraw/zinc/88/92/82/577889282.db2.gz QROKICZTIFXSNR-UHFFFAOYSA-N 0 0 344.436 2.379 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@H](O)C2CCOCC2)cc1 ZINC000746105237 577922353 /nfs/dbraw/zinc/92/23/53/577922353.db2.gz RLYOEMPNNZFJMZ-GOSISDBHSA-N 0 0 334.460 2.279 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cnn(-c2ccccc2)n1 ZINC000747590201 577946654 /nfs/dbraw/zinc/94/66/54/577946654.db2.gz DRQHHWNADWJBTR-CLFYSBASSA-N 0 0 337.335 2.435 10 10 EECERN CSCCCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000736006393 578177746 /nfs/dbraw/zinc/17/77/46/578177746.db2.gz QSLGUCFSTMUMGE-OAHLLOKOSA-N 0 0 349.500 2.148 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCCN1CCCC1=O ZINC000120299480 674884846 /nfs/dbraw/zinc/88/48/46/674884846.db2.gz XICXBFROKOPUFS-UHFFFAOYSA-N 0 0 327.340 2.030 10 10 EECERN Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c(O)c1O ZINC000179499868 679835172 /nfs/dbraw/zinc/83/51/72/679835172.db2.gz BUEJWUDXUDQOGY-OAHLLOKOSA-N 0 0 340.379 2.332 10 10 EECERN CSC[C@H]1NC(=O)N([C@@H](C)Cc2ccc(N(C)C)cc2C)C1=O ZINC000924941193 681760788 /nfs/dbraw/zinc/76/07/88/681760788.db2.gz MNADWDCJKWAYTR-SWLSCSKDSA-N 0 0 335.473 2.275 10 10 EECERN COC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1 ZINC000897145346 686190277 /nfs/dbraw/zinc/19/02/77/686190277.db2.gz DXISLVFNGFWLBC-UHFFFAOYSA-N 0 0 337.397 2.238 10 10 EECERN Cc1c(C(=O)N[C@H](C)c2ccccc2O)nnn1Cc1ccncc1 ZINC001648889986 1176752753 /nfs/dbraw/zinc/75/27/53/1176752753.db2.gz VHFDRZSSMXGBDN-GFCCVEGCSA-N 0 0 337.383 2.226 10 10 EECERN CCO[C@H]1[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000905457479 1189735525 /nfs/dbraw/zinc/73/55/25/1189735525.db2.gz XDWWIBGYKBBHTQ-BMGDILEWSA-N 0 0 332.444 2.153 10 10 EECERN COC(=O)[C@@H]1CCC[C@@H](n2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864644429 1197862195 /nfs/dbraw/zinc/86/21/95/1197862195.db2.gz GBTGHWRAHVQWLV-IUODEOHRSA-N 0 0 330.388 2.344 10 10 EECERN COC(=O)c1cc(OCc2nc(C3CC3)nn2C)ccc1N(C)C ZINC000865394844 1198194669 /nfs/dbraw/zinc/19/46/69/1198194669.db2.gz CKJHINSKHLEYFD-UHFFFAOYSA-N 0 0 330.388 2.124 10 10 EECERN COC(=O)c1cc(OC[C@H]2CC3(CCC3)C(=O)O2)ccc1N(C)C ZINC000865395194 1198195138 /nfs/dbraw/zinc/19/51/38/1198195138.db2.gz MIKBVTUSPWSHRV-CYBMUJFWSA-N 0 0 333.384 2.404 10 10 EECERN CC(C)C[C@]1(C(=O)NCCCSc2nccs2)CCNC1=O ZINC000865784466 1198374527 /nfs/dbraw/zinc/37/45/27/1198374527.db2.gz YPBMSHPMVTZGOF-HNNXBMFYSA-N 0 0 341.502 2.294 10 10 EECERN CN(C)c1ccc(C=CCNCc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC000865866648 1198407477 /nfs/dbraw/zinc/40/74/77/1198407477.db2.gz OJCMQMMTCLQWGT-ONEGZZNKSA-N 0 0 340.427 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3nnc(C(C)(C)C)o3)C2)cc1 ZINC000866017963 1198456209 /nfs/dbraw/zinc/45/62/09/1198456209.db2.gz CUUDWYYMQSPYGY-LBPRGKRZSA-N 0 0 344.415 2.384 10 10 EECERN COc1ccccc1[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000870111480 1200477454 /nfs/dbraw/zinc/47/74/54/1200477454.db2.gz TYUSAQAEMRGTQH-MRXNPFEDSA-N 0 0 329.352 2.320 10 10 EECERN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1Cc2cccc(O)c2C1 ZINC000871202673 1201098005 /nfs/dbraw/zinc/09/80/05/1201098005.db2.gz LCGFTJGNWOGBGF-ZDUSSCGKSA-N 0 0 340.354 2.427 10 10 EECERN CCS(=O)(=O)c1cccc(CC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871203727 1201098101 /nfs/dbraw/zinc/09/81/01/1201098101.db2.gz FETTYAQTSRILDG-UHFFFAOYSA-N 0 0 345.420 2.271 10 10 EECERN CC(C)C[C@]1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCNC1=O ZINC000867503611 1201624395 /nfs/dbraw/zinc/62/43/95/1201624395.db2.gz NJKBUJYTPDHEER-AUUYWEPGSA-N 0 0 331.460 2.482 10 10 EECERN CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)N2CCn3nccc32)C1 ZINC000868151309 1201753477 /nfs/dbraw/zinc/75/34/77/1201753477.db2.gz PLAGHZFWYVVEPI-LMVHVUTASA-N 0 0 346.431 2.433 10 10 EECERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)[C@@]12CCCO2 ZINC000868500603 1201822974 /nfs/dbraw/zinc/82/29/74/1201822974.db2.gz UOZDUZMXVFNVKY-PTOXDTDZSA-N 0 0 334.416 2.479 10 10 EECERN C[C@H](NC(=O)N1CC(F)(F)C[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000780622071 1204924979 /nfs/dbraw/zinc/92/49/79/1204924979.db2.gz POKPSAJXFBOTCZ-SMDDNHRTSA-N 0 0 327.375 2.225 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cn(C)nc2C(N)=O)cc1 ZINC001275855780 1205567945 /nfs/dbraw/zinc/56/79/45/1205567945.db2.gz UOVPZZMEDTYLAF-UHFFFAOYSA-N 0 0 337.383 2.179 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1Cc1cc(C2CC2)no1 ZINC000925117343 1206071671 /nfs/dbraw/zinc/07/16/71/1206071671.db2.gz UYXJHAFDEHMHDG-UHFFFAOYSA-N 0 0 327.340 2.222 10 10 EECERN C[C@H](NC(=O)c1cncc(C=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000930743450 1206579271 /nfs/dbraw/zinc/57/92/71/1206579271.db2.gz DJZVMKFVBQJMOO-AWEZNQCLSA-N 0 0 339.395 2.222 10 10 EECERN Cn1cc([C@@H](NC(=O)NCc2c(O)cccc2F)C(F)(F)F)cn1 ZINC000931104036 1206607425 /nfs/dbraw/zinc/60/74/25/1206607425.db2.gz FNEXCKDQSKQADI-GFCCVEGCSA-N 0 0 346.284 2.368 10 10 EECERN O=C(/C=C/c1cnc2ccccc2n1)NCCc1ccc(O)c(O)c1 ZINC000156656946 1208357898 /nfs/dbraw/zinc/35/78/98/1208357898.db2.gz VGIJMCRSRKFINM-SOFGYWHQSA-N 0 0 335.363 2.413 10 10 EECERN C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000159564524 1208480208 /nfs/dbraw/zinc/48/02/08/1208480208.db2.gz LEDOQIIBZQLRPX-BDAKNGLRSA-N 0 0 327.768 2.040 10 10 EECERN COc1cc(N(C)Cc2cnc(N(C)C)nc2)c([N+](=O)[O-])cc1OC ZINC000779906088 1211637970 /nfs/dbraw/zinc/63/79/70/1211637970.db2.gz DFKSBTJFSRZPNF-UHFFFAOYSA-N 0 0 347.375 2.104 10 10 EECERN CC(C)(C)OC(=O)c1cnc(C(=O)NCc2ccccc2O)cn1 ZINC000801928267 1236455333 /nfs/dbraw/zinc/45/53/33/1236455333.db2.gz PBLQQOSLIGHSAL-UHFFFAOYSA-N 0 0 329.356 2.068 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCC[S@](=O)CC ZINC000802188653 1237078333 /nfs/dbraw/zinc/07/83/33/1237078333.db2.gz MQZIWFHGXMKLQM-JOCHJYFZSA-N 0 0 326.462 2.473 10 10 EECERN CO[C@@]1(CO)CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000826952897 1248224190 /nfs/dbraw/zinc/22/41/90/1248224190.db2.gz WOXMERKJBHAJOP-HNNXBMFYSA-N 0 0 344.249 2.436 10 10 EECERN O=C(NCc1cc(Br)ccc1O)Nc1nncs1 ZINC000796638372 1253275281 /nfs/dbraw/zinc/27/52/81/1253275281.db2.gz FXVYKLJJDFJQMN-UHFFFAOYSA-N 0 0 329.179 2.328 10 10 EECERN Cc1cncc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000851988510 1291944005 /nfs/dbraw/zinc/94/40/05/1291944005.db2.gz ZXNFHZDTJPAURN-UHFFFAOYSA-N 0 0 339.443 2.427 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cc(C)no3)C2)cc1 ZINC000852035706 1291964344 /nfs/dbraw/zinc/96/43/44/1291964344.db2.gz VSVRAOKXVVDAJN-CYBMUJFWSA-N 0 0 330.388 2.070 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]4COC[C@@H]43)C2)cc1 ZINC000852449022 1292116767 /nfs/dbraw/zinc/11/67/67/1292116767.db2.gz POTLDRHJALWZED-VKJFTORMSA-N 0 0 345.443 2.094 10 10 EECERN CNC(=O)C[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854848585 1292966063 /nfs/dbraw/zinc/96/60/63/1292966063.db2.gz MTOMUYQVCLBQQB-CYBMUJFWSA-N 0 0 327.428 2.277 10 10 EECERN CO[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 ZINC000854949881 1292998948 /nfs/dbraw/zinc/99/89/48/1292998948.db2.gz YXMCAMQWBSYHDX-KYJSFNMBSA-N 0 0 334.460 2.160 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](OC)C3CCC3)C2)cc1 ZINC000854981648 1293020127 /nfs/dbraw/zinc/02/01/27/1293020127.db2.gz XZYLHMVUHYSEHY-KDOFPFPSSA-N 0 0 332.444 2.453 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(C4CC4)cnn3C)C2)cc1 ZINC000855223835 1293116320 /nfs/dbraw/zinc/11/63/20/1293116320.db2.gz IKYOAJZFSHJZRK-CQSZACIVSA-N 0 0 340.427 2.315 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCCC(=O)NC(C)C)C2)cc1 ZINC000855228498 1293119772 /nfs/dbraw/zinc/11/97/72/1293119772.db2.gz BGMNDASNDPBVDX-OAHLLOKOSA-N 0 0 347.459 2.085 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3cccc(O)c3)C2)cc1 ZINC000855228025 1293119802 /nfs/dbraw/zinc/11/98/02/1293119802.db2.gz UDGMYUGVGXUCMP-HNNXBMFYSA-N 0 0 326.396 2.338 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccncc3C)C2)cc1 ZINC000855228058 1293119815 /nfs/dbraw/zinc/11/98/15/1293119815.db2.gz UQTDCTDPSNRBMY-MRXNPFEDSA-N 0 0 325.412 2.336 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnn4c3CCCC4)C2)cc1 ZINC000855233646 1293122893 /nfs/dbraw/zinc/12/28/93/1293122893.db2.gz JXAAYKCDDYQWGW-AWEZNQCLSA-N 0 0 340.427 2.237 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000856355718 1293495148 /nfs/dbraw/zinc/49/51/48/1293495148.db2.gz LKBLDORYBZKSNZ-MORRKMRCSA-N 0 0 331.290 2.291 10 10 EECERN CC(C)(C)OC(=O)C1(CNC(=O)c2c(F)ccc(O)c2O)CCC1 ZINC000857337914 1293796246 /nfs/dbraw/zinc/79/62/46/1293796246.db2.gz XKHHNLJAERDGHA-UHFFFAOYSA-N 0 0 339.363 2.479 10 10 EECERN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2cc(C)ccc2O)C1 ZINC000858368499 1294097385 /nfs/dbraw/zinc/09/73/85/1294097385.db2.gz BLFGVWCAMQJUDU-ZIAGYGMSSA-N 0 0 349.431 2.367 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)NCc2cnn(CC)n2)cc1 ZINC000858662144 1294184792 /nfs/dbraw/zinc/18/47/92/1294184792.db2.gz SXUGKBPZQQKZLJ-UHFFFAOYSA-N 0 0 344.463 2.486 10 10 EECERN O=C(COCC(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000860346604 1294935314 /nfs/dbraw/zinc/93/53/14/1294935314.db2.gz GATTZGRVUQONJG-CYBMUJFWSA-N 0 0 329.343 2.182 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(CCO)C2)c1 ZINC000860604952 1295031003 /nfs/dbraw/zinc/03/10/03/1295031003.db2.gz AIJHVBABQLKNFO-UHFFFAOYSA-N 0 0 326.396 2.361 10 10 EECERN O=C(CCCCc1c[nH]nn1)NCc1ccc2cccnc2c1O ZINC000862026843 1295659923 /nfs/dbraw/zinc/65/99/23/1295659923.db2.gz AMKOZTFAQUGWRW-UHFFFAOYSA-N 0 0 325.372 2.088 10 10 EECERN CC(C)(C)n1cnc(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC000862026746 1295660184 /nfs/dbraw/zinc/66/01/84/1295660184.db2.gz ZBFYEZMWGDOHBL-UHFFFAOYSA-N 0 0 325.372 2.217 10 10 EECERN COC(=O)[C@H](C[C@H]1CCCOC1)NCc1ccc(N(C)C)c(F)c1 ZINC000862516406 1295863826 /nfs/dbraw/zinc/86/38/26/1295863826.db2.gz QPLURXLWMLSLIS-ZBFHGGJFSA-N 0 0 338.423 2.340 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)c1 ZINC000862759132 1295952753 /nfs/dbraw/zinc/95/27/53/1295952753.db2.gz WYNGLNNJVPHDKU-HNNXBMFYSA-N 0 0 348.468 2.409 10 10 EECERN C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]2CCCC[C@H]12 ZINC001118941355 1308962595 /nfs/dbraw/zinc/96/25/95/1308962595.db2.gz AZCOFEDSUBWLRU-XPKDYRNWSA-N 0 0 328.412 2.272 10 10 EECERN Nc1ccc(CCNC(=O)N[C@H]2COc3ccc(F)cc3C2)cc1 ZINC000841906413 1315634655 /nfs/dbraw/zinc/63/46/55/1315634655.db2.gz PWRXOLBSJFTXHK-MRXNPFEDSA-N 0 0 329.375 2.253 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(F)ccc1O ZINC001142690889 1315705359 /nfs/dbraw/zinc/70/53/59/1315705359.db2.gz QKXFZHXBVYPEKZ-UHFFFAOYSA-N 0 0 347.342 2.442 10 10 EECERN Cc1nc2c(nccc2C(=O)NCc2ccc3cccnc3c2O)[nH]1 ZINC001142731149 1315718683 /nfs/dbraw/zinc/71/86/83/1315718683.db2.gz LSYTXZGCDFKOND-UHFFFAOYSA-N 0 0 333.351 2.450 10 10 EECERN CCC/C=C\[C@H](O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001150239990 1316212488 /nfs/dbraw/zinc/21/24/88/1316212488.db2.gz LYBPMPHNUFQVSP-KJPDOMRESA-N 0 0 336.407 2.200 10 10 EECERN COc1ccccc1[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 ZINC001151668078 1316577936 /nfs/dbraw/zinc/57/79/36/1316577936.db2.gz QZXOKVHBEVJYJP-GOSISDBHSA-N 0 0 343.379 2.249 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc2c(c1)NC(=O)CS2 ZINC001153879744 1316907082 /nfs/dbraw/zinc/90/70/82/1316907082.db2.gz WVKBVNORODQJEP-UHFFFAOYSA-N 0 0 330.365 2.072 10 10 EECERN O=C(NCCc1ccc(=O)[nH]c1)c1cc2cc(O)c(O)cc2s1 ZINC001157169510 1318456165 /nfs/dbraw/zinc/45/61/65/1318456165.db2.gz QIEUPYUOEIUPDL-UHFFFAOYSA-N 0 0 330.365 2.386 10 10 EECERN CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2cccc(O)c2O)n1 ZINC001261752107 1322172012 /nfs/dbraw/zinc/17/20/12/1322172012.db2.gz SISGTQSMLPBXNG-LBPRGKRZSA-N 0 0 347.371 2.451 10 10 EECERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H](O)[C@H](C)O)c1 ZINC001261886381 1322194166 /nfs/dbraw/zinc/19/41/66/1322194166.db2.gz BLSOYTPQVUAEJL-BLLLJJGKSA-N 0 0 336.819 2.219 10 10 EECERN Cn1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[nH]c1=O ZINC001264611086 1322750149 /nfs/dbraw/zinc/75/01/49/1322750149.db2.gz VXVCGBPYDAMSSZ-UHFFFAOYSA-N 0 0 347.330 2.153 10 10 EECERN COC(=O)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 ZINC001294885887 1329179876 /nfs/dbraw/zinc/17/98/76/1329179876.db2.gz HRFWFCUGXCJGEX-UHFFFAOYSA-N 0 0 332.360 2.407 10 10 EECERN O=C(Cc1ccnc(F)c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001291756583 1328330651 /nfs/dbraw/zinc/33/06/51/1328330651.db2.gz RNTSVDLLQMUJKZ-UHFFFAOYSA-N 0 0 347.365 2.055 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)nc[nH]c3=O)cc1F ZINC001292282753 1328380217 /nfs/dbraw/zinc/38/02/17/1328380217.db2.gz OYIWMLQUGPSUIC-UHFFFAOYSA-N 0 0 340.358 2.471 10 10 EECERN Cn1cnc(/C=C\C(=O)NCc2cccc(Br)c2O)c1 ZINC001297439835 1329972134 /nfs/dbraw/zinc/97/21/34/1329972134.db2.gz KBMHGSGCMBLEMJ-WAYWQWQTSA-N 0 0 336.189 2.218 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)c1 ZINC001301047499 1331287529 /nfs/dbraw/zinc/28/75/29/1331287529.db2.gz ZAPDKTCLXRMPKB-ZDUSSCGKSA-N 0 0 337.383 2.232 10 10 EECERN COC(=O)c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(F)c1 ZINC001301380448 1331297893 /nfs/dbraw/zinc/29/78/93/1331297893.db2.gz XUZQZTDBGGUUOI-CLTKARDFSA-N 0 0 345.326 2.353 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001324390972 1333672674 /nfs/dbraw/zinc/67/26/74/1333672674.db2.gz XJRSWHUUAAGKSJ-ZWKOTPCHSA-N 0 0 343.471 2.404 10 10 EECERN CC(C)OC[C@H]([NH2+]Cc1c(O)cccc1Br)C(=O)[O-] ZINC001329678433 1334694982 /nfs/dbraw/zinc/69/49/82/1334694982.db2.gz JCSVFYDXXSGKOS-NSHDSACASA-N 0 0 332.194 2.123 10 10 EECERN C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC001332338628 1335805280 /nfs/dbraw/zinc/80/52/80/1335805280.db2.gz GZWAZRNIFACETD-GOEBONIOSA-N 0 0 349.450 2.120 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C(C)(C)OC)cc1 ZINC001332628373 1335866697 /nfs/dbraw/zinc/86/66/97/1335866697.db2.gz PKVJOWIMWYVJNJ-CQSZACIVSA-N 0 0 349.475 2.079 10 10 EECERN COCc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000849309988 1339151911 /nfs/dbraw/zinc/15/19/11/1339151911.db2.gz PKIIGJUKKLOHQY-INIZCTEOSA-N 0 0 343.445 2.486 10 10 EECERN COc1ccc(N2CC[C@H](NS(=O)(=O)CC(C)(C)C)C2)cc1 ZINC000849416938 1339156283 /nfs/dbraw/zinc/15/62/83/1339156283.db2.gz ZICBSQHHRAXGHS-ZDUSSCGKSA-N 0 0 326.462 2.239 10 10 EECERN CC(=O)NCC1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001506632370 1342294735 /nfs/dbraw/zinc/29/47/35/1342294735.db2.gz JCZKYMQMNVDLIT-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001556157697 1342423255 /nfs/dbraw/zinc/42/32/55/1342423255.db2.gz HXJGZJYBVAABSF-ZUZCIYMTSA-N 0 0 331.372 2.033 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001556157523 1342423358 /nfs/dbraw/zinc/42/33/58/1342423358.db2.gz DAVMBEHVVVDHGS-NSHDSACASA-N 0 0 341.367 2.452 10 10 EECERN COc1ccc(/C=C/C(=O)NCc2cccc(O)c2O)cc1OC ZINC001558161042 1342466967 /nfs/dbraw/zinc/46/69/67/1342466967.db2.gz FNQHOHJJKJXZBQ-VQHVLOKHSA-N 0 0 329.352 2.445 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001558263871 1342471007 /nfs/dbraw/zinc/47/10/07/1342471007.db2.gz KNKMWGNKWHALLR-GXFFZTMASA-N 0 0 333.306 2.257 10 10 EECERN COCC[C@@H](COC)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001564870624 1342551138 /nfs/dbraw/zinc/55/11/38/1342551138.db2.gz GFRAQKNIJUEWQY-KRWDZBQOSA-N 0 0 349.475 2.480 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3ccn(C)n3)on2)c1 ZINC001595806437 1349895508 /nfs/dbraw/zinc/89/55/08/1349895508.db2.gz KNBLPUQBXOIDCL-SNVBAGLBSA-N 0 0 342.355 2.280 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ncn(C)c3n2)c1 ZINC001595799781 1349895527 /nfs/dbraw/zinc/89/55/27/1349895527.db2.gz IDYGLLGZSYMLIK-JTQLQIEISA-N 0 0 326.356 2.174 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H](c2cncn2C)N(C)C)cc1 ZINC001596577927 1349908707 /nfs/dbraw/zinc/90/87/07/1349908707.db2.gz DLMOTOULKIOKEL-SFHVURJKSA-N 0 0 343.475 2.185 10 10 EECERN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2Cl)C1 ZINC001626169308 1350682862 /nfs/dbraw/zinc/68/28/62/1350682862.db2.gz SBSYOAZUEVTUGG-YUTCNCBUSA-N 0 0 349.862 2.314 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC001623574325 1352400243 /nfs/dbraw/zinc/40/02/43/1352400243.db2.gz MPWGESFMGCNISG-UONOGXRCSA-N 0 0 342.432 2.468 10 10 EECERN Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccc(O)cc3O)c2n1 ZINC001626847583 1352475074 /nfs/dbraw/zinc/47/50/74/1352475074.db2.gz CVLNVILAWCDWKF-UHFFFAOYSA-N 0 0 348.309 2.317 10 10 EECERN Cc1c2ccccc2c(=O)oc1C(=O)NCc1ccc(O)cc1O ZINC001626850852 1352475532 /nfs/dbraw/zinc/47/55/32/1352475532.db2.gz YGJJDAXKYPFJIW-UHFFFAOYSA-N 0 0 325.320 2.443 10 10 EECERN Cn1c(CCNC(=O)Cc2ccc(O)c(O)c2)nc2c1cccc2F ZINC001628143345 1352523001 /nfs/dbraw/zinc/52/30/01/1352523001.db2.gz MXZSZDUNBCGBBB-UHFFFAOYSA-N 0 0 343.358 2.025 10 10 EECERN NC(=O)c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)[nH]1 ZINC001629943886 1352561028 /nfs/dbraw/zinc/56/10/28/1352561028.db2.gz UEFQKAYKRSAEST-UHFFFAOYSA-N 0 0 339.351 2.255 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCc1ccnn1-c1ccccc1 ZINC001638566211 1352689787 /nfs/dbraw/zinc/68/97/87/1352689787.db2.gz GFCCBZLKSPAKCI-UHFFFAOYSA-N 0 0 337.379 2.185 10 10 EECERN COC(=O)c1cnc(SCc2nc3ccccc3c(=O)n2C)s1 ZINC001641152484 1352718743 /nfs/dbraw/zinc/71/87/43/1352718743.db2.gz ZGUBIXSTBNGLEJ-UHFFFAOYSA-N 0 0 347.421 2.469 10 10 EECERN CCn1c(Br)ncc1C(=O)NCc1cc(O)ccc1O ZINC001644753487 1352768040 /nfs/dbraw/zinc/76/80/40/1352768040.db2.gz ALCACNOQFRLOKB-UHFFFAOYSA-N 0 0 340.177 2.007 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001647270656 1353213384 /nfs/dbraw/zinc/21/33/84/1353213384.db2.gz VZVBTNFUDLCRFQ-OAHLLOKOSA-N 0 0 341.411 2.021 10 10 EECERN CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2c(O)cccc2O)CC1(C)C ZINC001647291362 1353220555 /nfs/dbraw/zinc/22/05/55/1353220555.db2.gz YQYJDTYKBDSCRQ-SFHVURJKSA-N 0 0 335.400 2.472 10 10 EECERN COc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1[N+](=O)[O-] ZINC001648479118 1353431503 /nfs/dbraw/zinc/43/15/03/1353431503.db2.gz MBRMQYZGXXQWBY-UHFFFAOYSA-N 0 0 336.275 2.084 10 10 EECERN CCN(Cc1cc(Br)ccc1O)[C@@H]1CON(CC)C1=O ZINC001652595692 1354096685 /nfs/dbraw/zinc/09/66/85/1354096685.db2.gz LPSRHTKVYNREJC-GFCCVEGCSA-N 0 0 343.221 2.139 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc3nonc3c2)c1 ZINC001685598792 1358337854 /nfs/dbraw/zinc/33/78/54/1358337854.db2.gz ZMCYBOOBLOKMFZ-SNVBAGLBSA-N 0 0 342.355 2.497 10 10 EECERN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000780491435 758362346 /nfs/dbraw/zinc/36/23/46/758362346.db2.gz FAKOSPHLICFVEE-ATLSCFEFSA-N 0 0 331.412 2.325 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000918746398 769366001 /nfs/dbraw/zinc/36/60/01/769366001.db2.gz YAGBELKFEDLFKA-GUYCJALGSA-N 0 0 334.416 2.405 10 10 EECERN CN(C(=O)CNC(=O)NCc1c(O)cccc1F)C1CCCCC1 ZINC000921314481 773271705 /nfs/dbraw/zinc/27/17/05/773271705.db2.gz TYTYIJFZVBLULF-UHFFFAOYSA-N 0 0 337.395 2.122 10 10 EECERN CO[C@H](CS(=O)(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000921451512 773382540 /nfs/dbraw/zinc/38/25/40/773382540.db2.gz QVGCILOXYGDFEQ-MRXNPFEDSA-N 0 0 339.388 2.338 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(C)c2C(F)(F)F)c1 ZINC000907061271 784359298 /nfs/dbraw/zinc/35/92/98/784359298.db2.gz UFMWLOKCUXLUNN-SSDOTTSWSA-N 0 0 344.293 2.039 10 10 EECERN C/C=C\[C@H](O)C(=O)Nc1ccc(N2CCC(O)CC2)cc1OCCC ZINC000907762624 784846038 /nfs/dbraw/zinc/84/60/38/784846038.db2.gz DRRSBGJLEQQVLH-IVZVJUQRSA-N 0 0 348.443 2.312 10 10 EECERN O=C(NCCNC(=O)c1cc2cc(O)c(O)cc2s1)c1ccco1 ZINC001136147956 785266924 /nfs/dbraw/zinc/26/69/24/785266924.db2.gz AMBCDNRGBFUSTF-UHFFFAOYSA-N 0 0 346.364 2.065 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)CCc3ccnn3C)C2)cc1 ZINC000819588183 785597147 /nfs/dbraw/zinc/59/71/47/785597147.db2.gz KSMRMYDMUODYBQ-OAHLLOKOSA-N 0 0 342.443 2.004 10 10 EECERN COC(=O)c1cncc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000819935995 785732115 /nfs/dbraw/zinc/73/21/15/785732115.db2.gz PRXJTOYHBUOVRV-CYBMUJFWSA-N 0 0 342.399 2.210 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3CCO[C@H](C)CC3)C2)cc1 ZINC000922950215 788425391 /nfs/dbraw/zinc/42/53/91/788425391.db2.gz FOEGQKNHPUSVRF-HZPDHXFCSA-N 0 0 347.459 2.342 10 10 EECERN Cc1ccc(O)c(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c1 ZINC000912999951 788537265 /nfs/dbraw/zinc/53/72/65/788537265.db2.gz APGPKXSSEJAMNO-SNVBAGLBSA-N 0 0 326.607 2.438 10 10 EECERN C[C@@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000923045209 788701203 /nfs/dbraw/zinc/70/12/03/788701203.db2.gz OVGGSOASUKBOJA-RHSMWYFYSA-N 0 0 348.443 2.069 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2ccnn2C)c1O ZINC000844461355 789134208 /nfs/dbraw/zinc/13/42/08/789134208.db2.gz COXTULSMXCAVNR-INIZCTEOSA-N 0 0 333.363 2.041 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(C)cnc2C)c1 ZINC000845857951 789967515 /nfs/dbraw/zinc/96/75/15/789967515.db2.gz XBJPKCSILGGTBT-NSHDSACASA-N 0 0 343.383 2.229 10 10 EECERN COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000171357260 797634806 /nfs/dbraw/zinc/63/48/06/797634806.db2.gz NKLXMYLXJPJMBQ-DLBZAZTESA-N 0 0 330.428 2.444 10 10 EECERN CCN(CCC(N)=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000917617287 798297461 /nfs/dbraw/zinc/29/74/61/798297461.db2.gz WPQJLOIDDBGFIK-UHFFFAOYSA-N 0 0 338.427 2.079 10 10 EECERN COC(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001176533599 798483543 /nfs/dbraw/zinc/48/35/43/798483543.db2.gz JQRUXCGQODZTTA-UHFFFAOYSA-N 0 0 341.363 2.406 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001176748560 798547436 /nfs/dbraw/zinc/54/74/36/798547436.db2.gz WRJFWJLFABPNOY-HZPDHXFCSA-N 0 0 346.427 2.143 10 10 EECERN O=C1C[C@@H](CC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CN1 ZINC000922782090 801870244 /nfs/dbraw/zinc/87/02/44/801870244.db2.gz SOVXMJYIXZNQBA-MRVPVSSYSA-N 0 0 347.640 2.424 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000786996031 806958699 /nfs/dbraw/zinc/95/86/99/806958699.db2.gz FLIYBLYIQBBOBK-HWWDLCQESA-N 0 0 347.434 2.385 10 10 EECERN Cc1cc(C)n(CCC(=O)N2CCOc3ccc(N(C)C)cc3C2)n1 ZINC000581789774 803099567 /nfs/dbraw/zinc/09/95/67/803099567.db2.gz NSHCJCNOEGRYRU-UHFFFAOYSA-N 0 0 342.443 2.377 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NOCC(F)(F)F ZINC000805218254 811199148 /nfs/dbraw/zinc/19/91/48/811199148.db2.gz VPMVUBIRNKSOFJ-UHFFFAOYSA-N 0 0 343.099 2.448 10 10 EECERN C[C@@H](CO)CCCNC(=O)NCc1cc(Br)ccc1O ZINC000807032308 812067148 /nfs/dbraw/zinc/06/71/48/812067148.db2.gz YANSMQVKQGGIGH-SNVBAGLBSA-N 0 0 345.237 2.363 10 10 EECERN C[C@@H](NC(=O)NC[C@@H](CO)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000807139981 812111045 /nfs/dbraw/zinc/11/10/45/812111045.db2.gz ISWKJOJTDYVTDU-PBHICJAKSA-N 0 0 342.443 2.284 10 10 EECERN O=C(Cc1nc(C(F)(F)F)cs1)NCc1ccc(O)c(O)c1 ZINC001566359719 1125596899 /nfs/dbraw/zinc/59/68/99/1125596899.db2.gz LHKZUEJFOSZWHI-UHFFFAOYSA-N 0 0 332.303 2.432 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](N2CCCC2=O)CC1 ZINC001451417147 1097634484 /nfs/dbraw/zinc/63/44/84/1097634484.db2.gz LRHNIHQUGPXWNI-LYASGUKUSA-N 0 0 344.411 2.115 10 10 EECERN CS(=O)(=O)c1ccccc1C(=O)NCc1cc(Cl)ccc1O ZINC001452945167 1105804964 /nfs/dbraw/zinc/80/49/64/1105804964.db2.gz LGKPMOFYKQOZBC-UHFFFAOYSA-N 0 0 339.800 2.379 10 10 EECERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H](C)c1ccccc1O ZINC001454817671 1107711878 /nfs/dbraw/zinc/71/18/78/1107711878.db2.gz KQSPCMPRUUDHQY-VIFPVBQESA-N 0 0 327.340 2.032 10 10 EECERN Cn1cnc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)nc21 ZINC001464076872 1110386839 /nfs/dbraw/zinc/38/68/39/1110386839.db2.gz SSDHNWMACDDUDP-UHFFFAOYSA-N 0 0 335.411 2.499 10 10 EECERN Cn1c(CNC(=O)c2cc3cc(O)c(O)cc3s2)nnc1C1CC1 ZINC001466528766 1110437762 /nfs/dbraw/zinc/43/77/62/1110437762.db2.gz TTZPTQBBDLHUEM-UHFFFAOYSA-N 0 0 344.396 2.248 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001466790296 1110443634 /nfs/dbraw/zinc/44/36/34/1110443634.db2.gz FKNPRHXDUXOOSJ-LLVKDONJSA-N 0 0 342.395 2.438 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc2cnccc2s1 ZINC001466791693 1110443661 /nfs/dbraw/zinc/44/36/61/1110443661.db2.gz XUCFPTIZGZJQAC-SECBINFHSA-N 0 0 329.381 2.464 10 10 EECERN COc1ccc(CNC(=O)c2ccc(-n3cc[nH]c3=O)cc2)c(O)c1 ZINC001467471632 1110456960 /nfs/dbraw/zinc/45/69/60/1110456960.db2.gz MFQMRTUANVHNJU-UHFFFAOYSA-N 0 0 339.351 2.222 10 10 EECERN Cc1ccc(C(=O)NCc2nnc3ccc(Cl)cn32)c(O)c1O ZINC001470343635 1110505145 /nfs/dbraw/zinc/50/51/45/1110505145.db2.gz HEPNVOCZEYQGDF-UHFFFAOYSA-N 0 0 332.747 2.032 10 10 EECERN CC(C)C[C@@H](C(=O)NCc1cc(O)ccc1O)N1CCCCC1=O ZINC001471661094 1110527677 /nfs/dbraw/zinc/52/76/77/1110527677.db2.gz HVGBGAUICHMKAS-HNNXBMFYSA-N 0 0 334.416 2.141 10 10 EECERN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC001472256866 1110550033 /nfs/dbraw/zinc/55/00/33/1110550033.db2.gz WVVMEYGGZLKJRQ-CYBMUJFWSA-N 0 0 329.352 2.002 10 10 EECERN CCN1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1=O ZINC001521584164 1119262649 /nfs/dbraw/zinc/26/26/49/1119262649.db2.gz VINDNADPJFCKGS-UHFFFAOYSA-N 0 0 339.439 2.327 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cc(C(=O)OC)on2)cc1 ZINC001534245420 1123308216 /nfs/dbraw/zinc/30/82/16/1123308216.db2.gz CLDHHEPZUZUMMV-UHFFFAOYSA-N 0 0 331.372 2.237 10 10 EECERN C[C@@H]1CCCN(S(=O)(=O)NCCCSc2nccs2)C1 ZINC000069658279 203033224 /nfs/dbraw/zinc/03/32/24/203033224.db2.gz VLGXJFDZJQBEKW-LLVKDONJSA-N 0 0 335.520 2.192 10 10 EECERN COc1cccc(CNC(=O)[C@@H]2CCCN2CC(F)(F)F)c1O ZINC000291592996 533504388 /nfs/dbraw/zinc/50/43/88/533504388.db2.gz BWZQMCIGGFOVLN-NSHDSACASA-N 0 0 332.322 2.044 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCCC4(CCOCC4)C3)cc2N1 ZINC000370539445 304642986 /nfs/dbraw/zinc/64/29/86/304642986.db2.gz MDLIXRLETVXNIA-UHFFFAOYSA-N 0 0 347.371 2.323 10 10 EECERN CCC(=O)N1CSC[C@@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000076204709 462822362 /nfs/dbraw/zinc/82/23/62/462822362.db2.gz QFQHISHZJMYUKJ-MRXNPFEDSA-N 0 0 349.500 2.413 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000133855702 462977789 /nfs/dbraw/zinc/97/77/89/462977789.db2.gz DMJVUISXAVPEPE-MRXNPFEDSA-N 0 0 325.412 2.445 10 10 EECERN Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)o1 ZINC000171108275 463788327 /nfs/dbraw/zinc/78/83/27/463788327.db2.gz ZORGGSUSBNQVFF-SNVBAGLBSA-N 0 0 338.385 2.156 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC1CCCCC1 ZINC000283484921 463902471 /nfs/dbraw/zinc/90/24/71/463902471.db2.gz GLYOCYUHZIHGBP-UHFFFAOYSA-N 0 0 341.455 2.376 10 10 EECERN COC[C@@H](O)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000269477542 463997195 /nfs/dbraw/zinc/99/71/95/463997195.db2.gz ALRTXXBYORZIMD-KRWDZBQOSA-N 0 0 330.428 2.448 10 10 EECERN COc1c([O-])c(C[NH2+]Cc2ccc(CO)c(F)c2)ccc1[N+](=O)[O-] ZINC000278880638 464005416 /nfs/dbraw/zinc/00/54/16/464005416.db2.gz ODTKDMBJGMQOKM-UHFFFAOYSA-N 0 0 336.319 2.230 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN(c2ccccn2)CC1 ZINC000180657395 464361710 /nfs/dbraw/zinc/36/17/10/464361710.db2.gz GOBYWEBUBQGEEC-FNORWQNLSA-N 0 0 339.395 2.291 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1O ZINC000175652261 464595543 /nfs/dbraw/zinc/59/55/43/464595543.db2.gz GVLBMPBVYQJUEF-INIZCTEOSA-N 0 0 347.390 2.140 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2nc(N)n(C)n2)c1O ZINC000295463591 464845459 /nfs/dbraw/zinc/84/54/59/464845459.db2.gz XKQWSLDYSCCBEE-ZDUSSCGKSA-N 0 0 349.822 2.296 10 10 EECERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cccc(O)c1O ZINC000373888434 466956825 /nfs/dbraw/zinc/95/68/25/466956825.db2.gz WEAXKVPAFSEARX-OLZOCXBDSA-N 0 0 332.400 2.009 10 10 EECERN COc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000529671653 467894212 /nfs/dbraw/zinc/89/42/12/467894212.db2.gz HSOQMYFYDYFZDZ-OLZOCXBDSA-N 0 0 345.848 2.206 10 10 EECERN CCOC(=O)[C@H](CC1CC1)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775052403 577427997 /nfs/dbraw/zinc/42/79/97/577427997.db2.gz CDOPEBWLRAWIOH-LBPRGKRZSA-N 0 0 338.360 2.130 10 10 EECERN COCc1nc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)co1 ZINC000775807754 577446445 /nfs/dbraw/zinc/44/64/45/577446445.db2.gz VOWYPIWEXBNFMV-UHFFFAOYSA-N 0 0 345.399 2.182 10 10 EECERN COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000776744647 577466956 /nfs/dbraw/zinc/46/69/56/577466956.db2.gz MQMKXHZFWYUVLJ-NYYWCZLTSA-N 0 0 333.365 2.379 10 10 EECERN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(C)nc2)C1 ZINC000754375132 577805245 /nfs/dbraw/zinc/80/52/45/577805245.db2.gz HCGCAGZRZNNWFG-HJCTWCACSA-N 0 0 335.407 2.497 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@@]2(CCO)CCOC2)cc1 ZINC000177599519 675923396 /nfs/dbraw/zinc/92/33/96/675923396.db2.gz ZUTSLXLKENSDPC-LJQANCHMSA-N 0 0 349.475 2.121 10 10 EECERN Cc1cc(C(=O)NCc2cc(Br)ccc2O)c(C)nn1 ZINC000804740439 675612493 /nfs/dbraw/zinc/61/24/93/675612493.db2.gz HBGQPWUIIFTLPZ-UHFFFAOYSA-N 0 0 336.189 2.492 10 10 EECERN CCc1ncncc1C(=O)NCc1cc(Br)ccc1O ZINC000804739516 675612660 /nfs/dbraw/zinc/61/26/60/675612660.db2.gz IBEGPVDOIKYWOB-UHFFFAOYSA-N 0 0 336.189 2.437 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCc2nc3c(s2)COCC3)c1 ZINC000927694156 681467543 /nfs/dbraw/zinc/46/75/43/681467543.db2.gz CAGOHZUSEBUSDK-UHFFFAOYSA-N 0 0 333.413 2.229 10 10 EECERN CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000895614972 684663892 /nfs/dbraw/zinc/66/38/92/684663892.db2.gz XJQNCTDOYNGJHX-UHFFFAOYSA-N 0 0 346.880 2.386 10 10 EECERN Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccn1C ZINC000195000734 684983991 /nfs/dbraw/zinc/98/39/91/684983991.db2.gz VUPFTEUESIPPQK-UHFFFAOYSA-N 0 0 327.428 2.442 10 10 EECERN CCCN1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000897529906 691069788 /nfs/dbraw/zinc/06/97/88/691069788.db2.gz YCCKCZZKIWRCNI-UHFFFAOYSA-N 0 0 348.424 2.397 10 10 EECERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCC(=O)N(C)C1 ZINC000897835840 691798118 /nfs/dbraw/zinc/79/81/18/691798118.db2.gz JOAOQDAWYNREOJ-SNVBAGLBSA-N 0 0 334.397 2.005 10 10 EECERN CC(=O)c1cn(C2CN(C/C=C\c3ccc(N(C)C)cc3)C2)nn1 ZINC000897940684 691829950 /nfs/dbraw/zinc/82/99/50/691829950.db2.gz WTIVNRLJLDCNLV-PLNGDYQASA-N 0 0 325.416 2.117 10 10 EECERN Nc1ccc(F)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000327079716 1176121317 /nfs/dbraw/zinc/12/13/17/1176121317.db2.gz VLVWCPCERZMTTN-UHFFFAOYSA-N 0 0 347.365 2.314 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](O)c1cnc[nH]1 ZINC000864636994 1197856651 /nfs/dbraw/zinc/85/66/51/1197856651.db2.gz DRFHCYDTWTUPGK-QGZVFWFLSA-N 0 0 328.416 2.092 10 10 EECERN COC[C@@H]1CCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000814364597 1199446612 /nfs/dbraw/zinc/44/66/12/1199446612.db2.gz INXQSMJCRZZKAA-PBHICJAKSA-N 0 0 333.432 2.015 10 10 EECERN O=C(C=Cc1cnc2ccccc2n1)N1CCCc2c(=O)[nH]cnc21 ZINC001132783781 1200023894 /nfs/dbraw/zinc/02/38/94/1200023894.db2.gz VHNZDCFAOJDIAU-FPLPWBNLSA-N 0 0 333.351 2.118 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@@](C)(CO)C(C)C)CC2)cc1 ZINC000812024811 1200466196 /nfs/dbraw/zinc/46/61/96/1200466196.db2.gz TURKMWQSNKHAMR-IBGZPJMESA-N 0 0 349.475 2.370 10 10 EECERN COc1ccc([C@H]2CN(C(=O)c3cccc(O)c3O)CCO2)cc1 ZINC000870101356 1200469400 /nfs/dbraw/zinc/46/94/00/1200469400.db2.gz NCOUDNZBVORVCA-MRXNPFEDSA-N 0 0 329.352 2.320 10 10 EECERN C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(Br)cc1O ZINC000826096992 1200884380 /nfs/dbraw/zinc/88/43/80/1200884380.db2.gz LCQDOYNXNRBRMV-GWCFXTLKSA-N 0 0 330.222 2.126 10 10 EECERN COCCn1ncc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1C ZINC000866762992 1201600541 /nfs/dbraw/zinc/60/05/41/1201600541.db2.gz BPONTFGIQXYPDS-LLVKDONJSA-N 0 0 333.388 2.043 10 10 EECERN CC(C)C[C@]1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCNC1=O ZINC000867503612 1201624191 /nfs/dbraw/zinc/62/41/91/1201624191.db2.gz NJKBUJYTPDHEER-IFXJQAMLSA-N 0 0 331.460 2.482 10 10 EECERN CO[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000868130623 1201749850 /nfs/dbraw/zinc/74/98/50/1201749850.db2.gz PBVSQZUWYDRWPQ-YJBOKZPZSA-N 0 0 347.459 2.232 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](OC)CC[C@H]3C)C2)cc1 ZINC000868761258 1201874023 /nfs/dbraw/zinc/87/40/23/1201874023.db2.gz AQKVUHOIGBGURQ-VKJFTORMSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](C)O[C@@H]3C)C2)cc1 ZINC000868762437 1201874318 /nfs/dbraw/zinc/87/43/18/1201874318.db2.gz OHXLLPAEHVTJQJ-VWPFQQQWSA-N 0 0 333.432 2.139 10 10 EECERN C[C@@H](NC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1ccccc1O ZINC000868784399 1201878873 /nfs/dbraw/zinc/87/88/73/1201878873.db2.gz HMGQMJGBWDFZFW-KGLIPLIRSA-N 0 0 346.431 2.043 10 10 EECERN CCN1C(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C(=O)C1(C)C ZINC000924980323 1206058019 /nfs/dbraw/zinc/05/80/19/1206058019.db2.gz VEUDQMPHEVHNOE-AWEZNQCLSA-N 0 0 331.416 2.337 10 10 EECERN COC(=O)/C(C)=C/CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000925026215 1206062073 /nfs/dbraw/zinc/06/20/73/1206062073.db2.gz GZUZRFBZXLKKKN-FMIVXFBMSA-N 0 0 332.400 2.190 10 10 EECERN CO[C@@]1(CNC(=O)NCc2cc(Cl)ccc2O)CCSC1 ZINC000925377869 1206104250 /nfs/dbraw/zinc/10/42/50/1206104250.db2.gz TZFSPTCHJWOGRK-CQSZACIVSA-N 0 0 330.837 2.367 10 10 EECERN COC(C)(C)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000925495589 1206119160 /nfs/dbraw/zinc/11/91/60/1206119160.db2.gz ZHPOECNPOLOMKI-HNNXBMFYSA-N 0 0 349.475 2.478 10 10 EECERN C[C@H](NC(=O)NCC1(C2(O)CCOCC2)CC1)c1ccccc1O ZINC000925664639 1206141475 /nfs/dbraw/zinc/14/14/75/1206141475.db2.gz FVBCVOHLOMZNBL-ZDUSSCGKSA-N 0 0 334.416 2.074 10 10 EECERN O=C(c1cccc(O)c1O)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000927235381 1206246490 /nfs/dbraw/zinc/24/64/90/1206246490.db2.gz LRDDKSPTEGQUOH-KUHUBIRLSA-N 0 0 325.364 2.138 10 10 EECERN COc1cccc(CNC(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000927439615 1206264870 /nfs/dbraw/zinc/26/48/70/1206264870.db2.gz BSURKZNQMOFUNY-HOCLYGCPSA-N 0 0 334.416 2.405 10 10 EECERN C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000159564678 1208480383 /nfs/dbraw/zinc/48/03/83/1208480383.db2.gz LEDOQIIBZQLRPX-IUCAKERBSA-N 0 0 327.768 2.040 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1COc2ccccc2O1 ZINC000779491640 1210395984 /nfs/dbraw/zinc/39/59/84/1210395984.db2.gz RTOZHPORYLYQLU-STMXVASLSA-N 0 0 327.336 2.067 10 10 EECERN O=C1CN(Cc2c(O)ccc3ccncc32)CCN1CC(F)(F)F ZINC000795726536 1215024049 /nfs/dbraw/zinc/02/40/49/1215024049.db2.gz OSRUVFCNEMIPBL-UHFFFAOYSA-N 0 0 339.317 2.147 10 10 EECERN Cn1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c(C2CCCC2)n1 ZINC000901442452 1235805180 /nfs/dbraw/zinc/80/51/80/1235805180.db2.gz JXWKBAKXOOUBJT-UVTDQMKNSA-N 0 0 346.456 2.380 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)CCC[C@@H]2CCOC2)cc1F ZINC000827071748 1249782962 /nfs/dbraw/zinc/78/29/62/1249782962.db2.gz IPZCVHMCCUXIKH-CYBMUJFWSA-N 0 0 344.452 2.128 10 10 EECERN C[C@H](NC(=O)NCC(C)(C)[C@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000826947980 1248153768 /nfs/dbraw/zinc/15/37/68/1248153768.db2.gz ZVRLLEWOLGVVMF-LIRRHRJNSA-N 0 0 349.475 2.290 10 10 EECERN CCS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000850397989 1277213333 /nfs/dbraw/zinc/21/33/33/1277213333.db2.gz NEYDGKDLNILFQN-UHFFFAOYSA-N 0 0 348.808 2.011 10 10 EECERN C[C@H]1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)O1 ZINC000852004625 1291950106 /nfs/dbraw/zinc/95/01/06/1291950106.db2.gz ITNWMDUYDPFYCQ-MAUKXSAKSA-N 0 0 347.459 2.280 10 10 EECERN CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852452296 1292117506 /nfs/dbraw/zinc/11/75/06/1292117506.db2.gz UWYGQDKELUINMP-QAPCUYQASA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)O[C@H](C)[C@H]3C)C2)cc1 ZINC000852451944 1292117586 /nfs/dbraw/zinc/11/75/86/1292117586.db2.gz RJISWTWKKXPNHV-JJXSEGSLSA-N 0 0 347.459 2.481 10 10 EECERN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@](C)(C(F)F)O1 ZINC000853630700 1292427560 /nfs/dbraw/zinc/42/75/60/1292427560.db2.gz HOGRWZCJLQYCKB-FMGDLQRFSA-N 0 0 329.343 2.063 10 10 EECERN O=C(NCCCSc1nccs1)N[C@H]1C[C@H](O)C12CCC2 ZINC000853857619 1292491731 /nfs/dbraw/zinc/49/17/31/1292491731.db2.gz HHMNETYAJJPUJW-QWRGUYRKSA-N 0 0 327.475 2.228 10 10 EECERN C[C@@H](NC(=O)N1CC[C@H](Cn2ccnn2)C1)c1ccc(N(C)C)cc1 ZINC000854004763 1292579092 /nfs/dbraw/zinc/57/90/92/1292579092.db2.gz VQOCHFIAFXNKJQ-CABCVRRESA-N 0 0 342.447 2.137 10 10 EECERN O=C([O-])[C@]12COC[C@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000854241552 1292683875 /nfs/dbraw/zinc/68/38/75/1292683875.db2.gz OYRBZXSDNZCDRB-VQIMIIECSA-N 0 0 330.428 2.210 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCC[C@@H]3O)C2)cc1 ZINC000854296853 1292708001 /nfs/dbraw/zinc/70/80/01/1292708001.db2.gz HCSFJTCHQWCKGC-VKJFTORMSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@](C)(O)CC3)C2)cc1 ZINC000854297052 1292708777 /nfs/dbraw/zinc/70/87/77/1292708777.db2.gz JBKMZHUXSDPLSR-HNAYVOBHSA-N 0 0 347.459 2.220 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCCO[C@@H](C)C3)C2)cc1 ZINC000854300792 1292712682 /nfs/dbraw/zinc/71/26/82/1292712682.db2.gz AJCAALMQYLGPDG-GJZGRUSLSA-N 0 0 333.432 2.094 10 10 EECERN Cc1cc(CC(=O)NC2(C(=O)N(C)C)CC2)c(C)n1-c1ccccc1 ZINC000854932763 1292992684 /nfs/dbraw/zinc/99/26/84/1292992684.db2.gz SDYPXCJIRJLZGS-UHFFFAOYSA-N 0 0 339.439 2.374 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000854987251 1293020942 /nfs/dbraw/zinc/02/09/42/1293020942.db2.gz AHLXANOFHBAFBN-YOEHRIQHSA-N 0 0 349.427 2.489 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000855144885 1293085060 /nfs/dbraw/zinc/08/50/60/1293085060.db2.gz VCGRFJNHSJSYLY-HNNXBMFYSA-N 0 0 331.803 2.366 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)cc1 ZINC000855229110 1293121231 /nfs/dbraw/zinc/12/12/31/1293121231.db2.gz KDRSQSDNMXWXKW-HNAYVOBHSA-N 0 0 338.407 2.394 10 10 EECERN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnn1 ZINC000859675577 1294591213 /nfs/dbraw/zinc/59/12/13/1294591213.db2.gz JYNUFPUUAUTYKJ-LBPRGKRZSA-N 0 0 348.353 2.477 10 10 EECERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000860243381 1294890297 /nfs/dbraw/zinc/89/02/97/1294890297.db2.gz LLNVNRQAXPJSEH-CYBMUJFWSA-N 0 0 348.399 2.328 10 10 EECERN COc1ccc(CNC(=O)Cn2cc(C)c(C(F)(F)F)n2)c(O)c1 ZINC000861490744 1295424024 /nfs/dbraw/zinc/42/40/24/1295424024.db2.gz ZAEVOJWKXFFMCP-UHFFFAOYSA-N 0 0 343.305 2.241 10 10 EECERN COC[C@@]1(C)CN(Cc2c(O)cccc2Br)CCO1 ZINC000862552346 1295879914 /nfs/dbraw/zinc/87/99/14/1295879914.db2.gz WVTKFARYTWNGQV-CQSZACIVSA-N 0 0 330.222 2.392 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]2CCC[C@@H]21 ZINC000863331431 1296225884 /nfs/dbraw/zinc/22/58/84/1296225884.db2.gz MCOSMOBPSUNPTD-ILUVHHAISA-N 0 0 345.395 2.301 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001118754918 1308938704 /nfs/dbraw/zinc/93/87/04/1308938704.db2.gz OCLWVCDQOBPWSU-YJNKXOJESA-N 0 0 347.411 2.124 10 10 EECERN O=C(C(=O)N1CCC[C@@H](C(F)(F)F)C1)N1Cc2cccc(O)c2C1 ZINC001118963558 1308966116 /nfs/dbraw/zinc/96/61/16/1308966116.db2.gz GVSSTIXHXPQTAJ-LLVKDONJSA-N 0 0 342.317 2.035 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC001119728141 1309177073 /nfs/dbraw/zinc/17/70/73/1309177073.db2.gz AYROLAHSVIOTAU-QAPCUYQASA-N 0 0 343.471 2.230 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3nnc(C)o3)C2)cc1 ZINC001123837567 1310724081 /nfs/dbraw/zinc/72/40/81/1310724081.db2.gz YZKZMXZJIXCQEU-WCQYABFASA-N 0 0 345.403 2.026 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(C(F)(F)F)n1 ZINC001141119276 1315045635 /nfs/dbraw/zinc/04/56/35/1315045635.db2.gz RZLIDARUOILXPI-UHFFFAOYSA-N 0 0 326.274 2.371 10 10 EECERN O=S1(=O)CCN(Cc2c(O)ccc3ccncc32)[C@@H]2CCC[C@@H]21 ZINC000840147066 1315308977 /nfs/dbraw/zinc/30/89/77/1315308977.db2.gz SMAZQMVGVGOBFA-WBVHZDCISA-N 0 0 332.425 2.092 10 10 EECERN COC(=O)c1ccnc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000841093861 1315473846 /nfs/dbraw/zinc/47/38/46/1315473846.db2.gz VFZSMDFGCFXXTL-UHFFFAOYSA-N 0 0 339.395 2.181 10 10 EECERN CC[C@H](C)C(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001293155572 1328621258 /nfs/dbraw/zinc/62/12/58/1328621258.db2.gz HGBJSQKOMQOTTM-NSHDSACASA-N 0 0 333.392 2.131 10 10 EECERN CC(C)CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1=O ZINC001154959591 1317401917 /nfs/dbraw/zinc/40/19/17/1317401917.db2.gz YOZINNVLCHHJPZ-GFCCVEGCSA-N 0 0 345.403 2.178 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@H](O)CC[C@H]3C)C2)cc1 ZINC001252114262 1317557741 /nfs/dbraw/zinc/55/77/41/1317557741.db2.gz BMYMQFSVNCSTQI-HLLBOEOZSA-N 0 0 347.459 2.076 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001156880843 1318257506 /nfs/dbraw/zinc/25/75/06/1318257506.db2.gz DCXGIWKESLBOBU-STQMWFEESA-N 0 0 341.363 2.289 10 10 EECERN O=C(NCc1c(O)cccc1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001156881117 1318257945 /nfs/dbraw/zinc/25/79/45/1318257945.db2.gz PTCQLXPPPHXJAQ-UHFFFAOYSA-N 0 0 338.266 2.414 10 10 EECERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc2ccccc2n1C ZINC001293909111 1328837179 /nfs/dbraw/zinc/83/71/79/1328837179.db2.gz YWKJJODENHWIEL-NSHDSACASA-N 0 0 325.368 2.404 10 10 EECERN CCOC(=O)c1sc(NC(=O)Cc2ccc(O)c(O)c2)nc1C ZINC001163699955 1321196301 /nfs/dbraw/zinc/19/63/01/1321196301.db2.gz ARLBXIKRLIVZGZ-UHFFFAOYSA-N 0 0 336.369 2.221 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCS[C@@H](C)C1 ZINC001262256847 1322264685 /nfs/dbraw/zinc/26/46/85/1322264685.db2.gz WKODTSXHMXMAOI-ZFWWWQNUSA-N 0 0 349.500 2.078 10 10 EECERN CC[C@@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285835404 1327173685 /nfs/dbraw/zinc/17/36/85/1327173685.db2.gz WVXOJJYXPOJLKB-RISCZKNCSA-N 0 0 345.403 2.226 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(C=O)n(C)n1 ZINC001290373736 1328187317 /nfs/dbraw/zinc/18/73/17/1328187317.db2.gz DEXFWKSBYQPXBP-UHFFFAOYSA-N 0 0 326.400 2.105 10 10 EECERN CCN(CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC001292765156 1328501476 /nfs/dbraw/zinc/50/14/76/1328501476.db2.gz XSYDYIFNGXPRBA-UHFFFAOYSA-N 0 0 338.404 2.014 10 10 EECERN CCn1c(=O)[nH]c2cc(C(=O)NCc3cccc(OC)c3O)ccc21 ZINC001294924970 1329764641 /nfs/dbraw/zinc/76/46/41/1329764641.db2.gz JZVUUBHGZULQIB-UHFFFAOYSA-N 0 0 341.367 2.406 10 10 EECERN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1noc(C(F)F)n1 ZINC001299107128 1330162228 /nfs/dbraw/zinc/16/22/28/1330162228.db2.gz TZFKNWOENNTCIO-MZTFZBDOSA-N 0 0 325.271 2.309 10 10 EECERN Cc1cnc(CN[C@@H](C)CNC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001491689734 1330207206 /nfs/dbraw/zinc/20/72/06/1330207206.db2.gz FMOWURLZEDHAAR-JTQLQIEISA-N 0 0 344.375 2.054 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(C)(C2CC2)CC1 ZINC001325150858 1333838885 /nfs/dbraw/zinc/83/88/85/1333838885.db2.gz KAWZIOLCMOGFLT-UHFFFAOYSA-N 0 0 330.428 2.389 10 10 EECERN O=C(N[C@H](CO)CC(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC001332071176 1335719593 /nfs/dbraw/zinc/71/95/93/1335719593.db2.gz PEGNAETUCOZADF-ZETCQYMHSA-N 0 0 335.303 2.356 10 10 EECERN CC(=O)N(CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001356668835 1338849702 /nfs/dbraw/zinc/84/97/02/1338849702.db2.gz BCXATTAIPLCCFP-UHFFFAOYSA-N 0 0 333.392 2.226 10 10 EECERN COc1ccc(N2CC[C@@H](N3C(=O)N(C)C4(CCCC4)C3=O)C2)cc1 ZINC000849357356 1339154187 /nfs/dbraw/zinc/15/41/87/1339154187.db2.gz LYNRRGOUOSEEIJ-OAHLLOKOSA-N 0 0 343.427 2.481 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(-c2nnco2)cc1 ZINC001556482594 1342428904 /nfs/dbraw/zinc/42/89/04/1342428904.db2.gz KGPMHQWUGAYPCL-UHFFFAOYSA-N 0 0 325.324 2.007 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001557084694 1342440668 /nfs/dbraw/zinc/44/06/68/1342440668.db2.gz KPMFWUHJXGJNHH-MRXNPFEDSA-N 0 0 330.315 2.046 10 10 EECERN CCCCC(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001579748907 1344412512 /nfs/dbraw/zinc/41/25/12/1344412512.db2.gz YIEFXPVRBFHFCN-LLVKDONJSA-N 0 0 333.392 2.274 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cccc(NC(=O)C2CC2)c1 ZINC001593869800 1349873191 /nfs/dbraw/zinc/87/31/91/1349873191.db2.gz WZPFTCHJNPBBQX-UHFFFAOYSA-N 0 0 326.352 2.376 10 10 EECERN Cc1ccc(-c2nn(C)cc2C(=O)NCCc2ccc(O)c(O)c2)o1 ZINC001622753144 1352388685 /nfs/dbraw/zinc/38/86/85/1352388685.db2.gz IPGRSHFRUUAAHY-UHFFFAOYSA-N 0 0 341.367 2.372 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncoc1-c1ccon1 ZINC001624955131 1352435869 /nfs/dbraw/zinc/43/58/69/1352435869.db2.gz SFWQDJUAIOAMPY-VIFPVBQESA-N 0 0 329.312 2.102 10 10 EECERN Cc1ccc(NC(=O)c2cccc(O)c2O)c(OCC(=O)N(C)C)c1 ZINC001626544095 1352466034 /nfs/dbraw/zinc/46/60/34/1352466034.db2.gz QIYHJWFYUVBRLK-UHFFFAOYSA-N 0 0 344.367 2.126 10 10 EECERN COC(=O)CCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001627137670 1352484184 /nfs/dbraw/zinc/48/41/84/1352484184.db2.gz XGPCVZHLNIFCCM-UHFFFAOYSA-N 0 0 345.351 2.221 10 10 EECERN Cn1cc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)c2cccnc21 ZINC001632372376 1352596389 /nfs/dbraw/zinc/59/63/89/1352596389.db2.gz ZOBIAJDJMJAFGR-FNORWQNLSA-N 0 0 337.379 2.357 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc2c(cc1Cl)NC(=O)C2 ZINC001638352164 1352687763 /nfs/dbraw/zinc/68/77/63/1352687763.db2.gz KIJWNUHRRLWOHO-UHFFFAOYSA-N 0 0 332.743 2.176 10 10 EECERN COC1([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)CCOCC1 ZINC001639388410 1352697905 /nfs/dbraw/zinc/69/79/05/1352697905.db2.gz CEBJKAOOCHHJSJ-NSHDSACASA-N 0 0 334.376 2.163 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ncsc1Br ZINC001651175989 1354042466 /nfs/dbraw/zinc/04/24/66/1354042466.db2.gz VPYWEABYLFBBDE-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3nnc[nH]3)C2)cc1OC ZINC001652186535 1354080695 /nfs/dbraw/zinc/08/06/95/1354080695.db2.gz YHVCQIZKWWYWAD-JTQLQIEISA-N 0 0 333.348 2.114 10 10 EECERN O=C(NCc1ccc2c(=O)cc[nH]c2c1)N1Cc2cccc(O)c2C1 ZINC001681829318 1358079976 /nfs/dbraw/zinc/07/99/76/1358079976.db2.gz WGOHETAVBRZVAR-UHFFFAOYSA-N 0 0 335.363 2.459 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCN(C)C1=O ZINC001135800461 784465272 /nfs/dbraw/zinc/46/52/72/784465272.db2.gz GXLCFNNNJWRXPE-KRWDZBQOSA-N 0 0 329.444 2.114 10 10 EECERN CNC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000817414912 784768070 /nfs/dbraw/zinc/76/80/70/784768070.db2.gz LUYCUNNZBCZEPU-JTQLQIEISA-N 0 0 327.222 2.031 10 10 EECERN Cc1cc(C(=O)N2CC3(C2)CNC(=O)O3)c(C)n1-c1ccccc1C ZINC000817678574 784915991 /nfs/dbraw/zinc/91/59/91/784915991.db2.gz BKULXRFBDQBGGS-UHFFFAOYSA-N 0 0 339.395 2.337 10 10 EECERN CC(C)(C)C1CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000818141710 785212514 /nfs/dbraw/zinc/21/25/14/785212514.db2.gz AGUQRCDKVPPOMA-UHFFFAOYSA-N 0 0 340.445 2.318 10 10 EECERN COc1ccc(N2CCCN(C(=O)/C=C\[C@@H]3CCCO3)CC2)cc1 ZINC000819142662 785420038 /nfs/dbraw/zinc/42/00/38/785420038.db2.gz PEXJGCDETFVECP-LPADLIQXSA-N 0 0 330.428 2.469 10 10 EECERN Cc1ccc(C(=O)NCC(=O)NCc2cc(Cl)ccc2O)s1 ZINC001146233205 791142972 /nfs/dbraw/zinc/14/29/72/791142972.db2.gz QOEGAALFNCHPAR-UHFFFAOYSA-N 0 0 338.816 2.462 10 10 EECERN Cc1cc(CC(=O)NCc2nnc3n2CCC3)c(C)n1-c1ccccc1 ZINC000820421989 785924887 /nfs/dbraw/zinc/92/48/87/785924887.db2.gz BLLOLFIXNXTMKH-UHFFFAOYSA-N 0 0 349.438 2.491 10 10 EECERN COc1ccc(N2CCCN(C(=O)NCC3CSC3)CC2)cc1 ZINC000923816925 786218730 /nfs/dbraw/zinc/21/87/30/786218730.db2.gz VLKXPURKSPXCIO-UHFFFAOYSA-N 0 0 335.473 2.280 10 10 EECERN CC[C@H](O)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000822612988 787287622 /nfs/dbraw/zinc/28/76/22/787287622.db2.gz HRGYQOKZGRUBSW-YDHLFZDLSA-N 0 0 338.423 2.217 10 10 EECERN C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C ZINC000911812053 787739162 /nfs/dbraw/zinc/73/91/62/787739162.db2.gz HNQGMQCTZYLSHO-CIUDSAMLSA-N 0 0 334.397 2.050 10 10 EECERN CN(C)Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC001136972185 788388118 /nfs/dbraw/zinc/38/81/18/788388118.db2.gz CWEKTFLQZJPSFP-UHFFFAOYSA-N 0 0 329.400 2.446 10 10 EECERN Cc1cc(C(=O)N2CC(C)(C(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000843940507 788762584 /nfs/dbraw/zinc/76/25/84/788762584.db2.gz WBGMOGIIUTXWHU-UHFFFAOYSA-N 0 0 329.375 2.181 10 10 EECERN COc1ccc(N(C)CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)cc1 ZINC000844353229 789037235 /nfs/dbraw/zinc/03/72/35/789037235.db2.gz RNHPVXWQHQSNND-ZDUSSCGKSA-N 0 0 328.416 2.360 10 10 EECERN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OCc1ccccc1 ZINC001144224910 789392510 /nfs/dbraw/zinc/39/25/10/789392510.db2.gz BUNHGEFUXGWPDE-AORWBKJGSA-N 0 0 341.363 2.359 10 10 EECERN Cc1cnc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000845849277 789976629 /nfs/dbraw/zinc/97/66/29/789976629.db2.gz LFCLEFHXGVJRQJ-UHFFFAOYSA-N 0 0 344.390 2.158 10 10 EECERN CCOC(=O)CCCNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000030686939 794513742 /nfs/dbraw/zinc/51/37/42/794513742.db2.gz IPBXJDRNRYINCW-UHFFFAOYSA-N 0 0 329.356 2.324 10 10 EECERN O=C(CCCNC(=O)NC1CCCCC1)NCc1cc(O)ccc1O ZINC001176748109 798547354 /nfs/dbraw/zinc/54/73/54/798547354.db2.gz KFLGSBRAKIFGGE-UHFFFAOYSA-N 0 0 349.431 2.126 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000788535307 807583662 /nfs/dbraw/zinc/58/36/62/807583662.db2.gz LULOFLDLJUWQGZ-IINYFYTJSA-N 0 0 330.222 2.093 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C2CN(CC(F)F)C2)cc1F ZINC000791359295 809212664 /nfs/dbraw/zinc/21/26/64/809212664.db2.gz HCHJMIVFIJRSIL-UHFFFAOYSA-N 0 0 343.393 2.485 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000808520510 812688683 /nfs/dbraw/zinc/68/86/83/812688683.db2.gz SLGPHPWXWNGZFS-UHFFFAOYSA-N 0 0 337.328 2.054 10 10 EECERN COc1cc(Cl)cc(C[NH2+][C@H](Cc2ccncc2)C(=O)[O-])c1O ZINC000848639002 1126112412 /nfs/dbraw/zinc/11/24/12/1126112412.db2.gz DJQOHWAEZWAXPZ-CYBMUJFWSA-N 0 0 336.775 2.235 10 10 EECERN CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1ccon1 ZINC001495119844 1100778234 /nfs/dbraw/zinc/77/82/34/1100778234.db2.gz YCRLHJYEZLHRAI-LBPRGKRZSA-N 0 0 344.375 2.135 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC1([C@@H](O)c2ccccc2)CC1 ZINC001446557486 1101035422 /nfs/dbraw/zinc/03/54/22/1101035422.db2.gz SFRPNWNGEDXCPT-SFHVURJKSA-N 0 0 327.380 2.270 10 10 EECERN COc1ccc(C=O)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001447562613 1102867445 /nfs/dbraw/zinc/86/74/45/1102867445.db2.gz KTNPLDDAUITWCF-NSHDSACASA-N 0 0 329.352 2.280 10 10 EECERN CCOC(=O)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001448153720 1104118671 /nfs/dbraw/zinc/11/86/71/1104118671.db2.gz FOXSJLSRLVOKHM-ZDUSSCGKSA-N 0 0 332.360 2.407 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1N1CCOC1=O ZINC001464739103 1110402045 /nfs/dbraw/zinc/40/20/45/1110402045.db2.gz NBQYVKTVQLJIKA-UHFFFAOYSA-N 0 0 328.324 2.236 10 10 EECERN Cn1nc(Cl)c(C(=O)NCCc2ccc(O)c(O)c2)c1Cl ZINC001465982039 1110427500 /nfs/dbraw/zinc/42/75/00/1110427500.db2.gz XADXVSCSUJTBRT-UHFFFAOYSA-N 0 0 330.171 2.111 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc2nnc(C(F)F)n2c1 ZINC001471661692 1110527675 /nfs/dbraw/zinc/52/76/75/1110527675.db2.gz YNMVMWAJFBVLCP-UHFFFAOYSA-N 0 0 334.282 2.008 10 10 EECERN C[C@@H]1C(=O)Nc2cc(C(=O)NCc3c(O)cccc3F)ccc2N1C ZINC001471975826 1110537180 /nfs/dbraw/zinc/53/71/80/1110537180.db2.gz ITJLBOAEFIQFKJ-SNVBAGLBSA-N 0 0 343.358 2.238 10 10 EECERN CCCNC(=O)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001501183382 1113232061 /nfs/dbraw/zinc/23/20/61/1113232061.db2.gz VNZZYRTVVQFIJO-UHFFFAOYSA-N 0 0 345.447 2.270 10 10 EECERN O=C1C=CSC1c1nnc(N2CCC3(COC3)C2)n1CC1CC1 ZINC001520579879 1119177833 /nfs/dbraw/zinc/17/78/33/1119177833.db2.gz AFVZKUOHXIDDKF-UHFFFAOYSA-N 0 0 332.429 2.349 10 10 EECERN CN(C)[C@@]1(C(=O)NCc2c(O)cccc2F)COc2ccccc2C1 ZINC001520694820 1119187870 /nfs/dbraw/zinc/18/78/70/1119187870.db2.gz INTBJCBGDYWVJC-LJQANCHMSA-N 0 0 344.386 2.083 10 10 EECERN Cc1ncccc1/C=C/C(=O)N(C)c1ccccc1S(C)(=O)=O ZINC001524281943 1120039246 /nfs/dbraw/zinc/03/92/46/1120039246.db2.gz NRGOCMHWUXFAJT-ZHACJKMWSA-N 0 0 330.409 2.470 10 10 EECERN COC(=O)CSCCC(=O)NCCCSc1nccs1 ZINC001542956334 1124118143 /nfs/dbraw/zinc/11/81/43/1124118143.db2.gz RSMXHBUMRDPOQF-UHFFFAOYSA-N 0 0 334.488 2.038 10 10 EECERN Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001569040454 1125059562 /nfs/dbraw/zinc/05/95/62/1125059562.db2.gz CRAMEDUETFFZBE-SNVBAGLBSA-N 0 0 344.375 2.054 10 10 EECERN Cc1ccc(C(=O)N2CCC3(C2)Oc2ccccc2O3)c(O)c1O ZINC000291799829 238177994 /nfs/dbraw/zinc/17/79/94/238177994.db2.gz BWCJEACQGRSDBS-UHFFFAOYSA-N 0 0 327.336 2.420 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)COc1ccc(O)cc1 ZINC000347728052 465192326 /nfs/dbraw/zinc/19/23/26/465192326.db2.gz CZKIGFMJDXPJTH-UHFFFAOYSA-N 0 0 328.368 2.263 10 10 EECERN CCN(CC)c1ccc(CN2CCS(=O)(=O)[C@H](C)C2)cc1F ZINC000127889570 462592255 /nfs/dbraw/zinc/59/22/55/462592255.db2.gz GAVBEZYLSRQZGU-CYBMUJFWSA-N 0 0 328.453 2.291 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](c4ccco4)C3)cc2N1 ZINC000131304278 462804985 /nfs/dbraw/zinc/80/49/85/462804985.db2.gz SIEQEYOCXHOHSV-HNNXBMFYSA-N 0 0 345.311 2.097 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000133855926 462978406 /nfs/dbraw/zinc/97/84/06/462978406.db2.gz DMJVUISXAVPEPE-INIZCTEOSA-N 0 0 325.412 2.445 10 10 EECERN COC(=O)[C@@H](NCc1cc(OC)c(OC)cc1O)c1cccc(O)c1 ZINC000276711666 463727803 /nfs/dbraw/zinc/72/78/03/463727803.db2.gz CYAVRQRPYZAKQS-KRWDZBQOSA-N 0 0 347.367 2.119 10 10 EECERN C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1 ZINC000287492513 463905285 /nfs/dbraw/zinc/90/52/85/463905285.db2.gz SWVMPDHOASEJNR-HNNXBMFYSA-N 0 0 341.455 2.374 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccnc(-n2ccnc2)c1 ZINC000180987948 464430577 /nfs/dbraw/zinc/43/05/77/464430577.db2.gz DHYCQBKDXCFITR-DUXPYHPUSA-N 0 0 336.351 2.008 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1 ZINC000182132534 464578896 /nfs/dbraw/zinc/57/88/96/464578896.db2.gz BUCBQQBNYFZTMD-UHFFFAOYSA-N 0 0 330.359 2.298 10 10 EECERN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1 ZINC000276130604 464819601 /nfs/dbraw/zinc/81/96/01/464819601.db2.gz AXNUDKISZITTSQ-INIZCTEOSA-N 0 0 327.384 2.312 10 10 EECERN O=C(c1ccnc2c1CC(=O)N2)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000613563373 469738291 /nfs/dbraw/zinc/73/82/91/469738291.db2.gz UOBHNIQQBRQSFB-SNVBAGLBSA-N 0 0 333.347 2.297 10 10 EECERN C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CC1=O ZINC000742392206 575980314 /nfs/dbraw/zinc/98/03/14/575980314.db2.gz NOLGTJCPZJENTF-IRUJWGPZSA-N 0 0 339.233 2.254 10 10 EECERN O=C(Nc1cccc(Cn2cccnc2=O)c1)C1=CC(=O)CS1 ZINC000732274106 577163105 /nfs/dbraw/zinc/16/31/05/577163105.db2.gz KJMPEOMFJCVXPU-UHFFFAOYSA-N 0 0 327.365 2.311 10 10 EECERN C[C@H](NC(=O)N(C)Cc1cc[nH]n1)c1ccc(N2CCOCC2)cc1 ZINC000732675409 577188029 /nfs/dbraw/zinc/18/80/29/577188029.db2.gz UMBYQANTVBYNBX-AWEZNQCLSA-N 0 0 343.431 2.149 10 10 EECERN COc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)nn1C ZINC000772542056 577281056 /nfs/dbraw/zinc/28/10/56/577281056.db2.gz XDXFCKUUXQICIU-UHFFFAOYSA-N 0 0 325.372 2.484 10 10 EECERN C[C@@H](NC(=O)N[C@@H](C)c1cn[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000757015537 577854980 /nfs/dbraw/zinc/85/49/80/577854980.db2.gz JINSKZINFASTCO-KGLIPLIRSA-N 0 0 343.431 2.368 10 10 EECERN C[C@H](NC(=O)NC[C@H]1CCC[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC000745780171 577918345 /nfs/dbraw/zinc/91/83/45/577918345.db2.gz RBHIVEJNFFYYDN-LESCRADOSA-N 0 0 347.459 2.044 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000746714508 577932926 /nfs/dbraw/zinc/93/29/26/577932926.db2.gz ADHPHSOKYCLMGE-QDCWTVBJSA-N 0 0 334.372 2.378 10 10 EECERN CN(Cc1ccccc1O)C(=O)CSCC(=O)OC(C)(C)C ZINC000741279865 578116211 /nfs/dbraw/zinc/11/62/11/578116211.db2.gz AUCQBJYZIQBBPJ-UHFFFAOYSA-N 0 0 325.430 2.426 10 10 EECERN C[C@H](NC(=O)NCc1ccccc1O)c1nnc2n1CCCCC2 ZINC000736650270 578215932 /nfs/dbraw/zinc/21/59/32/578215932.db2.gz SGZLZVRSPIYIQS-LBPRGKRZSA-N 0 0 329.404 2.271 10 10 EECERN Cn1cc(CCC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804738698 675611613 /nfs/dbraw/zinc/61/16/13/675611613.db2.gz AECXPVVDFMLZGN-UHFFFAOYSA-N 0 0 338.205 2.137 10 10 EECERN CCOc1ccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c(O)c1 ZINC000895341675 684515383 /nfs/dbraw/zinc/51/53/83/684515383.db2.gz JSTFETGLESGLLR-OAHLLOKOSA-N 0 0 333.432 2.171 10 10 EECERN C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896463632 684994709 /nfs/dbraw/zinc/99/47/09/684994709.db2.gz DXVKSELEWITTQW-PGJXFVMDSA-N 0 0 339.438 2.294 10 10 EECERN CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897457673 690562076 /nfs/dbraw/zinc/56/20/76/690562076.db2.gz HKZREAIUIXOAFC-LLVKDONJSA-N 0 0 348.424 2.395 10 10 EECERN C[C@H]1OCC[C@]12CN(C(=O)c1cc3cc(O)c(O)cc3s1)CCO2 ZINC000897612602 691686168 /nfs/dbraw/zinc/68/61/68/691686168.db2.gz BUSCBOVCAABJGH-QGHHPUGFSA-N 0 0 349.408 2.333 10 10 EECERN CCc1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cnn1CC ZINC001266268509 1176066514 /nfs/dbraw/zinc/06/65/14/1176066514.db2.gz ISVVEGXEJKFLIJ-UHFFFAOYSA-N 0 0 342.443 2.436 10 10 EECERN O=C(Nc1ccc(N2C(=O)CCC2=O)cc1)c1cccc(O)c1O ZINC001648793370 1176506917 /nfs/dbraw/zinc/50/69/17/1176506917.db2.gz UVSACPCWDSPBOA-UHFFFAOYSA-N 0 0 326.308 2.004 10 10 EECERN O=C(CSc1ccc2c(c1)OCCO2)NCc1ccc(O)cc1O ZINC001142533395 1188237634 /nfs/dbraw/zinc/23/76/34/1188237634.db2.gz IJGIVANJDBQXGQ-UHFFFAOYSA-N 0 0 347.392 2.278 10 10 EECERN CO[C@H]1CN2C(=O)N(Cc3ccc(N4CCCC4)cc3)C(=O)[C@@]2(C)C1 ZINC000865298171 1198157710 /nfs/dbraw/zinc/15/77/10/1198157710.db2.gz CIIFTEQIVNGDHN-VQIMIIECSA-N 0 0 343.427 2.228 10 10 EECERN CCN(CC)c1ccc(CNCc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000865418721 1198207380 /nfs/dbraw/zinc/20/73/80/1198207380.db2.gz OSZMSXQJAAHJDS-KRWDZBQOSA-N 0 0 343.475 2.451 10 10 EECERN CO[C@]12CCC[C@@]1(C(=O)NCc1ccc(N(C)C)c(F)c1)CCO2 ZINC000874250789 1198836304 /nfs/dbraw/zinc/83/63/04/1198836304.db2.gz ZSNFJLUYZTTZGY-ROUUACIJSA-N 0 0 336.407 2.441 10 10 EECERN O=c1cc(NCCc2ccc(O)c(O)c2)cnn1Cc1ccccc1 ZINC000811811164 1200327307 /nfs/dbraw/zinc/32/73/07/1200327307.db2.gz OGMLBXSYBVWXBX-UHFFFAOYSA-N 0 0 337.379 2.357 10 10 EECERN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1Cc2cccc(O)c2C1 ZINC000871200027 1201097353 /nfs/dbraw/zinc/09/73/53/1201097353.db2.gz YGQBFBPAGYSFHG-CYBMUJFWSA-N 0 0 340.354 2.427 10 10 EECERN O=C(c1c(Br)nc2n1CCC2)N1Cc2cccc(O)c2C1 ZINC000871206043 1201099356 /nfs/dbraw/zinc/09/93/56/1201099356.db2.gz PJWNSMBHDWLMDS-UHFFFAOYSA-N 0 0 348.200 2.453 10 10 EECERN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc(O)c2O)cn1 ZINC000882688760 1201920315 /nfs/dbraw/zinc/92/03/15/1201920315.db2.gz OCAVZHQRUOGWPC-QXMXGUDHSA-N 0 0 327.384 2.382 10 10 EECERN CO[C@H]1CCn2cc(C(=O)NCc3cc(Cl)ccc3O)nc2C1 ZINC000869146034 1201950162 /nfs/dbraw/zinc/95/01/62/1201950162.db2.gz DRUDVBFXHHWPGJ-LBPRGKRZSA-N 0 0 335.791 2.133 10 10 EECERN CCO[C@]12CCC[C@@]1(NC(=O)/C=C/c1ccc(O)c(O)c1)CCO2 ZINC000889803108 1204715710 /nfs/dbraw/zinc/71/57/10/1204715710.db2.gz DXEDDWWOWIIGEX-MJMQLPLLSA-N 0 0 333.384 2.303 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1nccn1CC(F)(F)F ZINC000779513282 1210403266 /nfs/dbraw/zinc/40/32/66/1210403266.db2.gz GXRQJQZCOKZYNB-RQOWECAXSA-N 0 0 341.289 2.186 10 10 EECERN CC(C)OC(=O)N1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779517122 1210404647 /nfs/dbraw/zinc/40/46/47/1210404647.db2.gz NGDVQRURVCPQFC-XQRVVYSFSA-N 0 0 348.399 2.237 10 10 EECERN CC(=O)N[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000098074592 1216751699 /nfs/dbraw/zinc/75/16/99/1216751699.db2.gz MPRHEHPZUNHZPY-INIZCTEOSA-N 0 0 342.395 2.024 10 10 EECERN C/C=C/[C@H](O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000900866813 1234927920 /nfs/dbraw/zinc/92/79/20/1234927920.db2.gz FKULLJKHZQQZQX-PCFFYYQISA-N 0 0 340.370 2.310 10 10 EECERN COc1cc(C)cc(/C=C2\SC(N3CCOCC3)=NC2=O)c1OC ZINC000901442422 1235805120 /nfs/dbraw/zinc/80/51/20/1235805120.db2.gz JNNDOIBGCWCRBO-UVTDQMKNSA-N 0 0 348.424 2.315 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H](OC)[C@H]2CCOC2)cc1F ZINC000826940536 1248167767 /nfs/dbraw/zinc/16/77/67/1248167767.db2.gz DDROTKOJPWWIIR-WMLDXEAASA-N 0 0 338.423 2.340 10 10 EECERN CNC(=O)CCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000827539120 1248415349 /nfs/dbraw/zinc/41/53/49/1248415349.db2.gz YSJCOKFXKCTFAT-UHFFFAOYSA-N 0 0 327.428 2.279 10 10 EECERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCOCC2CCC2)c1 ZINC000827194224 1250657533 /nfs/dbraw/zinc/65/75/33/1250657533.db2.gz GPLZKJVDYMVALO-GFCCVEGCSA-N 0 0 343.445 2.198 10 10 EECERN C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000850518198 1277256770 /nfs/dbraw/zinc/25/67/70/1277256770.db2.gz CMLOPNJTIKLYTO-SSDOTTSWSA-N 0 0 347.305 2.298 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000850625265 1277284210 /nfs/dbraw/zinc/28/42/10/1277284210.db2.gz CDGWHGWWUSOABV-ZBFHGGJFSA-N 0 0 348.443 2.205 10 10 EECERN COc1cccc(CNC(=O)C(=O)c2ccc3c(c2)CCC3)c1O ZINC000105650932 1287012964 /nfs/dbraw/zinc/01/29/64/1287012964.db2.gz MRDFVBNYLCJJJR-UHFFFAOYSA-N 0 0 325.364 2.389 10 10 EECERN CC12CC(C1)CN2C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000853453613 1292387586 /nfs/dbraw/zinc/38/75/86/1292387586.db2.gz XPPQLTBBMMLHPQ-UHFFFAOYSA-N 0 0 333.407 2.356 10 10 EECERN CCN(C[C@@H](C)OC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296886 1292708230 /nfs/dbraw/zinc/70/82/30/1292708230.db2.gz HKUGPWKIRNHJTH-CABCVRRESA-N 0 0 335.448 2.340 10 10 EECERN CCCCCN(CCO)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301880 1292712348 /nfs/dbraw/zinc/71/23/48/1292712348.db2.gz VOPUESULUCYOIL-INIZCTEOSA-N 0 0 349.475 2.468 10 10 EECERN CCC[C@H](O)[C@@H](CO)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854943375 1292996359 /nfs/dbraw/zinc/99/63/59/1292996359.db2.gz IZBDNVHCUNWHDZ-MOPGFXCFSA-N 0 0 344.455 2.275 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)C3CCCCC3)C2)cc1 ZINC000855224669 1293117912 /nfs/dbraw/zinc/11/79/12/1293117912.db2.gz GWMZJLYDOGSESH-CRAIPNDOSA-N 0 0 332.444 2.331 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)COCc3cccnc3)C2)cc1 ZINC000855225864 1293118820 /nfs/dbraw/zinc/11/88/20/1293118820.db2.gz NIKSOCQLODKBNQ-MRXNPFEDSA-N 0 0 341.411 2.002 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3SC)C2)cc1 ZINC000855227183 1293120014 /nfs/dbraw/zinc/12/00/14/1293120014.db2.gz WVQPIMVGTFPCST-LBPRGKRZSA-N 0 0 346.456 2.159 10 10 EECERN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](CC(F)(F)F)O1 ZINC000857338731 1293796463 /nfs/dbraw/zinc/79/64/63/1293796463.db2.gz PTYPDBZYIAIOFP-JGVFFNPUSA-N 0 0 337.269 2.419 10 10 EECERN Cc1cc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCOCC2)on1 ZINC000858325854 1294084261 /nfs/dbraw/zinc/08/42/61/1294084261.db2.gz OWIKNHPITGVNCG-UHFFFAOYSA-N 0 0 333.344 2.392 10 10 EECERN CO[C@@](C)(CO)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000862139920 1295717442 /nfs/dbraw/zinc/71/74/42/1295717442.db2.gz OWWVMAWFTIVXPR-LJQANCHMSA-N 0 0 344.411 2.034 10 10 EECERN Cc1cc(CC(=O)NC[C@@H](O)[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000862654111 1295917926 /nfs/dbraw/zinc/91/79/26/1295917926.db2.gz MAGPUDUYYLFQEU-RTBURBONSA-N 0 0 342.439 2.293 10 10 EECERN CO[C@H]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC001119697788 1309163696 /nfs/dbraw/zinc/16/36/96/1309163696.db2.gz ZXVPHZGQNGJLPG-OLZOCXBDSA-N 0 0 338.791 2.377 10 10 EECERN COC(=O)c1ccc(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC001138152151 1314557588 /nfs/dbraw/zinc/55/75/88/1314557588.db2.gz BIASMCAUOLSNMU-AYLMVEPYSA-N 0 0 345.351 2.238 10 10 EECERN Cc1noc(CCNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840286101 1315344429 /nfs/dbraw/zinc/34/44/29/1315344429.db2.gz VURNEMQIJMEVNU-CYBMUJFWSA-N 0 0 345.447 2.225 10 10 EECERN COCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1COC ZINC000840917244 1315435216 /nfs/dbraw/zinc/43/52/16/1315435216.db2.gz IJEAAPSCEWXWOR-UHFFFAOYSA-N 0 0 337.397 2.486 10 10 EECERN CC1(C)OCC[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842251282 1315680065 /nfs/dbraw/zinc/68/00/65/1315680065.db2.gz ORSFDMYJQSAQST-ZDUSSCGKSA-N 0 0 338.791 2.377 10 10 EECERN COc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 ZINC001151668079 1316578033 /nfs/dbraw/zinc/57/80/33/1316578033.db2.gz QZXOKVHBEVJYJP-SFHVURJKSA-N 0 0 343.379 2.249 10 10 EECERN C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1O ZINC001151885639 1316602775 /nfs/dbraw/zinc/60/27/75/1316602775.db2.gz AAZHDNCTPBEAJJ-LLVKDONJSA-N 0 0 334.397 2.255 10 10 EECERN Cc1cc(F)cc2c(O)c(C(=O)NCc3cc(O)ccc3O)cnc12 ZINC001153884757 1316908001 /nfs/dbraw/zinc/90/80/01/1316908001.db2.gz HJXFTWXFZMFKBC-UHFFFAOYSA-N 0 0 342.326 2.317 10 10 EECERN CCOC(=O)Nc1scnc1C(=O)NCc1cc(O)ccc1O ZINC001153886181 1316908351 /nfs/dbraw/zinc/90/83/51/1316908351.db2.gz ZJVMZVZDROSMGV-UHFFFAOYSA-N 0 0 337.357 2.053 10 10 EECERN Cc1ccc(C(=O)NCc2nccc(C(F)(F)F)n2)c(O)c1O ZINC001161921667 1320677518 /nfs/dbraw/zinc/67/75/18/1320677518.db2.gz SWFMIAGLNLYOJZ-UHFFFAOYSA-N 0 0 327.262 2.145 10 10 EECERN COC(=O)[C@@H]1CN(C(=O)/C=C/c2cccnc2C)c2ccccc2O1 ZINC001264349806 1322671938 /nfs/dbraw/zinc/67/19/38/1322671938.db2.gz DEIHDIVPKWDARO-FVNWOWOISA-N 0 0 338.363 2.370 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC001290781829 1328270238 /nfs/dbraw/zinc/27/02/38/1328270238.db2.gz HSXCEASVVXQYEC-UHFFFAOYSA-N 0 0 325.324 2.375 10 10 EECERN CCOCc1nnc(N(C)OC)n1CCCSc1nccs1 ZINC001297078369 1329941605 /nfs/dbraw/zinc/94/16/05/1329941605.db2.gz FCNSCRLMHCYJAG-UHFFFAOYSA-N 0 0 343.478 2.451 10 10 EECERN CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)CC1CC1 ZINC001297428416 1329971045 /nfs/dbraw/zinc/97/10/45/1329971045.db2.gz BLXDPNJTLNCGTA-CYBMUJFWSA-N 0 0 345.403 2.274 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ncccc1OCC(F)(F)F ZINC001303225539 1331350582 /nfs/dbraw/zinc/35/05/82/1331350582.db2.gz LDLSUHCZYBNXDX-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN CNC(=O)c1cccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)c1 ZINC001303846890 1331367945 /nfs/dbraw/zinc/36/79/45/1331367945.db2.gz GTVNYNVWJBGZCA-UHFFFAOYSA-N 0 0 335.367 2.108 10 10 EECERN C[C@H](CNCc1cscn1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001321760281 1333154150 /nfs/dbraw/zinc/15/41/50/1333154150.db2.gz MAAGJTVZEAZMFU-SNVBAGLBSA-N 0 0 346.416 2.214 10 10 EECERN CCOc1ccc(N2CCN(C(=O)/C=C/[C@H]3CCCO3)CC2)cc1 ZINC001326159514 1334034869 /nfs/dbraw/zinc/03/48/69/1334034869.db2.gz JGWCWCNLJBZEQS-OAGJVSPASA-N 0 0 330.428 2.469 10 10 EECERN Cc1cc[nH]c(=O)c1C(=O)NCc1cc(Br)ccc1O ZINC001326458586 1334098440 /nfs/dbraw/zinc/09/84/40/1334098440.db2.gz VYXILQVRNZIQSP-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC2CCC(F)CC2)cc1 ZINC001326956810 1334191663 /nfs/dbraw/zinc/19/16/63/1334191663.db2.gz XVJWMJTXWLJFKR-UHFFFAOYSA-N 0 0 349.450 2.356 10 10 EECERN COc1ccc(N2CCN(c3ccncc3[N+](=O)[O-])CC2)c(OC)c1 ZINC001329747953 1334707477 /nfs/dbraw/zinc/70/74/77/1334707477.db2.gz FJQLGJUEGAJGSY-UHFFFAOYSA-N 0 0 344.371 2.334 10 10 EECERN C[C@H](c1cccc(O)c1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332019430 1335706893 /nfs/dbraw/zinc/70/68/93/1335706893.db2.gz REIGIAXGFPHRKE-GFCCVEGCSA-N 0 0 340.379 2.160 10 10 EECERN O=C(NCCCSc1nccs1)N1C2CCC1(CO)CC2 ZINC001332781260 1335905667 /nfs/dbraw/zinc/90/56/67/1335905667.db2.gz SUOBNJVCDMNJBE-UHFFFAOYSA-N 0 0 327.475 2.324 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NCC2CCC=CCC2)cc1 ZINC001333258125 1335990647 /nfs/dbraw/zinc/99/06/47/1335990647.db2.gz QQKBKLXPHWWZAX-UHFFFAOYSA-N 0 0 329.444 2.231 10 10 EECERN CC(=O)N1CCN(c2ccc(CNc3cc(C)nc(F)n3)cc2)CC1 ZINC001333397113 1336033515 /nfs/dbraw/zinc/03/35/15/1336033515.db2.gz GZSPYAKUOFQZBF-UHFFFAOYSA-N 0 0 343.406 2.205 10 10 EECERN COC[C@@H](O)CNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001334418916 1336251483 /nfs/dbraw/zinc/25/14/83/1336251483.db2.gz JTDDOOVWZCGLEW-AWEZNQCLSA-N 0 0 336.819 2.485 10 10 EECERN NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)cc2)CC1 ZINC001338264051 1336828087 /nfs/dbraw/zinc/82/80/87/1336828087.db2.gz MPZTXMUHWCMPED-FVQHAEBGSA-N 0 0 341.455 2.051 10 10 EECERN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1cccc(O)c1O ZINC001348046004 1337533615 /nfs/dbraw/zinc/53/36/15/1337533615.db2.gz GOJHVIKSAGAEJG-ZDUSSCGKSA-N 0 0 336.432 2.291 10 10 EECERN CC[C@@]1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCNC1=O ZINC001353920268 1338370374 /nfs/dbraw/zinc/37/03/74/1338370374.db2.gz QKYZSFICMJABMW-LJQANCHMSA-N 0 0 329.444 2.162 10 10 EECERN CN(CCN(C)C(=O)C1(C)CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001357244825 1338974947 /nfs/dbraw/zinc/97/49/47/1338974947.db2.gz GBKHFSBNSRMGAD-UHFFFAOYSA-N 0 0 345.403 2.180 10 10 EECERN COC(=O)[C@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cccnc1 ZINC000849321480 1339152814 /nfs/dbraw/zinc/15/28/14/1339152814.db2.gz GCQFISLGHIPPKL-CRAIPNDOSA-N 0 0 341.411 2.173 10 10 EECERN C[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)c1ccccc1O ZINC001557966716 1342461156 /nfs/dbraw/zinc/46/11/56/1342461156.db2.gz OABYFNUCQDKJLZ-SECBINFHSA-N 0 0 325.411 2.348 10 10 EECERN Cc1cc(C=O)c(O)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001567467973 1342765012 /nfs/dbraw/zinc/76/50/12/1342765012.db2.gz WTMVDVJQDYTMFN-NSHDSACASA-N 0 0 329.352 2.285 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccn(-c2cccc(F)c2)n1 ZINC001597569478 1349928234 /nfs/dbraw/zinc/92/82/34/1349928234.db2.gz PEWIDENPIIMSQN-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ccn(CCc2ccccc2)n1 ZINC001622643791 1352386885 /nfs/dbraw/zinc/38/68/85/1352386885.db2.gz WTNWQADFENJZRJ-UHFFFAOYSA-N 0 0 337.379 2.467 10 10 EECERN Cc1cnc2c(c1)N(C(=O)c1cn(C)nc1-c1cccnc1)CCN2C ZINC001623519885 1352399101 /nfs/dbraw/zinc/39/91/01/1352399101.db2.gz CJQHNJUCALETTL-UHFFFAOYSA-N 0 0 348.410 2.282 10 10 EECERN COc1ccc2c(c1)OCC(C(=O)NCc1cccc(O)c1O)=C2 ZINC001633509318 1352611266 /nfs/dbraw/zinc/61/12/66/1352611266.db2.gz SZNJRPRHNUTRAQ-UHFFFAOYSA-N 0 0 327.336 2.199 10 10 EECERN COc1ccc(CNC(=O)Cc2nn(C)c3ccccc23)c(O)c1 ZINC001633926402 1352620895 /nfs/dbraw/zinc/62/08/95/1352620895.db2.gz CXKGWCKODYIKSA-UHFFFAOYSA-N 0 0 325.368 2.146 10 10 EECERN CON(C)C(=O)c1cc(F)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001640280749 1352709233 /nfs/dbraw/zinc/70/92/33/1352709233.db2.gz BZELSNXUROZYFO-UHFFFAOYSA-N 0 0 348.330 2.052 10 10 EECERN COCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccnc1 ZINC001644762516 1352769039 /nfs/dbraw/zinc/76/90/39/1352769039.db2.gz CYYVYWKVRABATL-ZQMJAJRESA-N 0 0 328.368 2.400 10 10 EECERN COc1ccc(-c2cc(C(=O)NCc3c(O)cccc3O)[nH]n2)cc1 ZINC001647270153 1353213172 /nfs/dbraw/zinc/21/31/72/1353213172.db2.gz NERDFNGOIQAANO-UHFFFAOYSA-N 0 0 339.351 2.427 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cn2ccnc2s1 ZINC000785410013 783024942 /nfs/dbraw/zinc/02/49/42/783024942.db2.gz PQSZSNZRELKZNZ-UHFFFAOYSA-N 0 0 342.424 2.162 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(-n2cncn2)c1 ZINC000183488720 781046008 /nfs/dbraw/zinc/04/60/08/781046008.db2.gz DGGQRAJWUYDLOG-LBPRGKRZSA-N 0 0 338.367 2.040 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)/C=C/c3cnccn3)C2)cc1 ZINC000819583327 785593586 /nfs/dbraw/zinc/59/35/86/785593586.db2.gz RTIMBLLAVNVLAN-MCFICARUSA-N 0 0 338.411 2.141 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000909829477 786260295 /nfs/dbraw/zinc/26/02/95/786260295.db2.gz OGWGHBQFERTDJI-ZDUSSCGKSA-N 0 0 347.367 2.227 10 10 EECERN NC(=O)C1CC([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708056609 786710296 /nfs/dbraw/zinc/71/02/96/786710296.db2.gz NSAJRQWLSMEMPG-UHFFFAOYSA-N 0 0 333.613 2.162 10 10 EECERN COc1ccc(N2CCN([C@H]3CCN(C(C)(C)C)C3=O)CC2)cc1 ZINC000822570902 787273745 /nfs/dbraw/zinc/27/37/45/787273745.db2.gz SAJDJFBGSNWFIE-KRWDZBQOSA-N 0 0 331.460 2.217 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1cn(C)nn1 ZINC000822898231 787450195 /nfs/dbraw/zinc/45/01/95/787450195.db2.gz KYVXJLALQDZVBC-UHFFFAOYSA-N 0 0 329.448 2.251 10 10 EECERN Cc1ccc(C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)c(O)c1O ZINC000911692699 787642541 /nfs/dbraw/zinc/64/25/41/787642541.db2.gz RTTYORQUODXYQB-NSHDSACASA-N 0 0 331.343 2.357 10 10 EECERN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000911812056 787739076 /nfs/dbraw/zinc/73/90/76/787739076.db2.gz HNQGMQCTZYLSHO-XHNCKOQMSA-N 0 0 334.397 2.050 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1F ZINC001136730736 787783972 /nfs/dbraw/zinc/78/39/72/787783972.db2.gz ZZCGTKNIZMDIRT-KGLIPLIRSA-N 0 0 335.423 2.190 10 10 EECERN COC1(C[C@H]2NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)CCC1 ZINC000844712437 789316402 /nfs/dbraw/zinc/31/64/02/789316402.db2.gz QYMUMEPGHYWZMF-OAHLLOKOSA-N 0 0 331.416 2.132 10 10 EECERN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)NCc2c(O)cccc2F)cn1 ZINC000923302903 789340531 /nfs/dbraw/zinc/34/05/31/789340531.db2.gz XGBDQYZIKBLHDA-BBRMVZONSA-N 0 0 346.406 2.475 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cn(C3CCC3)nn2)cc1 ZINC000844856209 789403018 /nfs/dbraw/zinc/40/30/18/789403018.db2.gz GJVWEFDJCKXATF-UHFFFAOYSA-N 0 0 343.431 2.220 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)/C=C\c2ccncn2)cc1 ZINC000844856059 789403354 /nfs/dbraw/zinc/40/33/54/789403354.db2.gz LUVNXSUGUUITLM-WTKPLQERSA-N 0 0 326.400 2.093 10 10 EECERN COC(=O)CC1(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000846392625 790151140 /nfs/dbraw/zinc/15/11/40/790151140.db2.gz JEJXXZWEHDKKKB-UHFFFAOYSA-N 0 0 327.384 2.315 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@H]3CCCOC3)CC2)cc1 ZINC000171604607 791412753 /nfs/dbraw/zinc/41/27/53/791412753.db2.gz XMZWKOAWZJXYDT-HNNXBMFYSA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(O)c(CNC(=O)NCc2ccc(CO)c(F)c2)c1 ZINC000172073710 791536266 /nfs/dbraw/zinc/53/62/66/791536266.db2.gz CBUXLNDKWIDDCJ-UHFFFAOYSA-N 0 0 334.347 2.032 10 10 EECERN O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000714343035 794922769 /nfs/dbraw/zinc/92/27/69/794922769.db2.gz UJITZSLMIZXBCE-NSHDSACASA-N 0 0 348.262 2.212 10 10 EECERN CN1CCCc2cc(CNC(=O)NCCOC3CCOCC3)ccc21 ZINC000915390363 795960370 /nfs/dbraw/zinc/96/03/70/795960370.db2.gz KGXXSLUQRADOSI-UHFFFAOYSA-N 0 0 347.459 2.064 10 10 EECERN COC(=O)[C@H](CNC(=O)NCc1ccccc1O)Cc1ccccc1 ZINC000915517018 796297990 /nfs/dbraw/zinc/29/79/90/796297990.db2.gz DQGVIAHBDHEZOK-INIZCTEOSA-N 0 0 342.395 2.223 10 10 EECERN C/C=C/[C@@H](O)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000901056078 796425624 /nfs/dbraw/zinc/42/56/24/796425624.db2.gz CULLOADWWAUOCL-MASHWEEQSA-N 0 0 328.206 2.440 10 10 EECERN C/C=C/[C@H](O)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000901056077 796425725 /nfs/dbraw/zinc/42/57/25/796425725.db2.gz CULLOADWWAUOCL-LQPUYASZSA-N 0 0 328.206 2.440 10 10 EECERN CC(C)(C)OC(=O)[C@]1(C(=O)NCc2cc(O)ccc2O)CC1(C)C ZINC001176756133 798571005 /nfs/dbraw/zinc/57/10/05/798571005.db2.gz XZPSQTTYSDTZDT-GOSISDBHSA-N 0 0 335.400 2.472 10 10 EECERN Cc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC001178286208 799382402 /nfs/dbraw/zinc/38/24/02/799382402.db2.gz GJRGRSAOUVWOPE-AYGBPOKTSA-N 0 0 348.830 2.362 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cc2cc(F)ccc2[nH]c1=O ZINC001178413216 799467498 /nfs/dbraw/zinc/46/74/98/799467498.db2.gz OXRSUFGHGMOZHL-UHFFFAOYSA-N 0 0 330.290 2.442 10 10 EECERN Cc1c[nH]c(CC(N)=O)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179032998 799760031 /nfs/dbraw/zinc/76/00/31/799760031.db2.gz SHJVEBMSDLDHJY-UHFFFAOYSA-N 0 0 337.379 2.140 10 10 EECERN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc([S@@](C)=O)cc1 ZINC001183135228 801491530 /nfs/dbraw/zinc/49/15/30/801491530.db2.gz JAURFLAWGPJFIH-YGWIHHTISA-N 0 0 337.372 2.465 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)N3[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000792056651 809554365 /nfs/dbraw/zinc/55/43/65/809554365.db2.gz DFOAQGVERPCXKG-HOTGVXAUSA-N 0 0 346.475 2.010 10 10 EECERN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1=CC(=O)CS1 ZINC000792516214 809776482 /nfs/dbraw/zinc/77/64/82/809776482.db2.gz HQQLKDALIRIZKA-ZDUSSCGKSA-N 0 0 334.372 2.124 10 10 EECERN C[C@@H](NC(=O)NCc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000805153937 811161844 /nfs/dbraw/zinc/16/18/44/811161844.db2.gz DKJPFNKWVHEYOM-ZJUUUORDSA-N 0 0 343.221 2.379 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC000808532226 812702601 /nfs/dbraw/zinc/70/26/01/812702601.db2.gz OQDCIRJCGANFNZ-PXAZEXFGSA-N 0 0 341.404 2.161 10 10 EECERN CNC(=O)c1cncc(C=CC(=O)N(C)c2ccc(C(C)=O)cc2)c1 ZINC001438858139 1091493883 /nfs/dbraw/zinc/49/38/83/1091493883.db2.gz YZWYFRWRCOJKJL-RUDMXATFSA-N 0 0 337.379 2.320 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1ccnc(-n2cccn2)c1 ZINC001451945720 1098049819 /nfs/dbraw/zinc/04/98/19/1098049819.db2.gz BFGUMWQXZGPCMD-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1cc(Br)n[nH]1 ZINC001452936642 1105796845 /nfs/dbraw/zinc/79/68/45/1105796845.db2.gz QOFPADIQAJOUNM-UHFFFAOYSA-N 0 0 330.569 2.461 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCc2ccc(O)c(CO)c2)cc1 ZINC001455316791 1108425527 /nfs/dbraw/zinc/42/55/27/1108425527.db2.gz OZEGWLVJXACAIE-UHFFFAOYSA-N 0 0 342.355 2.019 10 10 EECERN CCCCCN(CC(N)=O)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001546078468 1109052267 /nfs/dbraw/zinc/05/22/67/1109052267.db2.gz OYSFHGMERIHANG-UHFFFAOYSA-N 0 0 336.413 2.430 10 10 EECERN O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C1=CC(=O)CS1 ZINC001463857131 1110382120 /nfs/dbraw/zinc/38/21/20/1110382120.db2.gz AMOBIHVYOUZAQR-UHFFFAOYSA-N 0 0 338.410 2.147 10 10 EECERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1ncnn1 ZINC001466399256 1110435089 /nfs/dbraw/zinc/43/50/89/1110435089.db2.gz PJFHACSSLBHOHO-AWEZNQCLSA-N 0 0 337.383 2.169 10 10 EECERN C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC001467259317 1110451951 /nfs/dbraw/zinc/45/19/51/1110451951.db2.gz ISYVYSWVNSAVIO-SNVBAGLBSA-N 0 0 329.360 2.129 10 10 EECERN COc1ccc([S@@](C)(=O)=NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001471989511 1110537694 /nfs/dbraw/zinc/53/76/94/1110537694.db2.gz PDANDOXCMWMADV-HSZRJFAPSA-N 0 0 335.381 2.332 10 10 EECERN Cc1nnc(N2CCO[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001511901709 1118310794 /nfs/dbraw/zinc/31/07/94/1118310794.db2.gz NWAQRYSHUXAACK-GFCCVEGCSA-N 0 0 333.411 2.065 10 10 EECERN COc1ccc(CCC(=O)NCc2cccc(O)c2O)cc1OC ZINC001528771430 1121163015 /nfs/dbraw/zinc/16/30/15/1121163015.db2.gz PAKKJTXVNSQAJM-UHFFFAOYSA-N 0 0 331.368 2.364 10 10 EECERN CC(=O)NC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 ZINC001536688627 1123775172 /nfs/dbraw/zinc/77/51/72/1123775172.db2.gz AQUBCBMLUKYRPF-HNNXBMFYSA-N 0 0 345.403 2.274 10 10 EECERN Cc1c(Br)cc([C@@H]([NH3+])CO)c([O-])c1Br ZINC000072199898 300909241 /nfs/dbraw/zinc/90/92/41/300909241.db2.gz ZHNMNOWCSUMBBX-ZETCQYMHSA-N 0 0 325.000 2.218 10 10 EECERN CCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)C(=O)N(CC)C1=S ZINC000005715880 462667218 /nfs/dbraw/zinc/66/72/18/462667218.db2.gz CRNICXQCMIKIFK-UHFFFAOYSA-N 0 0 348.424 2.083 10 10 EECERN CCOC(=O)COc1ccc(C(=O)c2ccc([O-])c(C[NH3+])c2)cc1 ZINC000029343585 463253562 /nfs/dbraw/zinc/25/35/62/463253562.db2.gz VUNJULKJSUZKCY-UHFFFAOYSA-N 0 0 329.352 2.024 10 10 EECERN CC1(C)CC[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1 ZINC000278198101 463957753 /nfs/dbraw/zinc/95/77/53/463957753.db2.gz FLKVVASOWHWXSY-MRXNPFEDSA-N 0 0 336.407 2.236 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000278688270 463975792 /nfs/dbraw/zinc/97/57/92/463975792.db2.gz SAVIDEBFLWUGSB-SFHVURJKSA-N 0 0 341.459 2.271 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000288851245 464060327 /nfs/dbraw/zinc/06/03/27/464060327.db2.gz AFLFZLMUZUNTLD-PBHICJAKSA-N 0 0 340.489 2.472 10 10 EECERN O=S(=O)(CC1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269753054 464081057 /nfs/dbraw/zinc/08/10/57/464081057.db2.gz ZYMHNUQEZYEQHL-HNNXBMFYSA-N 0 0 325.430 2.113 10 10 EECERN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187794544 464162838 /nfs/dbraw/zinc/16/28/38/464162838.db2.gz BRPDGXBWVAHXAC-ZJUUUORDSA-N 0 0 338.358 2.074 10 10 EECERN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)c(F)cc3[O-])[C@H]2C1 ZINC000293657613 464415757 /nfs/dbraw/zinc/41/57/57/464415757.db2.gz NPNIDEKHTRICTR-GOEBONIOSA-N 0 0 328.815 2.480 10 10 EECERN COc1cccc(CNC(=O)c2ccnn2CC(F)(F)F)c1O ZINC000294772093 464599712 /nfs/dbraw/zinc/59/97/12/464599712.db2.gz BXRATWPWMURSFA-UHFFFAOYSA-N 0 0 329.278 2.090 10 10 EECERN Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(Cl)c3[O-])C2=O)n(C)n1 ZINC000182483393 464666221 /nfs/dbraw/zinc/66/62/21/464666221.db2.gz CQUDAYPLLDUWHO-AWEZNQCLSA-N 0 0 348.834 2.373 10 10 EECERN O=C1COC[C@@H](C[C@@H]2CN(Cc3ccccc3O)c3ccccc32)N1 ZINC000368142909 466583236 /nfs/dbraw/zinc/58/32/36/466583236.db2.gz NOSLYTINTKGWSD-HZPDHXFCSA-N 0 0 338.407 2.401 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCn3cc(C)nc3C2)c([N+](=O)[O-])c1 ZINC000374712021 466721304 /nfs/dbraw/zinc/72/13/04/466721304.db2.gz BNZLIWWPPIWYCE-GQCTYLIASA-N 0 0 342.355 2.306 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC(F)(F)C[C@H]1CO ZINC000375280486 466833711 /nfs/dbraw/zinc/83/37/11/466833711.db2.gz VQJNGPIDJRPDLM-HNNXBMFYSA-N 0 0 339.386 2.198 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)c2ccsc2)c1 ZINC000728983063 576569061 /nfs/dbraw/zinc/56/90/61/576569061.db2.gz TUHOFVWDGPVYGL-SNVBAGLBSA-N 0 0 334.397 2.070 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cc(-n3ccnc3)ccn2)cc1F ZINC000771472098 577214363 /nfs/dbraw/zinc/21/43/63/577214363.db2.gz DZTURCMOYYWTDW-UHFFFAOYSA-N 0 0 339.374 2.402 10 10 EECERN O=C(NCc1ccccc1O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000772462766 577273938 /nfs/dbraw/zinc/27/39/38/577273938.db2.gz IQFSSOTWQJXWPQ-CQSZACIVSA-N 0 0 325.368 2.317 10 10 EECERN Cn1cc([C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(F)(F)F)cn1 ZINC000773851261 577368748 /nfs/dbraw/zinc/36/87/48/577368748.db2.gz VVUYGJAQCLZCSC-MFBWXBCUSA-N 0 0 341.289 2.264 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCSC[C@H]1CCO ZINC000775420918 577436996 /nfs/dbraw/zinc/43/69/96/577436996.db2.gz IJSPJSBXIKPQAH-QGZVFWFLSA-N 0 0 349.500 2.296 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCSC[C@@H]1CCO ZINC000775433863 577437153 /nfs/dbraw/zinc/43/71/53/577437153.db2.gz JDYNKYCLXBCUQT-KRWDZBQOSA-N 0 0 347.484 2.072 10 10 EECERN CN1C(=O)C(=Cc2ccc(C(=O)OC(C)(C)C)cc2)C(=O)N(C)C1=O ZINC000764887808 577490336 /nfs/dbraw/zinc/49/03/36/577490336.db2.gz HDGIKEOJDYFHQE-UHFFFAOYSA-N 0 0 344.367 2.076 10 10 EECERN CCOC(=O)CCN(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000768531036 577557856 /nfs/dbraw/zinc/55/78/56/577557856.db2.gz UITLMDNSNYFOAI-VURMDHGXSA-N 0 0 336.344 2.170 10 10 EECERN O=C(CN1CC[C@@H]2C[C@@H]21)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000761092224 577676441 /nfs/dbraw/zinc/67/64/41/577676441.db2.gz KJVKLWRJZOLABA-PXAZEXFGSA-N 0 0 346.386 2.495 10 10 EECERN COc1ccc2c(c1)CCCN2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000754642928 577809908 /nfs/dbraw/zinc/80/99/08/577809908.db2.gz NCFIMJARVXIXRU-CQSZACIVSA-N 0 0 338.473 2.119 10 10 EECERN O=C(NCc1ccccc1O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000748347421 577959732 /nfs/dbraw/zinc/95/97/32/577959732.db2.gz ZTIKCXWBJHXRTD-LBPRGKRZSA-N 0 0 346.333 2.340 10 10 EECERN CCN(C)c1ccc(CN2CCN(c3nccc(OC)n3)CC2)cc1 ZINC000741754502 578123592 /nfs/dbraw/zinc/12/35/92/578123592.db2.gz RDUWPSLDGHSWIK-UHFFFAOYSA-N 0 0 341.459 2.264 10 10 EECERN CSCCCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000736006390 578177715 /nfs/dbraw/zinc/17/77/15/578177715.db2.gz QSLGUCFSTMUMGE-HNNXBMFYSA-N 0 0 349.500 2.148 10 10 EECERN Cc1cc(Br)cc([C@H](C)NCc2cnn(C)n2)c1O ZINC000806166866 675379130 /nfs/dbraw/zinc/37/91/30/675379130.db2.gz CIYLVHVTOPPHDB-VIFPVBQESA-N 0 0 325.210 2.442 10 10 EECERN COC(=O)CCCCCCNC(=O)NCc1c(O)cccc1F ZINC000914211837 683372650 /nfs/dbraw/zinc/37/26/50/683372650.db2.gz GZUOXYOQOFTGFL-UHFFFAOYSA-N 0 0 326.368 2.454 10 10 EECERN COC(=O)[C@@H](CC1CCOCC1)NCc1cc(Cl)ccc1O ZINC000895592027 684658843 /nfs/dbraw/zinc/65/88/43/684658843.db2.gz SSERDYUFHMBTKK-CQSZACIVSA-N 0 0 327.808 2.494 10 10 EECERN O=C(NCCN1CCSCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896326051 684938034 /nfs/dbraw/zinc/93/80/34/684938034.db2.gz WFSQBXXHFZKOBG-UHFFFAOYSA-N 0 0 338.454 2.091 10 10 EECERN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896463631 684994736 /nfs/dbraw/zinc/99/47/36/684994736.db2.gz DXVKSELEWITTQW-QURMUULBSA-N 0 0 339.438 2.294 10 10 EECERN C[C@H](C[S@@](C)=O)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897374377 688611165 /nfs/dbraw/zinc/61/11/65/688611165.db2.gz RJQFFPSZOHHNHP-IJSAXESFSA-N 0 0 327.427 2.152 10 10 EECERN CO[C@H]1COCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897892048 691813718 /nfs/dbraw/zinc/81/37/18/691813718.db2.gz CJLMYUXWPGBJJI-ZANVPECISA-N 0 0 337.397 2.094 10 10 EECERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000898630605 693405283 /nfs/dbraw/zinc/40/52/83/693405283.db2.gz LRCCCEMVFOOFQY-HUHSQHJXSA-N 0 0 343.471 2.119 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000898720394 693427444 /nfs/dbraw/zinc/42/74/44/693427444.db2.gz IVQYEPQXGDXXHY-MWLCHTKSSA-N 0 0 346.408 2.053 10 10 EECERN COc1ccc(C[NH2+]C2(CNC(=O)c3cnc(C)cn3)CC2)cc1C ZINC001483713022 1190797277 /nfs/dbraw/zinc/79/72/77/1190797277.db2.gz CJJNOHJBJQYWJR-UHFFFAOYSA-N 0 0 340.427 2.154 10 10 EECERN COC(=O)c1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1C ZINC001137464891 1248640106 /nfs/dbraw/zinc/64/01/06/1248640106.db2.gz UWPQCMAVVHCJIX-UHFFFAOYSA-N 0 0 329.352 2.165 10 10 EECERN CN1CCCc2cc(CNC(=O)/C=C/COC3CCOCC3)ccc21 ZINC000865053644 1198065211 /nfs/dbraw/zinc/06/52/11/1198065211.db2.gz KZZZZUOXGKTVSY-HWKANZROSA-N 0 0 344.455 2.437 10 10 EECERN CO[C@H]1CN2C(=O)N(Cc3ccc(N(C)C)cc3C)C(=O)[C@@]2(C)C1 ZINC000865302966 1198160057 /nfs/dbraw/zinc/16/00/57/1198160057.db2.gz AYRJJOAZZKNDCK-CRAIPNDOSA-N 0 0 331.416 2.003 10 10 EECERN O=C(NC1COCCOC1)N(Cc1ccco1)Cc1ccccc1O ZINC000813818414 1199177055 /nfs/dbraw/zinc/17/70/55/1199177055.db2.gz QEVNGIIEYHFWCD-UHFFFAOYSA-N 0 0 346.383 2.112 10 10 EECERN COc1ccc2c(c1)C[C@@H](C(=O)N1Cc3cccc(O)c3C1)CO2 ZINC000871199353 1201096390 /nfs/dbraw/zinc/09/63/90/1201096390.db2.gz XIHVVLZBSXPUGA-CQSZACIVSA-N 0 0 325.364 2.494 10 10 EECERN O=C([C@H](C[C@H]1COCCO1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871205884 1201099631 /nfs/dbraw/zinc/09/96/31/1201099631.db2.gz MXNCPYIRARSROU-AAEUAGOBSA-N 0 0 345.317 2.218 10 10 EECERN Cc1cc(=O)[nH]cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122244754 1201858081 /nfs/dbraw/zinc/85/80/81/1201858081.db2.gz DDLHDXFCVWIZSZ-UHFFFAOYSA-N 0 0 343.452 2.167 10 10 EECERN CCn1nc(C)c([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000924710032 1206022345 /nfs/dbraw/zinc/02/23/45/1206022345.db2.gz GASYZEXSSUKJCJ-CYBMUJFWSA-N 0 0 347.438 2.433 10 10 EECERN COC[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925091487 1206068767 /nfs/dbraw/zinc/06/87/67/1206068767.db2.gz VYENAOFYKIPGHB-GSJFWJNXSA-N 0 0 338.791 2.235 10 10 EECERN Oc1ccccc1C[N@H+](C[C@@H](O)CCC1(O)CCC1)C[C@H]1CCCO1 ZINC000929973296 1206523880 /nfs/dbraw/zinc/52/38/80/1206523880.db2.gz YEKAGJAXIUEOKC-ZWKOTPCHSA-N 0 0 349.471 2.429 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)[C@]3(C)C=CCC3)cc2)CC1 ZINC000935570144 1208177878 /nfs/dbraw/zinc/17/78/78/1208177878.db2.gz UHDCTYWJAMVTRP-HXUWFJFHSA-N 0 0 341.455 2.328 10 10 EECERN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1C[C@H]1OC ZINC000935663900 1208195951 /nfs/dbraw/zinc/19/59/51/1208195951.db2.gz CDQMERIJIQDOHN-NVXWUHKLSA-N 0 0 348.443 2.410 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1nccn1CC(F)(F)F ZINC000779513281 1210403427 /nfs/dbraw/zinc/40/34/27/1210403427.db2.gz GXRQJQZCOKZYNB-DUXPYHPUSA-N 0 0 341.289 2.186 10 10 EECERN COC(=O)CCCCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000779748477 1210896454 /nfs/dbraw/zinc/89/64/54/1210896454.db2.gz GHHPNCUVIVRBSE-OAHLLOKOSA-N 0 0 348.443 2.434 10 10 EECERN COc1ccc(CNS(=O)(=O)c2cccc3ncccc32)c(O)c1 ZINC000795362919 1212013532 /nfs/dbraw/zinc/01/35/32/1212013532.db2.gz UFFOKGCMRJXPJR-UHFFFAOYSA-N 0 0 344.392 2.428 10 10 EECERN Cc1cc(Br)c(O)c(CN2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000800538644 1234283794 /nfs/dbraw/zinc/28/37/94/1234283794.db2.gz WYGYVPKGRRXSEA-JTQLQIEISA-N 0 0 327.222 2.126 10 10 EECERN C[C@@H](Cn1ncc2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 ZINC000802778518 1238204152 /nfs/dbraw/zinc/20/41/52/1238204152.db2.gz DKDQLZWJOZTBBZ-ZDUSSCGKSA-N 0 0 339.395 2.443 10 10 EECERN C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000850351569 1277193906 /nfs/dbraw/zinc/19/39/06/1277193906.db2.gz CWRCKOKSSPTXCT-SWLSCSKDSA-N 0 0 331.395 2.049 10 10 EECERN C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000850519185 1277257720 /nfs/dbraw/zinc/25/77/20/1277257720.db2.gz LQODWUTWFRBHHB-MRVPVSSYSA-N 0 0 329.315 2.159 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](C4CC4)C3)C2)cc1 ZINC000852451994 1292117899 /nfs/dbraw/zinc/11/78/99/1292117899.db2.gz SERUGNXSFSTCCB-YJBOKZPZSA-N 0 0 345.443 2.094 10 10 EECERN O=C(NCCO[C@@H]1CC1(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000852529827 1292127650 /nfs/dbraw/zinc/12/76/50/1292127650.db2.gz MGMHXNMYASZZFM-OAHLLOKOSA-N 0 0 340.370 2.494 10 10 EECERN C[C@@H](NC(=O)N1CCC2(COC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000853486231 1292395121 /nfs/dbraw/zinc/39/51/21/1292395121.db2.gz AYRBXEAOAYMZPI-OAHLLOKOSA-N 0 0 345.443 2.016 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000853964027 1292558310 /nfs/dbraw/zinc/55/83/10/1292558310.db2.gz GCVKOHONLZFQRD-PSMYOLFUSA-N 0 0 334.372 2.236 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(O)CCC[C@H]3C)C2)cc1 ZINC000854297016 1292708407 /nfs/dbraw/zinc/70/84/07/1292708407.db2.gz IIJAPQMMAWJJFF-VCBZYWHSSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCCOC3)C2)cc1 ZINC000854297419 1292709279 /nfs/dbraw/zinc/70/92/79/1292709279.db2.gz NEKMKTRQHWQMQJ-GOEBONIOSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@H](CO)CC3)C2)cc1 ZINC000854298971 1292710216 /nfs/dbraw/zinc/71/02/16/1292710216.db2.gz CZAVNOMFBJAOHF-JYJNAYRXSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3C(C)(C)O)C2)cc1 ZINC000854299718 1292711315 /nfs/dbraw/zinc/71/13/15/1292711315.db2.gz RCSFFXNXVMBAMF-WMLDXEAASA-N 0 0 347.459 2.219 10 10 EECERN Cc1cc(CC(=O)N2CCC[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000854828294 1292959395 /nfs/dbraw/zinc/95/93/95/1292959395.db2.gz VTNXSQIJDOCJMP-QGZVFWFLSA-N 0 0 325.412 2.113 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3oc(CO)cc3C)C2)cc1 ZINC000855223366 1293116860 /nfs/dbraw/zinc/11/68/60/1293116860.db2.gz GCIALYHGPAQTGS-CYBMUJFWSA-N 0 0 330.384 2.098 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(Cl)n(C)n3)C2)cc1 ZINC000855225198 1293117944 /nfs/dbraw/zinc/11/79/44/1293117944.db2.gz OZDKVGHAMXKSGT-NSHDSACASA-N 0 0 334.807 2.091 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(OC)nc3)C2)cc1 ZINC000855228412 1293119797 /nfs/dbraw/zinc/11/97/97/1293119797.db2.gz BXGBUOOBNGMSRJ-CQSZACIVSA-N 0 0 327.384 2.108 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CSCCS3)C2)cc1 ZINC000855232759 1293122184 /nfs/dbraw/zinc/12/21/84/1293122184.db2.gz XLOPQNQZRYACGN-WFASDCNBSA-N 0 0 338.498 2.239 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CNC(=O)c2ccccc21 ZINC000858452559 1294120387 /nfs/dbraw/zinc/12/03/87/1294120387.db2.gz LRMGEMHRJGBMLP-LJQANCHMSA-N 0 0 349.434 2.430 10 10 EECERN Cc1cc(CNC(=O)N2CN(C)C(=O)[C@H]2C)c(C)n1-c1ccccc1 ZINC000858906587 1294258104 /nfs/dbraw/zinc/25/81/04/1294258104.db2.gz OBMVCSGDZQFUKT-OAHLLOKOSA-N 0 0 340.427 2.424 10 10 EECERN Cc1ccc(O)c(CNC(=O)CSCC(=O)OC(C)(C)C)c1 ZINC000862760102 1295954633 /nfs/dbraw/zinc/95/46/33/1295954633.db2.gz MCJOLQSYOMZION-UHFFFAOYSA-N 0 0 325.430 2.392 10 10 EECERN COC(=O)c1cncc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000797635641 1304793614 /nfs/dbraw/zinc/79/36/14/1304793614.db2.gz BESVDWKORGMGAU-JTQLQIEISA-N 0 0 345.355 2.032 10 10 EECERN Oc1cc2c(cc1CN1CCC=C(Br)C1)[C@@H](O)CO2 ZINC000799575427 1305310591 /nfs/dbraw/zinc/31/05/91/1305310591.db2.gz YPUGSWLUZBYTNB-ZDUSSCGKSA-N 0 0 326.190 2.303 10 10 EECERN Cc1cc(O)c(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000840909277 1315433819 /nfs/dbraw/zinc/43/38/19/1315433819.db2.gz FZQDQMREOIEJAO-INIZCTEOSA-N 0 0 338.835 2.177 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000841571528 1315580380 /nfs/dbraw/zinc/58/03/80/1315580380.db2.gz YSHRRGKWAOROJR-JJRVBVJISA-N 0 0 340.489 2.089 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3c[nH]nc3CC)CC2)cc1 ZINC001253863964 1317953819 /nfs/dbraw/zinc/95/38/19/1317953819.db2.gz PYDHQXRJGJOPBU-UHFFFAOYSA-N 0 0 328.416 2.333 10 10 EECERN CC(=O)N(CCC(=O)NCc1cc(O)ccc1O)Cc1ccccc1 ZINC001303223351 1331350697 /nfs/dbraw/zinc/35/06/97/1331350697.db2.gz LROQUJUKNAYIIS-UHFFFAOYSA-N 0 0 342.395 2.153 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)c1cnc2c(c1)NC(=O)CO2 ZINC001304091077 1331376596 /nfs/dbraw/zinc/37/65/96/1331376596.db2.gz WGPNADILOHWUPN-UHFFFAOYSA-N 0 0 349.346 2.201 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3nccc(C)n3)CC2)cc1 ZINC001321017992 1332998986 /nfs/dbraw/zinc/99/89/86/1332998986.db2.gz CWPOATNTNJFMKL-UHFFFAOYSA-N 0 0 326.400 2.146 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC001329462024 1334655308 /nfs/dbraw/zinc/65/53/08/1334655308.db2.gz OYRRELLQNZGTFG-KRWDZBQOSA-N 0 0 339.395 2.013 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001330224028 1334807646 /nfs/dbraw/zinc/80/76/46/1334807646.db2.gz LZFIFMYUDNACDB-JKSUJKDBSA-N 0 0 330.428 2.436 10 10 EECERN C[C@H](C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1CC1 ZINC001339759105 1337068412 /nfs/dbraw/zinc/06/84/12/1337068412.db2.gz DAKDPLUQGLNIGB-MNOVXSKESA-N 0 0 345.403 2.272 10 10 EECERN COC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCOCC1 ZINC001351163001 1337791311 /nfs/dbraw/zinc/79/13/11/1337791311.db2.gz LNINTBJXFBNKMD-UHFFFAOYSA-N 0 0 332.444 2.441 10 10 EECERN O=C(NCCCSc1nccs1)c1ccc2c(n1)OCCO2 ZINC000847487732 1338099438 /nfs/dbraw/zinc/09/94/38/1338099438.db2.gz JQFIDOAPYJDAHP-UHFFFAOYSA-N 0 0 337.426 2.222 10 10 EECERN CC[C@@H]1C(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C(=O)N1C1CC1 ZINC000849358455 1339154250 /nfs/dbraw/zinc/15/42/50/1339154250.db2.gz WGROJDIIDDBCQH-NVXWUHKLSA-N 0 0 343.427 2.479 10 10 EECERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001611071693 1352294248 /nfs/dbraw/zinc/29/42/48/1352294248.db2.gz YMSJOLGGEULXIM-XAVKZTDYSA-N 0 0 325.364 2.428 10 10 EECERN O=C(N[C@@H](CO)Cc1ccncc1)c1cc2cc(O)c(O)cc2s1 ZINC001616775402 1352332144 /nfs/dbraw/zinc/33/21/44/1352332144.db2.gz GIYSPMWDHSKWDS-GFCCVEGCSA-N 0 0 344.392 2.041 10 10 EECERN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001617336019 1352340189 /nfs/dbraw/zinc/34/01/89/1352340189.db2.gz YNWUKTLUSFCVGA-SNVBAGLBSA-N 0 0 349.391 2.492 10 10 EECERN C[C@@]1(C(=O)NCc2cc(Cl)ccc2O)Oc2ccccc2NC1=O ZINC001557387590 1342448060 /nfs/dbraw/zinc/44/80/60/1342448060.db2.gz WJMXCUUKXHDSHL-KRWDZBQOSA-N 0 0 346.770 2.452 10 10 EECERN COC(=O)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001565798947 1342561941 /nfs/dbraw/zinc/56/19/41/1342561941.db2.gz NMHUFYBDDCRIDU-LBPRGKRZSA-N 0 0 334.376 2.414 10 10 EECERN C[C@H](NC(=O)NCc1c(O)cccc1F)c1nc(C(F)(F)F)no1 ZINC001676875425 1357228698 /nfs/dbraw/zinc/22/86/98/1357228698.db2.gz YXVFPNONOKDFGN-LURJTMIESA-N 0 0 348.256 2.494 10 10 EECERN O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1cc(O)ccc1O ZINC001593873701 1349873237 /nfs/dbraw/zinc/87/32/37/1349873237.db2.gz WXCMKVUOIAYUSC-CYBMUJFWSA-N 0 0 340.379 2.305 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC1CCN(CC(F)(F)F)CC1 ZINC001625224503 1352443288 /nfs/dbraw/zinc/44/32/88/1352443288.db2.gz NJSOJRGBJQXTEX-UHFFFAOYSA-N 0 0 346.349 2.031 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cc(Br)n[nH]1 ZINC001638573162 1352689788 /nfs/dbraw/zinc/68/97/88/1352689788.db2.gz LNVOXBKGTKEYDR-UHFFFAOYSA-N 0 0 347.172 2.356 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001652626230 1354097255 /nfs/dbraw/zinc/09/72/55/1354097255.db2.gz SVUWDOSLUSYIKZ-AWEZNQCLSA-N 0 0 341.285 2.466 10 10 EECERN Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC001653747018 1354131522 /nfs/dbraw/zinc/13/15/22/1354131522.db2.gz BTROICJYZOSAAQ-XYPYZODXSA-N 0 0 336.388 2.192 10 10 EECERN COC(=O)c1ccc(CNC(=O)NCc2c(O)cccc2F)s1 ZINC001683303971 1358188662 /nfs/dbraw/zinc/18/86/62/1358188662.db2.gz TZYICQIWTXNREO-UHFFFAOYSA-N 0 0 338.360 2.379 10 10 EECERN CC(C)(C)OC(=O)COCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000843766766 781483193 /nfs/dbraw/zinc/48/31/93/781483193.db2.gz RMPKVHQFYOCBSF-UHFFFAOYSA-N 0 0 348.443 2.261 10 10 EECERN CN1CCCc2cc(CNC(=O)c3cnn(C4CC4)c3N)ccc21 ZINC000906454454 783925943 /nfs/dbraw/zinc/92/59/43/783925943.db2.gz DRAKLGLQIDHHDE-UHFFFAOYSA-N 0 0 325.416 2.113 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H](C)[C@@H]3CCCO3)CC2)cc1F ZINC000906949520 784291772 /nfs/dbraw/zinc/29/17/72/784291772.db2.gz HRKMDYYFIPBQAI-CJNGLKHVSA-N 0 0 336.407 2.298 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(c3ccccn3)=NO2)c1 ZINC000907059882 784358139 /nfs/dbraw/zinc/35/81/39/784358139.db2.gz IWRHDGHBEGICOI-GTNSWQLSSA-N 0 0 341.367 2.166 10 10 EECERN CCOC(=O)C(C)(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817933478 785078674 /nfs/dbraw/zinc/07/86/74/785078674.db2.gz GICFMVKJTBDVGT-UHFFFAOYSA-N 0 0 347.440 2.388 10 10 EECERN C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C(=O)[O-] ZINC000818631097 785310591 /nfs/dbraw/zinc/31/05/91/785310591.db2.gz CEHYBJXZBVGDLF-CXAGYDPISA-N 0 0 336.407 2.347 10 10 EECERN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1cc(Cl)ccc1O ZINC001146233571 791143517 /nfs/dbraw/zinc/14/35/17/791143517.db2.gz WJQPGTIZIWNQAI-UHFFFAOYSA-N 0 0 347.758 2.124 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](O)CC[C@@H]3C)C2)cc1 ZINC000823732088 787914638 /nfs/dbraw/zinc/91/46/38/787914638.db2.gz BMYMQFSVNCSTQI-UXLLHSPISA-N 0 0 347.459 2.076 10 10 EECERN C[C@@H](NC(=O)c1coc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000844486476 789150452 /nfs/dbraw/zinc/15/04/52/789150452.db2.gz XJUBKZSZFUPMMG-LLVKDONJSA-N 0 0 336.413 2.240 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)c2cncnc2)cc1 ZINC000844856613 789402126 /nfs/dbraw/zinc/40/21/26/789402126.db2.gz QVVHJQJIZZTKCT-AWEZNQCLSA-N 0 0 328.416 2.184 10 10 EECERN CCC[C@@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000844909611 789480669 /nfs/dbraw/zinc/48/06/69/789480669.db2.gz HHASZEWARJXCBK-QAPCUYQASA-N 0 0 349.475 2.120 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)NCC[C@@H]2CCOC2)cc1 ZINC000845109810 789578956 /nfs/dbraw/zinc/57/89/56/789578956.db2.gz TTZALXYOLLTHSL-OAHLLOKOSA-N 0 0 335.448 2.199 10 10 EECERN Cc1nn(CC2CC2)c(C)c1CC(=O)NCc1ccc(O)c(O)c1 ZINC000845833404 789963223 /nfs/dbraw/zinc/96/32/23/789963223.db2.gz FZXRRXOVXCHZRV-UHFFFAOYSA-N 0 0 329.400 2.180 10 10 EECERN COC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1cccc(OC)c1 ZINC001147443002 791838916 /nfs/dbraw/zinc/83/89/16/791838916.db2.gz DAIVEAXUJMJBBN-AWEZNQCLSA-N 0 0 345.351 2.059 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)Cc2noc3c2CCCC3)cc1 ZINC000913862432 794414665 /nfs/dbraw/zinc/41/46/65/794414665.db2.gz MAOBHIFCZXBXPK-UHFFFAOYSA-N 0 0 349.456 2.239 10 10 EECERN Cn1cnc(CC[NH2+]Cc2cc(Br)cc(F)c2[O-])c1 ZINC000715766872 795500798 /nfs/dbraw/zinc/50/07/98/795500798.db2.gz YJMVGTWOXAHGOR-UHFFFAOYSA-N 0 0 328.185 2.360 10 10 EECERN CC(C)[C@@H](O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000153739382 796471015 /nfs/dbraw/zinc/47/10/15/796471015.db2.gz SGXLKXAEJMRVEU-INIZCTEOSA-N 0 0 337.489 2.056 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)CC1(F)CC1 ZINC000916371509 797588997 /nfs/dbraw/zinc/58/89/97/797588997.db2.gz NQMZMDHUTPSQHU-CYBMUJFWSA-N 0 0 328.453 2.414 10 10 EECERN C[C@@H](C(=O)NCc1c(O)cccc1O)n1ccc(C(F)(F)F)n1 ZINC001178917289 799699963 /nfs/dbraw/zinc/69/99/63/799699963.db2.gz NBUFNMWIRDQTAV-QMMMGPOBSA-N 0 0 329.278 2.191 10 10 EECERN COc1cccc(CNC(=O)c2cnn(CC(F)(F)F)c2)c1O ZINC000787131341 807011719 /nfs/dbraw/zinc/01/17/19/807011719.db2.gz NDWPTZBSBVXCLL-UHFFFAOYSA-N 0 0 329.278 2.090 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCSCC2)cc1 ZINC000788929701 807745094 /nfs/dbraw/zinc/74/50/94/807745094.db2.gz YOCCWMDMMRNSQW-UHFFFAOYSA-N 0 0 349.500 2.115 10 10 EECERN Cc1c(CN(C)C(=O)NCc2ccc(N(C)C)cc2C)cnn1C ZINC000790743328 808898763 /nfs/dbraw/zinc/89/87/63/808898763.db2.gz MAESJEDRXWMFPN-UHFFFAOYSA-N 0 0 329.448 2.445 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(F)(F)C1CCOCC1 ZINC000790867240 808950368 /nfs/dbraw/zinc/95/03/68/808950368.db2.gz RZSJUTORKHJMSS-JTQLQIEISA-N 0 0 329.343 2.207 10 10 EECERN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCSC1 ZINC000805159560 811164185 /nfs/dbraw/zinc/16/41/85/811164185.db2.gz JGPSXLVNQCOLFS-JTQLQIEISA-N 0 0 331.235 2.459 10 10 EECERN C[C@H](NC(=O)CO[C@@H](C)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000805199960 811183035 /nfs/dbraw/zinc/18/30/35/811183035.db2.gz KCJNEWNQCLJZMY-KBPBESRZSA-N 0 0 330.432 2.441 10 10 EECERN C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277638 811812632 /nfs/dbraw/zinc/81/26/32/811812632.db2.gz GTYBBAAIJKMKBV-VXGBXAGGSA-N 0 0 341.502 2.389 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N3NC(=O)C[C@@H]3C)ccc21 ZINC001440963517 1094220398 /nfs/dbraw/zinc/22/03/98/1094220398.db2.gz LERVUNRUYHRKEH-NSHDSACASA-N 0 0 329.400 2.170 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 ZINC001441894869 1096039732 /nfs/dbraw/zinc/03/97/32/1096039732.db2.gz QYGXSWYNKOEZNX-UHFFFAOYSA-N 0 0 339.311 2.432 10 10 EECERN COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)c(C)c1 ZINC001447369785 1102540403 /nfs/dbraw/zinc/54/04/03/1102540403.db2.gz GSCRPKLAAZJHQE-CQSZACIVSA-N 0 0 333.315 2.189 10 10 EECERN Cc1ccn2cnc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2c1 ZINC001447562680 1102867462 /nfs/dbraw/zinc/86/74/62/1102867462.db2.gz MFIWNCMVFFERNX-GFCCVEGCSA-N 0 0 325.368 2.415 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC001447700092 1103133403 /nfs/dbraw/zinc/13/34/03/1103133403.db2.gz GHKWTEBVOWYTOF-UHFFFAOYSA-N 0 0 346.358 2.244 10 10 EECERN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1Cc2cccc(O)c2C1 ZINC001455036977 1108129824 /nfs/dbraw/zinc/12/98/24/1108129824.db2.gz NENYPHHGKFGSJR-UHFFFAOYSA-N 0 0 342.307 2.228 10 10 EECERN CCCNC(=O)c1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001463910241 1110383274 /nfs/dbraw/zinc/38/32/74/1110383274.db2.gz WHVBLEOPHQXGEP-UHFFFAOYSA-N 0 0 328.368 2.419 10 10 EECERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001464353525 1110392306 /nfs/dbraw/zinc/39/23/06/1110392306.db2.gz ZYLPZSZTNDQSFS-FHLIZLRMSA-N 0 0 332.444 2.405 10 10 EECERN CCc1nnc([C@@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)[nH]1 ZINC001466583071 1110438856 /nfs/dbraw/zinc/43/88/56/1110438856.db2.gz NVZHKXVURYOUSR-SSDOTTSWSA-N 0 0 332.385 2.484 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC(C)(O)C2)CCCC1 ZINC001467709259 1110462310 /nfs/dbraw/zinc/46/23/10/1110462310.db2.gz PDVZDTQDWPEWLR-UHFFFAOYSA-N 0 0 328.412 2.122 10 10 EECERN CCC[C@@H](O)[C@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001468859343 1110481159 /nfs/dbraw/zinc/48/11/59/1110481159.db2.gz GULLNTZKYJIHPL-DZGCQCFKSA-N 0 0 336.457 2.407 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@](CO)(c2ccccc2)C1 ZINC001471049082 1110516343 /nfs/dbraw/zinc/51/63/43/1110516343.db2.gz BJEPXNGFYJKVPG-FQEVSTJZSA-N 0 0 341.407 2.193 10 10 EECERN CCOCc1nc([C@H](C)NC(=O)N2Cc3cccc(O)c3C2)no1 ZINC001478747523 1110657030 /nfs/dbraw/zinc/65/70/30/1110657030.db2.gz VQQINGWRWIESCJ-JTQLQIEISA-N 0 0 332.360 2.098 10 10 EECERN C[C@H](C(=O)NCc1cccc(O)c1O)n1ccc(C(F)(F)F)n1 ZINC001521850932 1119279743 /nfs/dbraw/zinc/27/97/43/1119279743.db2.gz BDTRYNSSFZCXQE-MRVPVSSYSA-N 0 0 329.278 2.191 10 10 EECERN CC[C@@H]1C(=O)NCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001530620137 1122034819 /nfs/dbraw/zinc/03/48/19/1122034819.db2.gz SRHIZFVMMRRCNB-GOSISDBHSA-N 0 0 339.439 2.374 10 10 EECERN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1C(=O)N(C)C ZINC001545266754 1124186175 /nfs/dbraw/zinc/18/61/75/1124186175.db2.gz HVYXXEYZXCUPLA-UHFFFAOYSA-N 0 0 328.368 2.289 10 10 EECERN CCn1nc(C)c(C[NH2+]Cc2cccc(Br)c2[O-])n1 ZINC000296802038 465234306 /nfs/dbraw/zinc/23/43/06/465234306.db2.gz MPSWQTOCUDNMFY-UHFFFAOYSA-N 0 0 325.210 2.364 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCCNC3=O)c2C)cc1 ZINC000065140267 462739854 /nfs/dbraw/zinc/73/98/54/462739854.db2.gz NWBCDXWLJXNVBN-KRWDZBQOSA-N 0 0 341.411 2.111 10 10 EECERN Cc1ccccc1C(=O)NCc1ccc(N2CCNC(=O)C2)c(F)c1 ZINC000069901253 463349622 /nfs/dbraw/zinc/34/96/22/463349622.db2.gz KRZWCSFATHVDJM-UHFFFAOYSA-N 0 0 341.386 2.000 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)cc1 ZINC000071828036 463433886 /nfs/dbraw/zinc/43/38/86/463433886.db2.gz UTFNERZVVARAIU-MRXNPFEDSA-N 0 0 342.443 2.418 10 10 EECERN O=C(NCc1ccc(N2CCNC(=O)C2)cc1)c1cccc(Cl)c1 ZINC000040519955 463460208 /nfs/dbraw/zinc/46/02/08/463460208.db2.gz SZUHNBMIOZAIIP-UHFFFAOYSA-N 0 0 343.814 2.206 10 10 EECERN Cc1cc(N2CCC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])C2)n(C)n1 ZINC000277656347 463924074 /nfs/dbraw/zinc/92/40/74/463924074.db2.gz GCDYPZBNNLZXHA-AWEZNQCLSA-N 0 0 345.403 2.101 10 10 EECERN C[C@H]1CN(c2ccc(CNC(=O)c3ccnnc3)cc2F)C[C@H](C)O1 ZINC000270496656 464259229 /nfs/dbraw/zinc/25/92/29/464259229.db2.gz VSKIUDAMHRKJEU-STQMWFEESA-N 0 0 344.390 2.159 10 10 EECERN CN(C)c1ccc(CNC(=O)NC[C@@H](O)Cc2ccccc2)cc1F ZINC000264302541 464293884 /nfs/dbraw/zinc/29/38/84/464293884.db2.gz OKUOTXPUDKSUOZ-INIZCTEOSA-N 0 0 345.418 2.295 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)Cn1cncn1 ZINC000266812653 464830869 /nfs/dbraw/zinc/83/08/69/464830869.db2.gz KGYZFTOHLVIEEK-HNNXBMFYSA-N 0 0 344.463 2.353 10 10 EECERN COc1cc(Cl)cc(CN2CCO[C@@H](Cn3cccn3)C2)c1O ZINC000184690820 465018762 /nfs/dbraw/zinc/01/87/62/465018762.db2.gz XRVYULXJSLSCGX-CQSZACIVSA-N 0 0 337.807 2.152 10 10 EECERN C[C@@H]1[C@@H](NC(=O)c2cccc(O)c2O)CC(=O)N1Cc1ccccc1 ZINC000366846365 465970355 /nfs/dbraw/zinc/97/03/55/465970355.db2.gz BLWCUGOZXXTOHX-DOMZBBRYSA-N 0 0 340.379 2.017 10 10 EECERN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(C)c2)C1 ZINC000370913611 467041882 /nfs/dbraw/zinc/04/18/82/467041882.db2.gz LRDGTFVUEIWBBV-LKGOPFMKSA-N 0 0 335.407 2.497 10 10 EECERN CCNC(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nn1 ZINC000413035218 467158490 /nfs/dbraw/zinc/15/84/90/467158490.db2.gz CAXGPKGASHTHMQ-UHFFFAOYSA-N 0 0 348.410 2.396 10 10 EECERN CCN(CC)c1ccc(CN2CCCN(CCOC)C(=O)C2)cc1 ZINC000191705444 528299672 /nfs/dbraw/zinc/29/96/72/528299672.db2.gz XDHFZSJLVMFZFR-UHFFFAOYSA-N 0 0 333.476 2.214 10 10 EECERN CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000076133700 528390884 /nfs/dbraw/zinc/39/08/84/528390884.db2.gz WZWBTJASTZHGLZ-INIZCTEOSA-N 0 0 349.500 2.461 10 10 EECERN Cc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)c(O)c1O ZINC000727004344 576385516 /nfs/dbraw/zinc/38/55/16/576385516.db2.gz TXPSDJILEQAEOG-UHFFFAOYSA-N 0 0 337.278 2.480 10 10 EECERN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000775371881 577436038 /nfs/dbraw/zinc/43/60/38/577436038.db2.gz XEAODMBDGVTHSZ-TUPWZPNASA-N 0 0 348.399 2.094 10 10 EECERN COCc1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)co1 ZINC000775888065 577447917 /nfs/dbraw/zinc/44/79/17/577447917.db2.gz SICRUOVBFWNFNU-AWEZNQCLSA-N 0 0 346.383 2.348 10 10 EECERN COc1cc(N(C)Cc2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000766789895 577524912 /nfs/dbraw/zinc/52/49/12/577524912.db2.gz JEJLBJIISFKOOU-UHFFFAOYSA-N 0 0 335.408 2.090 10 10 EECERN O=C(NCc1ccccc1O)c1nnn(C2CC2)c1C(F)(F)F ZINC000769362996 577575992 /nfs/dbraw/zinc/57/59/92/577575992.db2.gz CZDNTICEUOYTRP-UHFFFAOYSA-N 0 0 326.278 2.267 10 10 EECERN CC=CC[C@@H]1NC(=O)N([C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000761163768 577678205 /nfs/dbraw/zinc/67/82/05/577678205.db2.gz PSUUQQJOYUDSCR-GPAZVNKHSA-N 0 0 343.427 2.471 10 10 EECERN Cc1nc(NCc2ccc(N3CCSCC3)cc2)nc(N(C)C)n1 ZINC000764391395 577735201 /nfs/dbraw/zinc/73/52/01/577735201.db2.gz HVASWHHGGYPQOR-UHFFFAOYSA-N 0 0 344.488 2.411 10 10 EECERN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(C)nc2)C1 ZINC000754375129 577805254 /nfs/dbraw/zinc/80/52/54/577805254.db2.gz HCGCAGZRZNNWFG-BBVFFXRHSA-N 0 0 335.407 2.497 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746787934 577934040 /nfs/dbraw/zinc/93/40/40/577934040.db2.gz ZTILANIAUGSSIO-UHFFFAOYSA-N 0 0 342.399 2.301 10 10 EECERN COc1c(C)cc(C)cc1S(=O)(=O)NCCc1ccc(N)cc1 ZINC000262275404 679094007 /nfs/dbraw/zinc/09/40/07/679094007.db2.gz KZWMVKCLCKYWNL-UHFFFAOYSA-N 0 0 334.441 2.415 10 10 EECERN COC(=O)c1cn(CN2CCCc3cc(OC(F)F)ccc32)nn1 ZINC000158825730 679456704 /nfs/dbraw/zinc/45/67/04/679456704.db2.gz QEDYQJCMGLHMMD-UHFFFAOYSA-N 0 0 338.314 2.076 10 10 EECERN C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896903520 685762554 /nfs/dbraw/zinc/76/25/54/685762554.db2.gz OZGNPORORCYOKM-ONGXEEELSA-N 0 0 337.397 2.236 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000897734859 691774161 /nfs/dbraw/zinc/77/41/61/691774161.db2.gz JSLYCHRDOMFUBP-FZMZJTMJSA-N 0 0 349.408 2.333 10 10 EECERN C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897916233 691821776 /nfs/dbraw/zinc/82/17/76/691821776.db2.gz HHSDMXOQWOGZOB-VIFPVBQESA-N 0 0 331.397 2.407 10 10 EECERN CC(C)(C)N1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O ZINC000898078886 691867706 /nfs/dbraw/zinc/86/77/06/691867706.db2.gz NSNZMLJZTGLKCN-JTQLQIEISA-N 0 0 348.424 2.442 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)c2cncn2C)cc1 ZINC000898881750 693510657 /nfs/dbraw/zinc/51/06/57/693510657.db2.gz OXUQYQXPESGODW-QGZVFWFLSA-N 0 0 338.411 2.291 10 10 EECERN O=C(N[C@H]1CCCC12OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000898955339 693541959 /nfs/dbraw/zinc/54/19/59/693541959.db2.gz KKZAACVRNSFCKF-AWEZNQCLSA-N 0 0 335.381 2.338 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001648892276 1176755352 /nfs/dbraw/zinc/75/53/52/1176755352.db2.gz TYVSKZYMPWHMSV-KRZKBDHCSA-N 0 0 325.368 2.037 10 10 EECERN COc1ccc(C[NH2+][C@H]2CC=C(C(=O)[O-])C2)cc1Cn1cccn1 ZINC000871874221 1197947162 /nfs/dbraw/zinc/94/71/62/1197947162.db2.gz ILZLVUAVTNGSDK-INIZCTEOSA-N 0 0 327.384 2.203 10 10 EECERN CC[C@@H]1OCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000794851520 1198278257 /nfs/dbraw/zinc/27/82/57/1198278257.db2.gz CIAMBXMZFSPEOH-MSOLQXFVSA-N 0 0 332.444 2.297 10 10 EECERN Oc1ccc(Br)cc1CNC(=S)NCc1ccon1 ZINC000795153827 1200977006 /nfs/dbraw/zinc/97/70/06/1200977006.db2.gz HYNLZEWBVCENDE-UHFFFAOYSA-N 0 0 342.218 2.307 10 10 EECERN CCc1c(C(=O)NCc2ccc(N(C)C)cc2C)[nH]c(C)c1C(N)=O ZINC000123446770 1201022917 /nfs/dbraw/zinc/02/29/17/1201022917.db2.gz OZPYGOQJCCTRNL-UHFFFAOYSA-N 0 0 342.443 2.289 10 10 EECERN Cc1cc(N)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000868233989 1201772460 /nfs/dbraw/zinc/77/24/60/1201772460.db2.gz JCDQXBHHJDODEB-ZDUSSCGKSA-N 0 0 340.427 2.459 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1O ZINC000868410457 1201807687 /nfs/dbraw/zinc/80/76/87/1201807687.db2.gz MIZINCUBMMVQSY-USXIJHARSA-N 0 0 347.459 2.396 10 10 EECERN CC(C)C[C@@]1(C(=O)NCc2ccc3cccnc3c2O)CCNC1=O ZINC000868937569 1201909049 /nfs/dbraw/zinc/90/90/49/1201909049.db2.gz LAGISPBIWSBSFX-IBGZPJMESA-N 0 0 341.411 2.109 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC001297562507 1205761339 /nfs/dbraw/zinc/76/13/39/1205761339.db2.gz MJFFYXCDSIJISS-STQMWFEESA-N 0 0 328.405 2.078 10 10 EECERN CC(=O)C(=O)COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC000924161544 1205940317 /nfs/dbraw/zinc/94/03/17/1205940317.db2.gz YZLGUMOBJQSKNX-GFCCVEGCSA-N 0 0 329.393 2.017 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000924726812 1206024354 /nfs/dbraw/zinc/02/43/54/1206024354.db2.gz PNODUPZHWFKPNL-INIZCTEOSA-N 0 0 346.475 2.153 10 10 EECERN C[C@H](NC(=O)c1cc2c(cn1)nc[nH]c2=O)c1ccc(N(C)C)cc1 ZINC000777794418 1206486378 /nfs/dbraw/zinc/48/63/78/1206486378.db2.gz YHNGAIOWLJPSOA-NSHDSACASA-N 0 0 337.383 2.287 10 10 EECERN COc1ccc(N2CCN(Cc3cnn(CCF)c3)CC2)cc1F ZINC000929822394 1206505365 /nfs/dbraw/zinc/50/53/65/1206505365.db2.gz QQIHCJYGURCQIM-UHFFFAOYSA-N 0 0 336.386 2.323 10 10 EECERN CCCN(CC(=O)OC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000779427042 1210213619 /nfs/dbraw/zinc/21/36/19/1210213619.db2.gz ZGRNFIPALAKCHS-SOFGYWHQSA-N 0 0 336.344 2.170 10 10 EECERN CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000796548699 1221281946 /nfs/dbraw/zinc/28/19/46/1221281946.db2.gz YLMIREUMDQMMLR-MOPGFXCFSA-N 0 0 346.471 2.327 10 10 EECERN CCC/C=C/[C@H](O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000900386785 1234301293 /nfs/dbraw/zinc/30/12/93/1234301293.db2.gz GPRNBPXDVBYMLH-PWSDSBMBSA-N 0 0 332.444 2.418 10 10 EECERN COC(=O)[C@@](C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000900761825 1234774602 /nfs/dbraw/zinc/77/46/02/1234774602.db2.gz YHJFJMKBSBGINE-INIZCTEOSA-N 0 0 335.381 2.384 10 10 EECERN CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1[O-] ZINC000903363171 1240312975 /nfs/dbraw/zinc/31/29/75/1240312975.db2.gz MEXWVCNQWYZIKP-UKRRQHHQSA-N 0 0 347.864 2.290 10 10 EECERN CCOC1(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000850286975 1277142093 /nfs/dbraw/zinc/14/20/93/1277142093.db2.gz QSPQMEHRKVMFGF-UHFFFAOYSA-N 0 0 348.443 2.213 10 10 EECERN CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc(Cl)c1[O-] ZINC000850507363 1277254244 /nfs/dbraw/zinc/25/42/44/1277254244.db2.gz IWDFQUTUXNJMNS-GOEBONIOSA-N 0 0 329.824 2.254 10 10 EECERN C[C@@]1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1(F)F ZINC000852004493 1291950150 /nfs/dbraw/zinc/95/01/50/1291950150.db2.gz GJOKIILVCDBXPR-INIZCTEOSA-N 0 0 339.386 2.368 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cc(C)on3)C2)cc1 ZINC000852454925 1292118447 /nfs/dbraw/zinc/11/84/47/1292118447.db2.gz QTECPELKTXPCBR-AWEZNQCLSA-N 0 0 344.415 2.412 10 10 EECERN COCCC1(C)CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854297984 1292708935 /nfs/dbraw/zinc/70/89/35/1292708935.db2.gz UHXLSMOGTMSPQF-HNNXBMFYSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](SC)C3)C2)cc1 ZINC000854298224 1292709150 /nfs/dbraw/zinc/70/91/50/1292709150.db2.gz YMIIDASAJQIGLJ-BBRMVZONSA-N 0 0 335.473 2.421 10 10 EECERN COCCC(C)(C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299097 1292710479 /nfs/dbraw/zinc/71/04/79/1292710479.db2.gz LDVOPKQNQBMFLX-AWEZNQCLSA-N 0 0 335.448 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]([C@@H](C)O)C3)C2)cc1 ZINC000854299190 1292710488 /nfs/dbraw/zinc/71/04/88/1292710488.db2.gz FXRKIAFAMRNSPR-PMPSAXMXSA-N 0 0 347.459 2.076 10 10 EECERN CC[C@H](C[C@@H](C)CO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299925 1292711391 /nfs/dbraw/zinc/71/13/91/1292711391.db2.gz MGPUIEXUCWBCMT-OAGGEKHMSA-N 0 0 349.475 2.370 10 10 EECERN CC[C@@H]1COCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301654 1292712285 /nfs/dbraw/zinc/71/22/85/1292712285.db2.gz RRZRZBWPLKWKJX-HUUCEWRRSA-N 0 0 333.432 2.094 10 10 EECERN COC(=O)NCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854885740 1292980293 /nfs/dbraw/zinc/98/02/93/1292980293.db2.gz ZKWLUTAXOZIYHW-UHFFFAOYSA-N 0 0 329.400 2.109 10 10 EECERN COC[C@@H]1C[C@@H](O)CN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000855018176 1293035964 /nfs/dbraw/zinc/03/59/64/1293035964.db2.gz WQOJYECPGUHINA-RBUKOAKNSA-N 0 0 342.439 2.245 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cn(C(C)C)cn3)C2)cc1 ZINC000855225348 1293117267 /nfs/dbraw/zinc/11/72/67/1293117267.db2.gz MIFGDNJNWXCEMU-CQSZACIVSA-N 0 0 328.416 2.481 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CC(C)(C)COC(C)=O)C2)cc1 ZINC000855228137 1293120097 /nfs/dbraw/zinc/12/00/97/1293120097.db2.gz WBRKGMCAUKSWDU-HNNXBMFYSA-N 0 0 348.443 2.370 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccnc(N(C)C)c3)C2)cc1 ZINC000855230339 1293121145 /nfs/dbraw/zinc/12/11/45/1293121145.db2.gz GMBFFBLLKDLETK-OAHLLOKOSA-N 0 0 340.427 2.165 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)Oc3cccnc3)C2)cc1 ZINC000855232642 1293121760 /nfs/dbraw/zinc/12/17/60/1293121760.db2.gz WCUUCLBHLOGXML-GJZGRUSLSA-N 0 0 341.411 2.253 10 10 EECERN C=C/C(C)=C\CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000855396779 1293199446 /nfs/dbraw/zinc/19/94/46/1293199446.db2.gz WSYCNGHYVAOWHV-TVPGTPATSA-N 0 0 348.468 2.060 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1CCC(=O)CC1 ZINC000856211396 1293446502 /nfs/dbraw/zinc/44/65/02/1293446502.db2.gz OIJBFQWRFFRBEN-UHFFFAOYSA-N 0 0 330.428 2.023 10 10 EECERN CCc1onc(C)c1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212432 1293446560 /nfs/dbraw/zinc/44/65/60/1293446560.db2.gz LKTBWWPUSBNXIH-UHFFFAOYSA-N 0 0 343.427 2.437 10 10 EECERN Cc1ccc(C(=O)Nc2ccn(CC(=O)OC(C)(C)C)n2)c(O)c1O ZINC000856440448 1293527157 /nfs/dbraw/zinc/52/71/57/1293527157.db2.gz OZWTVLFNCDRVMW-UHFFFAOYSA-N 0 0 347.371 2.197 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccnc3C)C2)cc1 ZINC000858599612 1294164655 /nfs/dbraw/zinc/16/46/55/1294164655.db2.gz OWZOMVQQVPZLOC-MRXNPFEDSA-N 0 0 340.427 2.477 10 10 EECERN CO[C@@H](CS(=O)(=O)NCc1ccccc1O)c1ccc(F)cc1 ZINC000859002303 1294289917 /nfs/dbraw/zinc/28/99/17/1294289917.db2.gz ONBRXUXWCPMPQV-INIZCTEOSA-N 0 0 339.388 2.338 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(C2CCOCC2)n1 ZINC000860697368 1295069377 /nfs/dbraw/zinc/06/93/77/1295069377.db2.gz UUEKRZYXEPYMEN-GFCCVEGCSA-N 0 0 345.399 2.007 10 10 EECERN CO[C@@](C)(CO)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000862140013 1295717486 /nfs/dbraw/zinc/71/74/86/1295717486.db2.gz QOXBGVSMTIDIBO-LJQANCHMSA-N 0 0 344.411 2.034 10 10 EECERN Cc1cc(C(=O)NCc2cc(C)ccc2O)nn1C1CCOCC1 ZINC000862753979 1295949768 /nfs/dbraw/zinc/94/97/68/1295949768.db2.gz NKARWMVUEXQTKM-UHFFFAOYSA-N 0 0 329.400 2.487 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cncc(N3CCCC3=O)c2)c1 ZINC000862754308 1295950682 /nfs/dbraw/zinc/95/06/82/1295950682.db2.gz XICWNNYPFNWLJH-UHFFFAOYSA-N 0 0 325.368 2.152 10 10 EECERN CNC(=O)c1cccc(CCC(=O)NCc2cc(C)ccc2O)c1 ZINC000862758459 1295952801 /nfs/dbraw/zinc/95/28/01/1295952801.db2.gz ZVNXSUIDAQZEHM-UHFFFAOYSA-N 0 0 326.396 2.309 10 10 EECERN CCNC(=O)c1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000840247440 1315335119 /nfs/dbraw/zinc/33/51/19/1315335119.db2.gz MQRNJQHFTUTDKT-UHFFFAOYSA-N 0 0 339.443 2.461 10 10 EECERN O=C(NCCCSc1nccs1)N[C@H]1CCC[C@H](CO)C1 ZINC000840324901 1315351773 /nfs/dbraw/zinc/35/17/73/1315351773.db2.gz ILAHHRQKLSKVIS-RYUDHWBXSA-N 0 0 329.491 2.476 10 10 EECERN C[C@@H](O)[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000840975831 1315449650 /nfs/dbraw/zinc/44/96/50/1315449650.db2.gz ASNVLQKPCSKEGI-KDOFPFPSSA-N 0 0 349.431 2.167 10 10 EECERN Cc1cc([C@@H]([NH3+])CC(=O)NCCc2ccc(N)cc2)cc(Cl)n1 ZINC000841848010 1315622764 /nfs/dbraw/zinc/62/27/64/1315622764.db2.gz QCZKTZFHHWCLLF-HNNXBMFYSA-N 0 0 332.835 2.374 10 10 EECERN COC1(c2ccccc2)CN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841957289 1315643967 /nfs/dbraw/zinc/64/39/67/1315643967.db2.gz RCTDCJFSQIYXGH-UHFFFAOYSA-N 0 0 325.412 2.378 10 10 EECERN Nc1ccc(CCNC(=O)C(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000842136139 1315667592 /nfs/dbraw/zinc/66/75/92/1315667592.db2.gz VVMCOSBEBQKGEX-UHFFFAOYSA-N 0 0 337.423 2.121 10 10 EECERN COc1ccc(N2CC[C@@H](COC(=O)c3nn(C)cc3C)C2)cc1 ZINC000842876347 1315789616 /nfs/dbraw/zinc/78/96/16/1315789616.db2.gz XAYCAUDUIZFTSV-CQSZACIVSA-N 0 0 329.400 2.420 10 10 EECERN Cc1ccccc1C[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001154356961 1317098368 /nfs/dbraw/zinc/09/83/68/1317098368.db2.gz GURSCERAXZYJAR-INIZCTEOSA-N 0 0 340.383 2.491 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc(Br)ccc1O ZINC001156881181 1318256886 /nfs/dbraw/zinc/25/68/86/1318256886.db2.gz SZVAHYVTOXZMET-UHFFFAOYSA-N 0 0 338.157 2.496 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001156881248 1318257913 /nfs/dbraw/zinc/25/79/13/1318257913.db2.gz VSWXVCJOYHZFTN-ZDUSSCGKSA-N 0 0 344.367 2.002 10 10 EECERN CCn1ncc2cc(C(=O)NCc3c(O)cccc3O)c(C)nc21 ZINC001156885264 1318261733 /nfs/dbraw/zinc/26/17/33/1318261733.db2.gz BINPIHJBKZVCKH-UHFFFAOYSA-N 0 0 326.356 2.101 10 10 EECERN COc1ccc(/C=C\C(=O)NCc2c(O)cccc2O)cc1OC ZINC001156885626 1318263499 /nfs/dbraw/zinc/26/34/99/1318263499.db2.gz LDFULTNAQKCDEA-CLFYSBASSA-N 0 0 329.352 2.445 10 10 EECERN NC(=O)Nc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162607387 1320910290 /nfs/dbraw/zinc/91/02/90/1320910290.db2.gz PFNYXZBHHWYUAY-UHFFFAOYSA-N 0 0 336.351 2.361 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC001262256844 1322264571 /nfs/dbraw/zinc/26/45/71/1322264571.db2.gz WKODTSXHMXMAOI-DZGCQCFKSA-N 0 0 349.500 2.078 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C2=C3CCCN=C3NN2)cc1 ZINC001290324399 1328175257 /nfs/dbraw/zinc/17/52/57/1328175257.db2.gz FEVFRXDEOQDDQY-UHFFFAOYSA-N 0 0 341.459 2.045 10 10 EECERN O=C(NCc1ccccc1O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001294924356 1329764616 /nfs/dbraw/zinc/76/46/16/1329764616.db2.gz BJBSUEQGINVRBG-UHFFFAOYSA-N 0 0 344.323 2.392 10 10 EECERN COc1ccc(CNC(=O)CN2Cc3ccccc3OC2=O)c(O)c1 ZINC001296967764 1329935367 /nfs/dbraw/zinc/93/53/67/1329935367.db2.gz GISMKDFHQFFXKD-UHFFFAOYSA-N 0 0 342.351 2.032 10 10 EECERN COc1ccc(CNC(=O)Cc2ccc(-n3ccnc3)cc2)c(O)c1 ZINC001296968443 1329935407 /nfs/dbraw/zinc/93/54/07/1329935407.db2.gz NTSZPMVMPOUNGF-UHFFFAOYSA-N 0 0 337.379 2.445 10 10 EECERN Cc1nn(C)c(C)c1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001304722843 1331394192 /nfs/dbraw/zinc/39/41/92/1331394192.db2.gz DOPVHNUJNBRXKB-UHFFFAOYSA-N 0 0 340.431 2.327 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(CCCF)CC1 ZINC001332595177 1335858304 /nfs/dbraw/zinc/85/83/04/1335858304.db2.gz CPWXTBCEAUNYQW-UHFFFAOYSA-N 0 0 338.404 2.430 10 10 EECERN C[C@@H](CN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001335564275 1336395453 /nfs/dbraw/zinc/39/54/53/1336395453.db2.gz WVQWICOWLAWIBW-AWEZNQCLSA-N 0 0 338.407 2.497 10 10 EECERN COc1cc(Br)cc([C@H](C)NCc2cn(C)nn2)c1O ZINC000848545444 1338718340 /nfs/dbraw/zinc/71/83/40/1338718340.db2.gz WHSVEZLPPAALFA-QMMMGPOBSA-N 0 0 341.209 2.143 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](c3noc(C)n3)C2)cc1OC ZINC001612903283 1352312282 /nfs/dbraw/zinc/31/22/82/1352312282.db2.gz LECBZUXSRIGUQJ-SNVBAGLBSA-N 0 0 334.332 2.297 10 10 EECERN COc1ccc(CCCNC(=O)Cc2ccc(O)c(O)c2)cc1OC ZINC001542331488 1342328384 /nfs/dbraw/zinc/32/83/84/1342328384.db2.gz PNLUJSCHJWUWAT-UHFFFAOYSA-N 0 0 345.395 2.407 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C2CC2)[nH]c1=O ZINC001556157961 1342423142 /nfs/dbraw/zinc/42/31/42/1342423142.db2.gz NZJHDUGMPAYYNQ-JTQLQIEISA-N 0 0 328.368 2.437 10 10 EECERN Cn1nnn(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1=O ZINC001559441576 1342503685 /nfs/dbraw/zinc/50/36/85/1342503685.db2.gz SXLXFIBDTMLLAE-UHFFFAOYSA-N 0 0 337.343 2.031 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC/C=C/CNC(=O)CCCF)cc1 ZINC001583426672 1344899132 /nfs/dbraw/zinc/89/91/32/1344899132.db2.gz CFWSEUIFCISQJV-VJFMSJPNSA-N 0 0 349.366 2.001 10 10 EECERN COC(=O)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CC1 ZINC001583722491 1344921426 /nfs/dbraw/zinc/92/14/26/1344921426.db2.gz ICXDRXOXSSHRFR-GFCCVEGCSA-N 0 0 332.360 2.168 10 10 EECERN COc1ccc(-c2n[nH]cc2C(=O)NCc2cc(O)ccc2O)cc1 ZINC001593873191 1349873170 /nfs/dbraw/zinc/87/31/70/1349873170.db2.gz LAJQCICEVDPGKC-UHFFFAOYSA-N 0 0 339.351 2.427 10 10 EECERN CCc1n[nH]c(C(=O)NCc2c(O)cccc2O)c1Br ZINC001597573246 1349928053 /nfs/dbraw/zinc/92/80/53/1349928053.db2.gz AXOGWCMWSMOFEN-UHFFFAOYSA-N 0 0 340.177 2.076 10 10 EECERN COc1cccc2c(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cnn21 ZINC001624955204 1352435834 /nfs/dbraw/zinc/43/58/34/1352435834.db2.gz UNSREBYCGCXMMW-LLVKDONJSA-N 0 0 341.367 2.115 10 10 EECERN Cc1cn2ccnc(C(=O)NCc3ccc4cccnc4c3O)c2n1 ZINC001627073216 1352482456 /nfs/dbraw/zinc/48/24/56/1352482456.db2.gz MNPXYWZAVHHKAE-UHFFFAOYSA-N 0 0 333.351 2.222 10 10 EECERN COC(=O)c1coc(/C=C\C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001632680806 1352601037 /nfs/dbraw/zinc/60/10/37/1352601037.db2.gz FUKIBVITXAQPEI-VLWUPBBWSA-N 0 0 345.351 2.238 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1cccc(C=O)c1 ZINC001636058407 1352657266 /nfs/dbraw/zinc/65/72/66/1352657266.db2.gz APLINADYOUXNAR-UHFFFAOYSA-N 0 0 334.368 2.386 10 10 EECERN O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1cccc(O)c1O ZINC001637045617 1352671883 /nfs/dbraw/zinc/67/18/83/1352671883.db2.gz ITZLKOGZDABOGN-UHFFFAOYSA-N 0 0 349.774 2.189 10 10 EECERN CNC(=O)c1cc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2[nH]1 ZINC001639885743 1352703009 /nfs/dbraw/zinc/70/30/09/1352703009.db2.gz NBSSWMRHBQUZPG-UHFFFAOYSA-N 0 0 339.351 2.120 10 10 EECERN CS(=O)(=O)Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001644088405 1352757131 /nfs/dbraw/zinc/75/71/31/1352757131.db2.gz SULOYURFEUWXJH-UHFFFAOYSA-N 0 0 331.393 2.093 10 10 EECERN COCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccnc1 ZINC001644762514 1352768730 /nfs/dbraw/zinc/76/87/30/1352768730.db2.gz CYYVYWKVRABATL-PKYBCLHXSA-N 0 0 328.368 2.400 10 10 EECERN O=C(CCCNC(=O)c1cccnc1)NCc1cccc(Cl)c1O ZINC001653567312 1354127632 /nfs/dbraw/zinc/12/76/32/1354127632.db2.gz UCRQJZKEEVIYPB-UHFFFAOYSA-N 0 0 347.802 2.267 10 10 EECERN C[C@H](CN(C)C(=O)C1(C)CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001680021652 1357789188 /nfs/dbraw/zinc/78/91/88/1357789188.db2.gz LDDRUZVRIYTPNG-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN CSCc1nc(CNC(=O)NCc2cccc(Cl)c2O)n[nH]1 ZINC001685248443 1358315088 /nfs/dbraw/zinc/31/50/88/1358315088.db2.gz FOMIDJYVINXJJL-UHFFFAOYSA-N 0 0 341.824 2.026 10 10 EECERN O=C(/C=C\c1ccncn1)NCc1ccc(N2CCSCC2)cc1 ZINC000588393296 758100022 /nfs/dbraw/zinc/10/00/22/758100022.db2.gz JHXYTCXNYJZXIF-UTCJRWHESA-N 0 0 340.452 2.359 10 10 EECERN CC(C)Oc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)nc1 ZINC000785011053 758165495 /nfs/dbraw/zinc/16/54/95/758165495.db2.gz RKPCQIULHYBIKE-UHFFFAOYSA-N 0 0 331.324 2.320 10 10 EECERN CO[C@@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCSC1 ZINC000919908119 770441491 /nfs/dbraw/zinc/44/14/91/770441491.db2.gz DFRAHYINKBTYKY-GOSISDBHSA-N 0 0 347.484 2.384 10 10 EECERN COc1cccc(CNC(=O)NCCCc2c(C)nn(C)c2C)c1O ZINC000179788701 774246079 /nfs/dbraw/zinc/24/60/79/774246079.db2.gz FYNZUGCHEJCDQR-UHFFFAOYSA-N 0 0 346.431 2.183 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)COCC(=O)OC(C)(C)C ZINC000843820927 780107844 /nfs/dbraw/zinc/10/78/44/780107844.db2.gz ZSKAFEASNQPIGU-UHFFFAOYSA-N 0 0 337.416 2.489 10 10 EECERN Cc1cc(CC(=O)NCC(=O)NCC(F)F)c(C)n1-c1ccccc1 ZINC000846986930 790795814 /nfs/dbraw/zinc/79/58/14/790795814.db2.gz MKXNKUDCNDDVJJ-UHFFFAOYSA-N 0 0 349.381 2.134 10 10 EECERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC001126442077 781213484 /nfs/dbraw/zinc/21/34/84/781213484.db2.gz FGQWQQOEOGOJJR-UHFFFAOYSA-N 0 0 342.355 2.403 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCO1 ZINC000906740503 784117493 /nfs/dbraw/zinc/11/74/93/784117493.db2.gz XDBBGSWCJYBRBC-HNAYVOBHSA-N 0 0 346.471 2.327 10 10 EECERN Cc1cc(C)c(CC(=O)N2CCOc3cc(N(C)C)ccc32)c(=O)[nH]1 ZINC000906856915 784212773 /nfs/dbraw/zinc/21/27/73/784212773.db2.gz SETKLGDOOYKDOK-UHFFFAOYSA-N 0 0 341.411 2.438 10 10 EECERN COc1cc(N2CCN(C(=O)[C@@H]3CC34CC4)CC2)cc(OC)c1OC ZINC000817445461 784787156 /nfs/dbraw/zinc/78/71/56/784787156.db2.gz XNXRZFUSOCSZHS-AWEZNQCLSA-N 0 0 346.427 2.161 10 10 EECERN Cc1nn(C2CCOCC2)c(C)c1C(=O)NCc1ccc(O)cc1O ZINC000910944007 787146769 /nfs/dbraw/zinc/14/67/69/787146769.db2.gz QCUOFYDBKTZBQN-UHFFFAOYSA-N 0 0 345.399 2.193 10 10 EECERN CCc1nc[nH]c1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276386 787347013 /nfs/dbraw/zinc/34/70/13/787347013.db2.gz LXAIHYZLHSWFDB-CYBMUJFWSA-N 0 0 328.416 2.237 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H]1CC(C)(C)CO1 ZINC000911308590 787369525 /nfs/dbraw/zinc/36/95/25/787369525.db2.gz JZODBLRWQDPKKK-HNNXBMFYSA-N 0 0 349.427 2.489 10 10 EECERN C[C@H](NC(=O)c1cn(C)nc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000822786612 787377717 /nfs/dbraw/zinc/37/77/17/787377717.db2.gz UAAAZVQXDMTWJK-LBPRGKRZSA-N 0 0 348.834 2.401 10 10 EECERN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000911812055 787739000 /nfs/dbraw/zinc/73/90/00/787739000.db2.gz HNQGMQCTZYLSHO-DJLDLDEBSA-N 0 0 334.397 2.050 10 10 EECERN Cc1csc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000785432868 788285978 /nfs/dbraw/zinc/28/59/78/788285978.db2.gz JMKXNQQOACSPPW-GFCCVEGCSA-N 0 0 346.456 2.011 10 10 EECERN CSCCC(=O)NCc1cc(NC(=O)CCSC)ccc1O ZINC000923132308 788925993 /nfs/dbraw/zinc/92/59/93/788925993.db2.gz YSWNOXZYUXTLPI-UHFFFAOYSA-N 0 0 342.486 2.453 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H](C)[C@H]3CCCO3)CC2)c(OC)c1 ZINC000913482809 788932814 /nfs/dbraw/zinc/93/28/14/788932814.db2.gz XFSNRGYHCHYSOT-RHSMWYFYSA-N 0 0 348.443 2.168 10 10 EECERN Cc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000054785832 789002041 /nfs/dbraw/zinc/00/20/41/789002041.db2.gz KAMFEENOQWXVRC-UHFFFAOYSA-N 0 0 340.427 2.226 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1cncc(N2CCCC2=O)c1 ZINC001180421115 800425575 /nfs/dbraw/zinc/42/55/75/800425575.db2.gz WKESINCTRIBBCJ-UHFFFAOYSA-N 0 0 345.786 2.497 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000786994757 806958615 /nfs/dbraw/zinc/95/86/15/806958615.db2.gz BUWFUIPWJLKAKT-HALDLXJZSA-N 0 0 333.407 2.260 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)c1cnn(C)n1 ZINC000791764220 809413474 /nfs/dbraw/zinc/41/34/74/809413474.db2.gz JWUKPNQHCJSIIX-UHFFFAOYSA-N 0 0 344.396 2.324 10 10 EECERN CO[C@@H](C)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805075757 811144579 /nfs/dbraw/zinc/14/45/79/811144579.db2.gz FBATYTSUPUHNQE-VIFPVBQESA-N 0 0 331.210 2.379 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NOC1CCOCC1 ZINC000805306452 811206298 /nfs/dbraw/zinc/20/62/98/811206298.db2.gz IPEPYPRLQYDYIQ-UHFFFAOYSA-N 0 0 345.193 2.065 10 10 EECERN CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807075188 812087073 /nfs/dbraw/zinc/08/70/73/812087073.db2.gz QPHIPJJFYYBZFO-JQFCIGGWSA-N 0 0 347.459 2.004 10 10 EECERN C[C@H](NC(=O)NC[C@H](CO)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000807139985 812110804 /nfs/dbraw/zinc/11/08/04/812110804.db2.gz ISWKJOJTDYVTDU-WMLDXEAASA-N 0 0 342.443 2.284 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccnc1SCc1c(C)noc1C ZINC000808496724 812666810 /nfs/dbraw/zinc/66/68/10/812666810.db2.gz DNNDSWVZJSMETN-UHFFFAOYSA-N 0 0 348.380 2.294 10 10 EECERN CC(=O)C(=O)COC(=O)C(C)(C)c1cccc(Br)c1 ZINC000808512748 812683392 /nfs/dbraw/zinc/68/33/92/812683392.db2.gz OYIAWTXDCZONDR-UHFFFAOYSA-N 0 0 327.174 2.428 10 10 EECERN CCOc1ccc(C(C)(C)C(=O)OCC(=O)C(C)=O)cc1OCC ZINC000808536560 812708941 /nfs/dbraw/zinc/70/89/41/812708941.db2.gz UEFNDWFZUUSKOJ-UHFFFAOYSA-N 0 0 336.384 2.463 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)c2ccccc2F)cc1 ZINC001445541880 1091309079 /nfs/dbraw/zinc/30/90/79/1091309079.db2.gz PGSATQWKBGVGDN-AWEZNQCLSA-N 0 0 330.319 2.452 10 10 EECERN COc1cccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1O ZINC001445971605 1091928100 /nfs/dbraw/zinc/92/81/00/1091928100.db2.gz WKVANLCQVWRNHI-UHFFFAOYSA-N 0 0 334.303 2.307 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(SC)nc1O ZINC001449119913 1094117827 /nfs/dbraw/zinc/11/78/27/1094117827.db2.gz LHPPZKLFXDZTQK-UHFFFAOYSA-N 0 0 340.401 2.025 10 10 EECERN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1noc(C(F)(F)F)n1 ZINC001452061771 1098166219 /nfs/dbraw/zinc/16/62/19/1098166219.db2.gz GVZHVIPBYFIJGS-GLCRXLCDSA-N 0 0 343.261 2.390 10 10 EECERN CC(C)(C)OCc1cc(CNC(=O)Cc2ccc(O)c(O)c2)no1 ZINC001447977096 1103721057 /nfs/dbraw/zinc/72/10/57/1103721057.db2.gz AYWAOSGDCIHLBX-UHFFFAOYSA-N 0 0 334.372 2.260 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001470255488 1110503955 /nfs/dbraw/zinc/50/39/55/1110503955.db2.gz WPDOYBZJQZOWCD-UHFFFAOYSA-N 0 0 331.284 2.447 10 10 EECERN COC(=O)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)CC1CCCC1 ZINC001472285670 1110550428 /nfs/dbraw/zinc/55/04/28/1110550428.db2.gz DOMPOHXCACOLIJ-CQSZACIVSA-N 0 0 335.400 2.126 10 10 EECERN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1c(F)ccc(O)c1O ZINC001472521471 1110558056 /nfs/dbraw/zinc/55/80/56/1110558056.db2.gz XOJORFYZACPBID-QHCPKHFHSA-N 0 0 337.372 2.247 10 10 EECERN CNC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001542184790 1124111127 /nfs/dbraw/zinc/11/11/27/1124111127.db2.gz QMGJLTLYKRZREU-UHFFFAOYSA-N 0 0 334.759 2.292 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)C[C@@H]1CCCO1 ZINC000297590486 465262291 /nfs/dbraw/zinc/26/22/91/465262291.db2.gz CGTIKOZTQPAIAK-INIZCTEOSA-N 0 0 348.443 2.158 10 10 EECERN COc1cccc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1O ZINC000155428571 462890609 /nfs/dbraw/zinc/89/06/09/462890609.db2.gz JTLUYWCHQUXOEO-CYBMUJFWSA-N 0 0 326.352 2.143 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N(C)C)nc1 ZINC000276856805 463784072 /nfs/dbraw/zinc/78/40/72/463784072.db2.gz JJYCSLFUMMNXHS-LLVKDONJSA-N 0 0 330.388 2.312 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000279836774 464154375 /nfs/dbraw/zinc/15/43/75/464154375.db2.gz ZNUBXGRNHCUULD-KRWDZBQOSA-N 0 0 332.444 2.439 10 10 EECERN Cc1cc(C(=O)N2CC[C@@H](NC(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000270634181 464261819 /nfs/dbraw/zinc/26/18/19/464261819.db2.gz LZKLGYKSVQXCLA-CQSZACIVSA-N 0 0 344.390 2.116 10 10 EECERN COC(=O)[C@H](CC(C)C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000292790215 464343390 /nfs/dbraw/zinc/34/33/90/464343390.db2.gz MHMBUMNKNXWWIC-ZDUSSCGKSA-N 0 0 340.376 2.329 10 10 EECERN CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000274837709 464756363 /nfs/dbraw/zinc/75/63/63/464756363.db2.gz AKEKSTICUQEOJA-GOSISDBHSA-N 0 0 349.475 2.072 10 10 EECERN NC(=O)c1cc(Cl)nnc1NCc1ccc(N2CC=CC2)cc1 ZINC000301484803 465972476 /nfs/dbraw/zinc/97/24/76/465972476.db2.gz VTXBHMQFKVAJAX-UHFFFAOYSA-N 0 0 329.791 2.217 10 10 EECERN COC(=O)c1oc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1C ZINC000599609685 469308407 /nfs/dbraw/zinc/30/84/07/469308407.db2.gz GRAIGCCUNQVILC-UHFFFAOYSA-N 0 0 344.367 2.480 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)NC[C@](C)(CO)OC)ccc21 ZINC000655212691 471282514 /nfs/dbraw/zinc/28/25/14/471282514.db2.gz MTURGZGBXVDXDC-LJQANCHMSA-N 0 0 348.443 2.032 10 10 EECERN Cc1ccccc1CC(=O)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732280511 577165426 /nfs/dbraw/zinc/16/54/26/577165426.db2.gz CQQKYTPPKJGANA-UHFFFAOYSA-N 0 0 344.436 2.289 10 10 EECERN Cc1nc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)sc1C ZINC000771943245 577240274 /nfs/dbraw/zinc/24/02/74/577240274.db2.gz KGGNPBOJDDBUCL-UHFFFAOYSA-N 0 0 343.449 2.444 10 10 EECERN C[C@@H](NC(=O)NCCCN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000773630792 577355906 /nfs/dbraw/zinc/35/59/06/577355906.db2.gz VXFDSHJDZRROHL-CQSZACIVSA-N 0 0 332.448 2.125 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000773743262 577362279 /nfs/dbraw/zinc/36/22/79/577362279.db2.gz AESPPNGYVLSRIT-LLVKDONJSA-N 0 0 338.363 2.300 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000773766631 577363595 /nfs/dbraw/zinc/36/35/95/577363595.db2.gz BZNWDALLICZZMR-LLVKDONJSA-N 0 0 349.818 2.330 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCC12OCCO2 ZINC000774015040 577378341 /nfs/dbraw/zinc/37/83/41/577378341.db2.gz VVQXIECWJRAGAZ-CQSZACIVSA-N 0 0 332.400 2.021 10 10 EECERN COCCOc1ncccc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775032428 577427227 /nfs/dbraw/zinc/42/72/27/577427227.db2.gz HTENCVQXDIYTLF-UHFFFAOYSA-N 0 0 349.343 2.341 10 10 EECERN COC1(CO)CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000775206645 577432689 /nfs/dbraw/zinc/43/26/89/577432689.db2.gz XEOJDZOSAPKAKC-UHFFFAOYSA-N 0 0 344.249 2.436 10 10 EECERN C[C@H](NC(=O)NCc1cccc(Br)c1O)c1cn[nH]c1 ZINC000764802102 577488735 /nfs/dbraw/zinc/48/87/35/577488735.db2.gz YKEAXKOIANEZHG-QMMMGPOBSA-N 0 0 339.193 2.438 10 10 EECERN COC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000768456378 577556162 /nfs/dbraw/zinc/55/61/62/577556162.db2.gz MLOYPOSNIWAKJJ-LJQANCHMSA-N 0 0 346.427 2.230 10 10 EECERN CCCN(CCC)c1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000769502045 577579321 /nfs/dbraw/zinc/57/93/21/577579321.db2.gz SHGBVAIQWNHWFX-QGZVFWFLSA-N 0 0 347.503 2.338 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000762180456 577696705 /nfs/dbraw/zinc/69/67/05/577696705.db2.gz BNUVRIYQLUPKEB-WOLRVDTOSA-N 0 0 347.371 2.015 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC000763629376 577723659 /nfs/dbraw/zinc/72/36/59/577723659.db2.gz WZAGUUZMAKMTIR-RDTXWAMCSA-N 0 0 347.459 2.388 10 10 EECERN CCCCCOC1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000757971790 577867510 /nfs/dbraw/zinc/86/75/10/577867510.db2.gz BNXCIGBPNUNGBK-UHFFFAOYSA-N 0 0 335.360 2.321 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1CCC(=O)CC1 ZINC000746280624 577925259 /nfs/dbraw/zinc/92/52/59/577925259.db2.gz RMLOKWWDDVLCFU-UHFFFAOYSA-N 0 0 344.455 2.271 10 10 EECERN Cn1cc(/C=C\C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804739690 675612269 /nfs/dbraw/zinc/61/22/69/675612269.db2.gz OSLKVIFJYALZEG-DJWKRKHSSA-N 0 0 336.189 2.218 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H](C)[S@@](C)=O ZINC000165813702 682423201 /nfs/dbraw/zinc/42/32/01/682423201.db2.gz XFOGGFZYMVFHMA-DMZKTXOQSA-N 0 0 325.478 2.017 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@@](O)(C(F)(F)F)C2)cc1OC ZINC000191537252 684548651 /nfs/dbraw/zinc/54/86/51/684548651.db2.gz FOGYTCTWSSYWKI-LBPRGKRZSA-N 0 0 336.266 2.116 10 10 EECERN CCOc1cccc(CN[C@H](CC2CCOCC2)C(=O)OC)c1O ZINC000895589681 684652453 /nfs/dbraw/zinc/65/24/53/684652453.db2.gz FGPUDVOYNYQUOB-OAHLLOKOSA-N 0 0 337.416 2.239 10 10 EECERN CCc1nc(C(=O)NCc2cc(Br)ccc2O)no1 ZINC000796640460 686046731 /nfs/dbraw/zinc/04/67/31/686046731.db2.gz NXBANNATRQICSK-UHFFFAOYSA-N 0 0 326.150 2.030 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](Cn2ccnn2)C1 ZINC000898581269 693383000 /nfs/dbraw/zinc/38/30/00/693383000.db2.gz WKUZRFIBDNDKGL-JTQLQIEISA-N 0 0 344.396 2.066 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000898581271 693383200 /nfs/dbraw/zinc/38/32/00/693383200.db2.gz WKUZRFIBDNDKGL-SNVBAGLBSA-N 0 0 344.396 2.066 10 10 EECERN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1Cc2ccccc2C1=O ZINC000905318940 694601109 /nfs/dbraw/zinc/60/11/09/694601109.db2.gz SPTJKDABTFLIQS-CQSZACIVSA-N 0 0 337.423 2.413 10 10 EECERN [O-]c1c(F)c(F)ccc1C[NH2+]CCn1cc(Br)cn1 ZINC000703380238 1196458468 /nfs/dbraw/zinc/45/84/68/1196458468.db2.gz POABGCKRVJRHCY-UHFFFAOYSA-N 0 0 332.148 2.419 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCCO1 ZINC000794805241 1198008019 /nfs/dbraw/zinc/00/80/19/1198008019.db2.gz SUWASUYRJGCAQD-LLVKDONJSA-N 0 0 329.194 2.133 10 10 EECERN CC[C@H]1CCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000813593566 1199102786 /nfs/dbraw/zinc/10/27/86/1199102786.db2.gz BSPQAHJQULLRBM-CVEARBPZSA-N 0 0 344.459 2.082 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccncc1 ZINC000869295486 1199995765 /nfs/dbraw/zinc/99/57/65/1199995765.db2.gz WXYFWXOUXKVWJB-OAHLLOKOSA-N 0 0 339.439 2.463 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000869636298 1200191829 /nfs/dbraw/zinc/19/18/29/1200191829.db2.gz MYASLKIVODYRLA-IACUBPJLSA-N 0 0 337.169 2.036 10 10 EECERN CSc1cc(C(=O)OCC(=O)C(C)=O)ccc1Br ZINC000869636017 1200192046 /nfs/dbraw/zinc/19/20/46/1200192046.db2.gz LIYVYBILHJUBMR-UHFFFAOYSA-N 0 0 331.187 2.486 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCNc4ccccc4C3)cc2N1 ZINC000811726070 1200267026 /nfs/dbraw/zinc/26/70/26/1200267026.db2.gz QASXCRNIUCOVBV-UHFFFAOYSA-N 0 0 340.339 2.358 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](O)C3(C)C)CC2)cc1 ZINC000813058981 1201073181 /nfs/dbraw/zinc/07/31/81/1201073181.db2.gz QZOKOSYQKSGXMD-QGZVFWFLSA-N 0 0 347.459 2.219 10 10 EECERN O=C(c1nnn(C2CC2)c1C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871202394 1201098493 /nfs/dbraw/zinc/09/84/93/1201098493.db2.gz GMOSTSLNDZTGMX-UHFFFAOYSA-N 0 0 338.289 2.493 10 10 EECERN O=S(=O)(c1cccc2c1OCCC2)N1Cc2cccc(O)c2C1 ZINC000867691097 1201660054 /nfs/dbraw/zinc/66/00/54/1201660054.db2.gz RDIRCWGZPKCKGG-UHFFFAOYSA-N 0 0 331.393 2.422 10 10 EECERN CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/C(=O)N2CCn3nccc32)C1 ZINC000868151311 1201753480 /nfs/dbraw/zinc/75/34/80/1201753480.db2.gz PLAGHZFWYVVEPI-UZYOAWRESA-N 0 0 346.431 2.433 10 10 EECERN C[C@H](NC(=O)NCC1(S(C)(=O)=O)CCCC1)c1ccccc1O ZINC000868602630 1201843867 /nfs/dbraw/zinc/84/38/67/1201843867.db2.gz HZJLEQMQEXUFJE-LBPRGKRZSA-N 0 0 340.445 2.110 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(C)OC)C2)cc1 ZINC000868762616 1201874536 /nfs/dbraw/zinc/87/45/36/1201874536.db2.gz QXZPPTMTPZPOEW-AWEZNQCLSA-N 0 0 335.448 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ncc4n3CCCC4)C2)cc1 ZINC000869229163 1201969766 /nfs/dbraw/zinc/96/97/66/1201969766.db2.gz SIOJJAAUQWDYEY-AWEZNQCLSA-N 0 0 340.427 2.237 10 10 EECERN CCCC(=O)N[C@@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001299501106 1205307038 /nfs/dbraw/zinc/30/70/38/1205307038.db2.gz MLLXCFRMYKZFSE-KRWDZBQOSA-N 0 0 345.403 2.370 10 10 EECERN CC/C=C(\F)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000924252239 1205950963 /nfs/dbraw/zinc/95/09/63/1205950963.db2.gz IHBFLISJOOPYAC-XFQLMFQHSA-N 0 0 333.407 2.268 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](C)OC)CC2)cc1 ZINC000188879583 1208870672 /nfs/dbraw/zinc/87/06/72/1208870672.db2.gz GNCAWSNGFUYCMN-UONOGXRCSA-N 0 0 335.448 2.387 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2c2nccs2)cc1 ZINC000078798250 1210405605 /nfs/dbraw/zinc/40/56/05/1210405605.db2.gz NBTPGKFDSRXIKW-HNNXBMFYSA-N 0 0 330.457 2.494 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cnc(C2CC2)nc1 ZINC000779542364 1210459995 /nfs/dbraw/zinc/45/99/95/1210459995.db2.gz ONQHXPKLUBQNQW-KXFIGUGUSA-N 0 0 325.368 2.137 10 10 EECERN C[C@@H]1COCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000195347158 1211393814 /nfs/dbraw/zinc/39/38/14/1211393814.db2.gz KSGHESZGXWOSNE-QAPCUYQASA-N 0 0 332.444 2.154 10 10 EECERN CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000795710251 1214995596 /nfs/dbraw/zinc/99/55/96/1214995596.db2.gz MVYAAZIXXZAVGN-UHFFFAOYSA-N 0 0 343.335 2.486 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000305255624 1216160532 /nfs/dbraw/zinc/16/05/32/1216160532.db2.gz WLIHVYRNNQWGRI-TZMCWYRMSA-N 0 0 327.384 2.483 10 10 EECERN CN(Cc1ccccc1O)C(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1 ZINC000901052226 1235164411 /nfs/dbraw/zinc/16/44/11/1235164411.db2.gz HVTTZZNTFKLWHI-GOSISDBHSA-N 0 0 335.400 2.242 10 10 EECERN [NH3+][C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@H]1C(F)(F)F ZINC000903982129 1242854216 /nfs/dbraw/zinc/85/42/16/1242854216.db2.gz LHSDPTMSFVXPJI-PSASIEDQSA-N 0 0 339.155 2.476 10 10 EECERN CCOC(=O)CCC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000827203823 1250714044 /nfs/dbraw/zinc/71/40/44/1250714044.db2.gz XTSLFNPTKZVYBX-UHFFFAOYSA-N 0 0 339.363 2.432 10 10 EECERN CCOc1cccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850353104 1277196150 /nfs/dbraw/zinc/19/61/50/1277196150.db2.gz SJNQOKZCLBNULE-HNNXBMFYSA-N 0 0 326.396 2.468 10 10 EECERN Nc1ccc(NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 ZINC000850750654 1277325163 /nfs/dbraw/zinc/32/51/63/1277325163.db2.gz MYSZFAVWAWXFTJ-HZPDHXFCSA-N 0 0 330.432 2.034 10 10 EECERN CCc1nnc([C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000851717658 1277725401 /nfs/dbraw/zinc/72/54/01/1277725401.db2.gz NMDOWYZCMNBVPP-CQSZACIVSA-N 0 0 329.448 2.397 10 10 EECERN CCOC(=O)c1ccnc(NCc2c(O)cccc2O)c1[N+](=O)[O-] ZINC001187717916 1279627372 /nfs/dbraw/zinc/62/73/72/1279627372.db2.gz ZJSHLZRGTZZLHG-UHFFFAOYSA-N 0 0 333.300 2.190 10 10 EECERN C[C@]12COC[C@@H]1CN(C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000851986476 1291943323 /nfs/dbraw/zinc/94/33/23/1291943323.db2.gz ASSILAFGMSQDRP-LPHOPBHVSA-N 0 0 329.444 2.465 10 10 EECERN CCOC(C)(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852272638 1292074346 /nfs/dbraw/zinc/07/43/46/1292074346.db2.gz MXGKTOGQIQTUEP-CQSZACIVSA-N 0 0 335.448 2.388 10 10 EECERN COCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000852310330 1292086465 /nfs/dbraw/zinc/08/64/65/1292086465.db2.gz OMVJUEJZBMWTKM-OAHLLOKOSA-N 0 0 347.459 2.390 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CSC3(C)C)C2)cc1 ZINC000852313238 1292087750 /nfs/dbraw/zinc/08/77/50/1292087750.db2.gz FOHIFEQBDDIKLX-WFASDCNBSA-N 0 0 335.473 2.467 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3csnn3)C2)cc1 ZINC000852382261 1292102374 /nfs/dbraw/zinc/10/23/74/1292102374.db2.gz DRWOKGYKHZBBLU-NEPJUHHUSA-N 0 0 347.444 2.186 10 10 EECERN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@](C)(C(F)F)O1 ZINC000853630701 1292427976 /nfs/dbraw/zinc/42/79/76/1292427976.db2.gz HOGRWZCJLQYCKB-HDIHMHJESA-N 0 0 329.343 2.063 10 10 EECERN CCN(C[C@H](C)OC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296887 1292707901 /nfs/dbraw/zinc/70/79/01/1292707901.db2.gz HKUGPWKIRNHJTH-GJZGRUSLSA-N 0 0 335.448 2.340 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)OC[C@H]3C)C2)cc1 ZINC000854300226 1292711078 /nfs/dbraw/zinc/71/10/78/1292711078.db2.gz XEAGHBGBNBEMRL-KFWWJZLASA-N 0 0 333.432 2.093 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccc(=O)[nH]c1 ZINC000854948271 1292998047 /nfs/dbraw/zinc/99/80/47/1292998047.db2.gz NAPIQMKLIOOVLL-AWEZNQCLSA-N 0 0 327.428 2.452 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@@]23C[C@@H]2COC3(C)C)cc1 ZINC000855020669 1293035906 /nfs/dbraw/zinc/03/59/06/1293035906.db2.gz UWTLOVYCYBDBIR-AUUYWEPGSA-N 0 0 332.444 2.405 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)C(=O)OC(C)(C)C)C2)cc1 ZINC000855225169 1293117564 /nfs/dbraw/zinc/11/75/64/1293117564.db2.gz OWDGPRFRRFMIFN-KBPBESRZSA-N 0 0 348.443 2.368 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCn3cc(Cl)cn3)C2)cc1 ZINC000855229375 1293120768 /nfs/dbraw/zinc/12/07/68/1293120768.db2.gz JKQIRRNEPGXVDU-AWEZNQCLSA-N 0 0 348.834 2.330 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(=O)[nH]c3C)C2)cc1 ZINC000855234061 1293123012 /nfs/dbraw/zinc/12/30/12/1293123012.db2.gz RJDSLKBUKQPYIA-ZDUSSCGKSA-N 0 0 327.384 2.113 10 10 EECERN CCOC(=O)C1=CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000858791264 1294226841 /nfs/dbraw/zinc/22/68/41/1294226841.db2.gz LZVCZOKTENRVLL-OAHLLOKOSA-N 0 0 331.416 2.204 10 10 EECERN Cc1ccc(O)c(CNC(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 ZINC000862024862 1295658552 /nfs/dbraw/zinc/65/85/52/1295658552.db2.gz DFHOTVTUXKOUDD-LBPRGKRZSA-N 0 0 342.399 2.123 10 10 EECERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862759238 1295953080 /nfs/dbraw/zinc/95/30/80/1295953080.db2.gz YXEJBMMICXGADU-GXTWGEPZSA-N 0 0 336.457 2.264 10 10 EECERN COc1ccc(N2CCN(C(=O)C3CC4(CSC4)C3)CC2)cc1 ZINC000864471195 1296555202 /nfs/dbraw/zinc/55/52/02/1296555202.db2.gz YZBBGVYSGKESDN-UHFFFAOYSA-N 0 0 332.469 2.487 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(C)c1C1CC1 ZINC000797645237 1304796171 /nfs/dbraw/zinc/79/61/71/1304796171.db2.gz CPTAZLHVTWSXPW-JTQLQIEISA-N 0 0 330.388 2.461 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccnc3[nH]c(C)nc32)c1 ZINC000797942887 1304888717 /nfs/dbraw/zinc/88/87/17/1304888717.db2.gz KIAFSKITAJKWNJ-VIFPVBQESA-N 0 0 326.356 2.472 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2nc(C(F)(F)F)no2)cc1 ZINC001138143527 1314555632 /nfs/dbraw/zinc/55/56/32/1314555632.db2.gz OXEKMDQTEQABHL-UHFFFAOYSA-N 0 0 342.237 2.181 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840488305 1315370583 /nfs/dbraw/zinc/37/05/83/1315370583.db2.gz LEGYBYKZIQYRIU-GOEBONIOSA-N 0 0 347.459 2.197 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC001152814389 1316727718 /nfs/dbraw/zinc/72/77/18/1316727718.db2.gz CMUIIERBIZRVDL-CYBMUJFWSA-N 0 0 342.399 2.042 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001153798971 1316885768 /nfs/dbraw/zinc/88/57/68/1316885768.db2.gz ZFKDFMFMPWCWIL-KGLIPLIRSA-N 0 0 328.324 2.426 10 10 EECERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1c(O)cccc1O ZINC001156881184 1318257923 /nfs/dbraw/zinc/25/79/23/1318257923.db2.gz TUGNVZVEIFOPDP-UHFFFAOYSA-N 0 0 334.353 2.415 10 10 EECERN CCC(=O)N1CC[C@H](C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001157042041 1318363840 /nfs/dbraw/zinc/36/38/40/1318363840.db2.gz UYMAUCDFAATVMQ-AWEZNQCLSA-N 0 0 326.396 2.420 10 10 EECERN CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccn1 ZINC001299615354 1319648158 /nfs/dbraw/zinc/64/81/58/1319648158.db2.gz SJJPVGALKHVAME-CYBMUJFWSA-N 0 0 349.412 2.040 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1ncn(-c2ccccc2)n1 ZINC001299722115 1321988990 /nfs/dbraw/zinc/98/89/90/1321988990.db2.gz ZHTQYDZOLBCNEU-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1noc(C(F)F)n1 ZINC001299107131 1330162240 /nfs/dbraw/zinc/16/22/40/1330162240.db2.gz TZFKNWOENNTCIO-YSCPKTQFSA-N 0 0 325.271 2.309 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1noc(-c2ccc(F)cc2)n1 ZINC001303225216 1331350391 /nfs/dbraw/zinc/35/03/91/1331350391.db2.gz BRTDLCVCOSZALI-UHFFFAOYSA-N 0 0 329.287 2.217 10 10 EECERN CCOC(=O)[C@@](C)(CNC(=O)Cc1ccc(O)c(O)c1)CC(C)C ZINC001303943176 1331370156 /nfs/dbraw/zinc/37/01/56/1331370156.db2.gz BCAFKNKLJRWSSD-GOSISDBHSA-N 0 0 337.416 2.372 10 10 EECERN COC(=O)C1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC001305291624 1331423123 /nfs/dbraw/zinc/42/31/23/1331423123.db2.gz OVAGVCHDJHQHHR-UHFFFAOYSA-N 0 0 330.359 2.478 10 10 EECERN O=C(c1cccc(O)c1O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001326560580 1334115678 /nfs/dbraw/zinc/11/56/78/1334115678.db2.gz NRFIZVRGBVZKRO-RDTXWAMCSA-N 0 0 331.343 2.038 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@](C)(COC)C2)cc1 ZINC001331505432 1335024999 /nfs/dbraw/zinc/02/49/99/1335024999.db2.gz UMTJCOGGAGJSJJ-LJQANCHMSA-N 0 0 349.475 2.480 10 10 EECERN CC1(C)C[C@]1(C)CNC(=O)C(=O)NCCCSc1nccs1 ZINC001332124469 1335736369 /nfs/dbraw/zinc/73/63/69/1335736369.db2.gz HIPXBKFQJCFZNO-OAHLLOKOSA-N 0 0 341.502 2.294 10 10 EECERN COC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(N2CCCC2)cc1 ZINC001334327193 1336239588 /nfs/dbraw/zinc/23/95/88/1336239588.db2.gz PFDUHGUMNVVUSP-QZTJIDSGSA-N 0 0 332.444 2.487 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cc(-c3ccn(C)n3)on2)cc1F ZINC001356250953 1338810187 /nfs/dbraw/zinc/81/01/87/1338810187.db2.gz OVBCHLXTCNAXMV-UHFFFAOYSA-N 0 0 343.362 2.210 10 10 EECERN CCCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)C1CC1 ZINC001356487132 1338825398 /nfs/dbraw/zinc/82/53/98/1338825398.db2.gz USJRBXOLCFVDCK-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC001617151111 1352337227 /nfs/dbraw/zinc/33/72/27/1352337227.db2.gz DMUWXNGRUABTQR-CQSZACIVSA-N 0 0 343.387 2.076 10 10 EECERN CC[C@@](O)(CCC(F)(F)F)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001558608790 1342485039 /nfs/dbraw/zinc/48/50/39/1342485039.db2.gz NCLOIHXQTDSITM-CQSZACIVSA-N 0 0 335.322 2.240 10 10 EECERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(O)ccc1O ZINC001593873196 1349873178 /nfs/dbraw/zinc/87/31/78/1349873178.db2.gz LBXIYEMPADPCTE-AWEZNQCLSA-N 0 0 338.404 2.263 10 10 EECERN O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1c(O)cccc1O ZINC001597573794 1349928157 /nfs/dbraw/zinc/92/81/57/1349928157.db2.gz GVYLYIFMFFNBNA-UHFFFAOYSA-N 0 0 340.379 2.305 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@H]12 ZINC001632268094 1352595359 /nfs/dbraw/zinc/59/53/59/1352595359.db2.gz KODCDKBIXVQWTK-KFWWJZLASA-N 0 0 347.411 2.221 10 10 EECERN COC1([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)CCOCC1 ZINC001639388409 1352697914 /nfs/dbraw/zinc/69/79/14/1352697914.db2.gz CEBJKAOOCHHJSJ-LLVKDONJSA-N 0 0 334.376 2.163 10 10 EECERN CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](Cc2ccccc2)C1 ZINC001639822929 1352702095 /nfs/dbraw/zinc/70/20/95/1352702095.db2.gz QUYCZAHOPNUJIK-KRWDZBQOSA-N 0 0 340.423 2.026 10 10 EECERN CC(C)(C)OC(=O)N(CC(=O)NCc1c(O)cccc1O)C1CC1 ZINC001645363527 1352776920 /nfs/dbraw/zinc/77/69/20/1352776920.db2.gz YXZZRWFLTQAUQT-UHFFFAOYSA-N 0 0 336.388 2.114 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001650962191 1354035665 /nfs/dbraw/zinc/03/56/65/1354035665.db2.gz NDIUGOOKYUQLBV-INIZCTEOSA-N 0 0 337.379 2.395 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(Br)cc1O ZINC001652626467 1354097840 /nfs/dbraw/zinc/09/78/40/1354097840.db2.gz WBPZZNORGPGHRF-UHFFFAOYSA-N 0 0 338.157 2.496 10 10 EECERN COC(=O)c1cccc2c1CCN2C(=O)Cc1ccc(O)c(O)c1 ZINC001652672275 1354099435 /nfs/dbraw/zinc/09/94/35/1354099435.db2.gz GNZBROZDYSXBIS-UHFFFAOYSA-N 0 0 327.336 2.016 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC001652927776 1354108400 /nfs/dbraw/zinc/10/84/00/1354108400.db2.gz GHBNKLCJOQKIFQ-WFASDCNBSA-N 0 0 346.387 2.117 10 10 EECERN CC(=O)Nc1cccc2c1CN(C(=O)c1c(F)ccc(O)c1O)CC2 ZINC001654769989 1354157308 /nfs/dbraw/zinc/15/73/08/1354157308.db2.gz NQMFUSYVHCEGIM-UHFFFAOYSA-N 0 0 344.342 2.394 10 10 EECERN CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1ccccn1 ZINC001663343203 1354951417 /nfs/dbraw/zinc/95/14/17/1354951417.db2.gz YZZUDGPEPAYENT-UHFFFAOYSA-N 0 0 340.387 2.106 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC3(C2)OCCO3)c1 ZINC001680834400 1357921712 /nfs/dbraw/zinc/92/17/12/1357921712.db2.gz MXRBCNBKSVQKCU-NWDGAFQWSA-N 0 0 336.388 2.057 10 10 EECERN COC(=O)c1cncc(COc2ccc(N(C)C)c(C(=O)OC)c2)c1 ZINC000918649604 769280379 /nfs/dbraw/zinc/28/03/79/769280379.db2.gz CGWJJGIANUFWET-UHFFFAOYSA-N 0 0 344.367 2.300 10 10 EECERN COc1ccc(O)c(CNC(=O)NCC[C@H](N(C)C)C(F)(F)F)c1 ZINC000918745073 769364494 /nfs/dbraw/zinc/36/44/94/769364494.db2.gz BNTQRAPGMWLVBS-ZDUSSCGKSA-N 0 0 349.353 2.083 10 10 EECERN CN1CCCc2cc(CNC(=O)C(=O)N3CCC34CCCC4)ccc21 ZINC000846727010 790469949 /nfs/dbraw/zinc/46/99/49/790469949.db2.gz OADVPMCGKJDVQS-UHFFFAOYSA-N 0 0 341.455 2.230 10 10 EECERN CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CO1 ZINC000722502976 778980283 /nfs/dbraw/zinc/98/02/83/778980283.db2.gz SFHHYJNGMCUTEY-NSHDSACASA-N 0 0 330.331 2.311 10 10 EECERN COC(C)(C)CS(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000840913235 783247393 /nfs/dbraw/zinc/24/73/93/783247393.db2.gz CPAGUUODDIQZNR-UHFFFAOYSA-N 0 0 331.434 2.484 10 10 EECERN COC(=O)[C@H](CF)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809776726 783342129 /nfs/dbraw/zinc/34/21/29/783342129.db2.gz OUTCJEKWPOIRPT-ZDUSSCGKSA-N 0 0 339.367 2.186 10 10 EECERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000906671259 784068851 /nfs/dbraw/zinc/06/88/51/784068851.db2.gz PKRZUAMYXCUESW-WDEREUQCSA-N 0 0 328.459 2.331 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H](C)[C@@H]3CCCO3)CC2)cc1F ZINC000906949518 784291292 /nfs/dbraw/zinc/29/12/92/784291292.db2.gz HRKMDYYFIPBQAI-BBRMVZONSA-N 0 0 336.407 2.298 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+](C[C@H](O)CO)C(C)C)c1 ZINC000817417717 784769225 /nfs/dbraw/zinc/76/92/25/784769225.db2.gz ODSQANNANKAGSH-LBPRGKRZSA-N 0 0 332.238 2.027 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1CCCC1CCOCC1 ZINC000819169359 785443727 /nfs/dbraw/zinc/44/37/27/785443727.db2.gz HICMXDCKLYJDDI-UHFFFAOYSA-N 0 0 332.400 2.363 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)c3ccnn3C)C2)cc1 ZINC000819587207 785597114 /nfs/dbraw/zinc/59/71/14/785597114.db2.gz IEWKPINGHUBEPB-GJZGRUSLSA-N 0 0 342.443 2.175 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2nnn(C(C)(C)C)n2)cc1 ZINC000822607443 787284528 /nfs/dbraw/zinc/28/45/28/787284528.db2.gz IITACGUBBSAHOB-UHFFFAOYSA-N 0 0 330.436 2.204 10 10 EECERN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)cc2)C1 ZINC000822936686 787469575 /nfs/dbraw/zinc/46/95/75/787469575.db2.gz CKOBFTMEHYFOPP-MWDXBVQZSA-N 0 0 341.455 2.051 10 10 EECERN CC1(C)CC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000822938771 787471233 /nfs/dbraw/zinc/47/12/33/787471233.db2.gz XDFQZMOEFPPVEN-NVXWUHKLSA-N 0 0 343.471 2.441 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)c3cn[nH]c3)C2)cc1 ZINC000823415316 787718385 /nfs/dbraw/zinc/71/83/85/787718385.db2.gz JIIBHEDINFFPFA-KBPBESRZSA-N 0 0 343.431 2.305 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)Cc1cnc(OC)nc1C ZINC000823576287 787803427 /nfs/dbraw/zinc/80/34/27/787803427.db2.gz LMTWZWNDMGPQPL-UHFFFAOYSA-N 0 0 345.399 2.065 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@](C)(CO)C(C)C)C2)cc1 ZINC000824685955 788273678 /nfs/dbraw/zinc/27/36/78/788273678.db2.gz JMCJKPHBAVEMSN-KXBFYZLASA-N 0 0 349.475 2.228 10 10 EECERN O=C(N[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1)c1ccccc1 ZINC001136956653 788346114 /nfs/dbraw/zinc/34/61/14/788346114.db2.gz YVOWGDGKLHTXMC-CQSZACIVSA-N 0 0 340.379 2.132 10 10 EECERN CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000785433630 788731245 /nfs/dbraw/zinc/73/12/45/788731245.db2.gz OICWRFMBHJWYRU-AWEZNQCLSA-N 0 0 346.456 2.093 10 10 EECERN O=C(NCc1cc(NC(=O)[C@@H]2CC2(F)F)ccc1O)[C@H]1CC1(F)F ZINC000923116481 788871207 /nfs/dbraw/zinc/87/12/07/788871207.db2.gz GUDOVWUTKMPJAE-ZJUUUORDSA-N 0 0 346.280 2.257 10 10 EECERN COCCN1CCN(Cc2cc(F)cc(C(C)=O)c2O)C(C)(C)C1 ZINC000844431505 789118642 /nfs/dbraw/zinc/11/86/42/789118642.db2.gz IXBJJJWCLXLBSS-UHFFFAOYSA-N 0 0 338.423 2.277 10 10 EECERN COC(C)(C)[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000923335447 789397952 /nfs/dbraw/zinc/39/79/52/789397952.db2.gz CUYRWBABAWRHAL-AWEZNQCLSA-N 0 0 349.475 2.260 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cn(C(C)C)nn2)cc1 ZINC000844856394 789402301 /nfs/dbraw/zinc/40/23/01/789402301.db2.gz JIDRXKJZXMDHLD-UHFFFAOYSA-N 0 0 331.420 2.076 10 10 EECERN COc1cccc(CNC(=O)N[C@H](C2CC2)C2CCOCC2)c1O ZINC000845428498 789772258 /nfs/dbraw/zinc/77/22/58/789772258.db2.gz LTLFLHCSMSGKLE-MRXNPFEDSA-N 0 0 334.416 2.405 10 10 EECERN COc1ccc(CNC(=O)N[C@H]2CNc3ccccc3C2)c(O)c1 ZINC000846190992 790084420 /nfs/dbraw/zinc/08/44/20/790084420.db2.gz SMAUYYRYHJTWIR-CQSZACIVSA-N 0 0 327.384 2.237 10 10 EECERN CCNC(=O)C1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000176428694 794467418 /nfs/dbraw/zinc/46/74/18/794467418.db2.gz IKSIEEXNWWXCJG-UHFFFAOYSA-N 0 0 325.412 2.302 10 10 EECERN C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715716230 795483797 /nfs/dbraw/zinc/48/37/97/795483797.db2.gz DJUYZBKODMHJSV-WRWORJQWSA-N 0 0 331.185 2.051 10 10 EECERN O=C(C[C@H]1CC(=O)Nc2ccccc21)NCc1cccc(O)c1O ZINC001176576962 798503484 /nfs/dbraw/zinc/50/34/84/798503484.db2.gz VRSOEECLELNUQG-LBPRGKRZSA-N 0 0 326.352 2.230 10 10 EECERN CO[C@@]1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCSC1 ZINC000925350647 798847520 /nfs/dbraw/zinc/84/75/20/798847520.db2.gz HVTCGXVVJLFUQA-QGZVFWFLSA-N 0 0 337.489 2.416 10 10 EECERN CSc1nnc(CNC(=O)NCc2c(O)cccc2F)s1 ZINC000922121521 799021137 /nfs/dbraw/zinc/02/11/37/799021137.db2.gz WAAPICYAPHXJFB-UHFFFAOYSA-N 0 0 328.394 2.104 10 10 EECERN C[C@H](CNC(=O)NCc1c(O)cccc1F)NC(=O)OC(C)(C)C ZINC000922268600 800166135 /nfs/dbraw/zinc/16/61/35/800166135.db2.gz NNQMFQHHVLWRHB-SNVBAGLBSA-N 0 0 341.383 2.244 10 10 EECERN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000786807646 806907680 /nfs/dbraw/zinc/90/76/80/806907680.db2.gz WFONTLMNQWAWCY-UHFFFAOYSA-N 0 0 342.355 2.266 10 10 EECERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000789862298 808249419 /nfs/dbraw/zinc/24/94/19/808249419.db2.gz HUZKQRPDSRGIKW-WOPDTQHZSA-N 0 0 340.445 2.270 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C1CN(CC(F)(F)F)C1 ZINC000791208243 809129871 /nfs/dbraw/zinc/12/98/71/809129871.db2.gz HAIZNUZDQZYZNM-UHFFFAOYSA-N 0 0 341.377 2.397 10 10 EECERN COc1ccc(CNC(=O)NCCCc2c(C)noc2C)c(O)c1 ZINC000792990571 810098154 /nfs/dbraw/zinc/09/81/54/810098154.db2.gz XFRXSJQGLJVQKB-UHFFFAOYSA-N 0 0 333.388 2.438 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3cn(C(C)C)nn3)CC2)cc1 ZINC000794241666 810727084 /nfs/dbraw/zinc/72/70/84/810727084.db2.gz LGGDXQZTMAVUOR-UHFFFAOYSA-N 0 0 343.431 2.220 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)Nc1cnc(CC2CC2)nc1 ZINC000794372515 810801535 /nfs/dbraw/zinc/80/15/35/810801535.db2.gz PZJFDFMIHVLFFM-UHFFFAOYSA-N 0 0 328.372 2.205 10 10 EECERN CC(C)[C@@H](C)CNC(=O)C(=O)NCCCSc1nccs1 ZINC000806282000 811814805 /nfs/dbraw/zinc/81/48/05/811814805.db2.gz FAMRFKOCNDIXHD-NSHDSACASA-N 0 0 329.491 2.150 10 10 EECERN CCCc1nc(C(=O)OCC(=O)C(C)=O)nn1-c1ccccc1Cl ZINC000808510667 812682263 /nfs/dbraw/zinc/68/22/63/812682263.db2.gz CHXHRXZZGZRDSO-UHFFFAOYSA-N 0 0 349.774 2.188 10 10 EECERN CC(=O)C(=O)COC(=O)c1oc(COc2ccc(C=O)cc2)cc1C ZINC000808514818 812685735 /nfs/dbraw/zinc/68/57/35/812685735.db2.gz CEWRQDSYPKEUBD-UHFFFAOYSA-N 0 0 344.319 2.294 10 10 EECERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)C(C)=O ZINC000808535567 812708021 /nfs/dbraw/zinc/70/80/21/812708021.db2.gz QOPSYRQKMZXLEO-UHFFFAOYSA-N 0 0 325.342 2.412 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC000808547707 812716543 /nfs/dbraw/zinc/71/65/43/812716543.db2.gz QCNQOXOGGXDKHO-CYBMUJFWSA-N 0 0 341.404 2.113 10 10 EECERN CNc1ncnc2cc(C(=O)NCc3cccc(OC)c3O)ccc21 ZINC001566373698 1125598160 /nfs/dbraw/zinc/59/81/60/1125598160.db2.gz ANEGQTHUEIITDI-UHFFFAOYSA-N 0 0 338.367 2.316 10 10 EECERN CC[C@@](C)(CCCNC(=O)Cc1ccc(O)c(O)c1)C1OCCO1 ZINC001444850057 1099833157 /nfs/dbraw/zinc/83/31/57/1099833157.db2.gz BBGLHIKRKOSXIA-SFHVURJKSA-N 0 0 337.416 2.326 10 10 EECERN C[C@H](NC(=O)Cc1csc(-c2nc[nH]n2)n1)c1ccccc1O ZINC001454817633 1107711401 /nfs/dbraw/zinc/71/14/01/1107711401.db2.gz KHHMITVUUWDWDT-VIFPVBQESA-N 0 0 329.385 2.054 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CCCN(c2ccccc2)C1=O ZINC001455349822 1108465998 /nfs/dbraw/zinc/46/59/98/1108465998.db2.gz AFXPPPMYVAISLR-MRXNPFEDSA-N 0 0 340.379 2.157 10 10 EECERN COc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1O ZINC001465993170 1110427850 /nfs/dbraw/zinc/42/78/50/1110427850.db2.gz ORCVBLAIPNDANY-UHFFFAOYSA-N 0 0 328.328 2.493 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccccc1O ZINC001471050792 1110516410 /nfs/dbraw/zinc/51/64/10/1110516410.db2.gz BPHVMGGYQPXQOB-KHIZAZIESA-N 0 0 343.383 2.383 10 10 EECERN O=C(NCc1cccc(Cl)c1O)[C@@H]1COc2ccc(O)cc2O1 ZINC001472317077 1110551606 /nfs/dbraw/zinc/55/16/06/1110551606.db2.gz UPMXCWBFPIEMKC-AWEZNQCLSA-N 0 0 335.743 2.207 10 10 EECERN COC[C@H](O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001472768905 1110563104 /nfs/dbraw/zinc/56/31/04/1110563104.db2.gz XAPKGVHDTJBICP-CQSZACIVSA-N 0 0 330.340 2.245 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@H](C)C1CC1 ZINC001526697962 1120572487 /nfs/dbraw/zinc/57/24/87/1120572487.db2.gz JFJFAMYYAAYBQE-GHMZBOCLSA-N 0 0 345.403 2.130 10 10 EECERN COC(=O)c1cccc(OC)c1N(C)C(=O)/C=C(/C)c1cnccn1 ZINC001538790368 1124036897 /nfs/dbraw/zinc/03/68/97/1124036897.db2.gz COBSDJBGFCHOHO-BENRWUELSA-N 0 0 341.367 2.338 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116409919 529781447 /nfs/dbraw/zinc/78/14/47/529781447.db2.gz UOAGZTGCRXYVAU-OAHLLOKOSA-N 0 0 327.432 2.185 10 10 EECERN O=C1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2F)CCN1 ZINC000095396573 218329302 /nfs/dbraw/zinc/32/93/02/218329302.db2.gz LNXFRDGICGKFEE-UHFFFAOYSA-N 0 0 344.346 2.282 10 10 EECERN Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000065901551 462838318 /nfs/dbraw/zinc/83/83/18/462838318.db2.gz NRBJKWSPKIUZFY-UHFFFAOYSA-N 0 0 325.412 2.365 10 10 EECERN CN(Cc1ccccc1O)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000136943977 463267654 /nfs/dbraw/zinc/26/76/54/463267654.db2.gz WHLDTXZZBIIBAP-OAHLLOKOSA-N 0 0 348.468 2.442 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000069846206 463338252 /nfs/dbraw/zinc/33/82/52/463338252.db2.gz UXIAFLKZFUMYHC-GJZGRUSLSA-N 0 0 347.459 2.483 10 10 EECERN CCOC(=O)c1c2ccc(F)cn2c2c1C(=O)c1cccnc1C2=O ZINC000169585844 463671542 /nfs/dbraw/zinc/67/15/42/463671542.db2.gz VCBWUABCSIDRCH-UHFFFAOYSA-N 0 0 338.294 2.426 10 10 EECERN Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)c(C)n1-c1ccc(F)cc1 ZINC000194623873 463897216 /nfs/dbraw/zinc/89/72/16/463897216.db2.gz AKQOYBJNQPWOAK-QGZVFWFLSA-N 0 0 345.418 2.294 10 10 EECERN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000271209971 464289065 /nfs/dbraw/zinc/28/90/65/464289065.db2.gz XPXLDOZEDKAQBB-MRXNPFEDSA-N 0 0 339.505 2.033 10 10 EECERN COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293721096 464419259 /nfs/dbraw/zinc/41/92/59/464419259.db2.gz VNCBRLAJSQTZPF-AWEZNQCLSA-N 0 0 346.830 2.452 10 10 EECERN C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000294638761 464561192 /nfs/dbraw/zinc/56/11/92/464561192.db2.gz KDZJXFHNNYWWAN-YPMHNXCESA-N 0 0 328.815 2.480 10 10 EECERN CO[C@@H]1COCC[C@@H]1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000294810429 464611950 /nfs/dbraw/zinc/61/19/50/464611950.db2.gz CNDQMCJFGNHAHH-RDTXWAMCSA-N 0 0 333.428 2.329 10 10 EECERN COCCCN(C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000190547818 464673927 /nfs/dbraw/zinc/67/39/27/464673927.db2.gz MWYGJEOHJDCLMP-UHFFFAOYSA-N 0 0 335.448 2.296 10 10 EECERN CNC(=O)c1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000266835609 464839006 /nfs/dbraw/zinc/83/90/06/464839006.db2.gz JPXPAKZBGWDJMV-UHFFFAOYSA-N 0 0 325.416 2.071 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC3(C)C)cc2)CC1 ZINC000276324548 464890048 /nfs/dbraw/zinc/89/00/48/464890048.db2.gz XWVIVJRWUBXSPA-KRWDZBQOSA-N 0 0 329.444 2.017 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1cc(C)on1 ZINC000298869342 465529427 /nfs/dbraw/zinc/52/94/27/465529427.db2.gz YKWADOMOXOHHRY-UHFFFAOYSA-N 0 0 345.399 2.086 10 10 EECERN O=C1COC[C@H](C[C@H]2CN(Cc3ccccc3O)c3ccccc32)N1 ZINC000368142908 466583023 /nfs/dbraw/zinc/58/30/23/466583023.db2.gz NOSLYTINTKGWSD-HOTGVXAUSA-N 0 0 338.407 2.401 10 10 EECERN C[C@H]1CCOCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000375004907 466765080 /nfs/dbraw/zinc/76/50/80/466765080.db2.gz OUFDHSWHXCORAH-RRGWEWPQSA-N 0 0 330.428 2.174 10 10 EECERN COc1ccc(O)c(CNC(=O)c2cc(C)n(C3CCOCC3)n2)c1 ZINC000528859786 467769152 /nfs/dbraw/zinc/76/91/52/467769152.db2.gz FXZNAIZUFBPWGC-UHFFFAOYSA-N 0 0 345.399 2.187 10 10 EECERN COc1ccnc(OC)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000631560513 470172263 /nfs/dbraw/zinc/17/22/63/470172263.db2.gz YLBXKRVASKOULG-UHFFFAOYSA-N 0 0 343.383 2.204 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000729535202 576663369 /nfs/dbraw/zinc/66/33/69/576663369.db2.gz MTPXSYUBIXCJTN-QWHCGFSZSA-N 0 0 342.395 2.397 10 10 EECERN C[C@@H](NC(=O)C1(N2CCOCC2)CCC1)c1ccc(N(C)C)cc1 ZINC000773015000 577310384 /nfs/dbraw/zinc/31/03/84/577310384.db2.gz MQJVIEWRPMMEHL-OAHLLOKOSA-N 0 0 331.460 2.185 10 10 EECERN COC(=O)c1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1F ZINC000773740842 577362205 /nfs/dbraw/zinc/36/22/05/577362205.db2.gz UDASTJXNMVMZPB-SNVBAGLBSA-N 0 0 347.342 2.385 10 10 EECERN Cc1cc(=O)[nH]c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775258528 577433869 /nfs/dbraw/zinc/43/38/69/577433869.db2.gz DCGUQQQKZXKXIT-CQSZACIVSA-N 0 0 328.416 2.178 10 10 EECERN C[C@@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1ccc(N(C)C)cc1 ZINC000775673100 577442438 /nfs/dbraw/zinc/44/24/38/577442438.db2.gz GFBCUDIGTHKPHL-LLVKDONJSA-N 0 0 327.388 2.129 10 10 EECERN Oc1cc2c(cc1CN1CCO[C@H](c3ccsc3)C1)[C@H](O)CO2 ZINC000768462747 577556318 /nfs/dbraw/zinc/55/63/18/577556318.db2.gz CWIMHYKAWQCNMJ-WBVHZDCISA-N 0 0 333.409 2.453 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)/C=C\c2cnn(C)c2)c2ccccc21 ZINC000759957605 577654771 /nfs/dbraw/zinc/65/47/71/577654771.db2.gz QONSIQQTPLCPTI-ZPIQOJFGSA-N 0 0 325.368 2.127 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC000763620472 577723492 /nfs/dbraw/zinc/72/34/92/577723492.db2.gz RYVWTRGMEKWJQF-CRAIPNDOSA-N 0 0 347.459 2.342 10 10 EECERN C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756589691 577847274 /nfs/dbraw/zinc/84/72/74/577847274.db2.gz ARVDYPDOPVSGQY-LBPRGKRZSA-N 0 0 328.368 2.481 10 10 EECERN Cc1cc(CCNC(=O)N[C@@H](C)CC(N)=O)c(C)n1-c1ccccc1 ZINC000745390196 577913377 /nfs/dbraw/zinc/91/33/77/577913377.db2.gz ATLQLOOUHIUNMP-ZDUSSCGKSA-N 0 0 342.443 2.200 10 10 EECERN CCN(C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000747682169 577948246 /nfs/dbraw/zinc/94/82/46/577948246.db2.gz RXEYWOPDLOHBFD-CVEARBPZSA-N 0 0 339.432 2.087 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCCS(=O)(=O)C[C@H]2C)c1O ZINC000933317660 676587873 /nfs/dbraw/zinc/58/78/73/676587873.db2.gz NFTFXYPDMQAPDM-SNVBAGLBSA-N 0 0 345.848 2.257 10 10 EECERN COc1ccc(N2CCN(CC(=O)NC3CCCCC3)CC2)cc1F ZINC000084866758 676788185 /nfs/dbraw/zinc/78/81/85/676788185.db2.gz RGABMOKMHDVLIF-UHFFFAOYSA-N 0 0 349.450 2.405 10 10 EECERN COCCN1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C ZINC000177130701 680055217 /nfs/dbraw/zinc/05/52/17/680055217.db2.gz DFHJQHNGDIMAQD-GFCCVEGCSA-N 0 0 340.851 2.401 10 10 EECERN COC(=O)c1c(CN2CC[C@@](F)(CO)C2)c2cc(F)ccc2n1C ZINC000894686297 683030772 /nfs/dbraw/zinc/03/07/72/683030772.db2.gz IGLTZGMEAUWRGT-KRWDZBQOSA-N 0 0 338.354 2.010 10 10 EECERN CC[C@@H]([C@@H]1CCCOC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925095291 683347295 /nfs/dbraw/zinc/34/72/95/683347295.db2.gz JHAHTDJHSLPWJG-CABCVRRESA-N 0 0 332.400 2.362 10 10 EECERN CC(C)c1noc(CCCNC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000180995131 684084154 /nfs/dbraw/zinc/08/41/54/684084154.db2.gz HFGKVWVJNDOXGG-SOFGYWHQSA-N 0 0 331.372 2.366 10 10 EECERN CN(Cc1ccc(OCc2ccccc2)cc1O)C1CS(=O)(=O)C1 ZINC000895397740 684582254 /nfs/dbraw/zinc/58/22/54/684582254.db2.gz KPKUUUMSWVHTEU-UHFFFAOYSA-N 0 0 347.436 2.200 10 10 EECERN CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899834925 693884745 /nfs/dbraw/zinc/88/47/45/693884745.db2.gz VCDLKKZURDXADD-MNOVXSKESA-N 0 0 346.408 2.148 10 10 EECERN COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Cl)cc(OC)c1O ZINC000895861664 684744993 /nfs/dbraw/zinc/74/49/93/684744993.db2.gz GKBKAYARIONXIX-QWHCGFSZSA-N 0 0 343.807 2.255 10 10 EECERN CO[C@]1(C(=O)NCc2cc(Br)ccc2O)CCSC1 ZINC000897747712 691778054 /nfs/dbraw/zinc/77/80/54/691778054.db2.gz LORHRQDJGYRLON-CYBMUJFWSA-N 0 0 346.246 2.293 10 10 EECERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCC(=O)N(C)C1 ZINC000897835839 691798015 /nfs/dbraw/zinc/79/80/15/691798015.db2.gz JOAOQDAWYNREOJ-JTQLQIEISA-N 0 0 334.397 2.005 10 10 EECERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCCN(C)C1=O ZINC000899163720 693637981 /nfs/dbraw/zinc/63/79/81/693637981.db2.gz JBINJAOLQNXKIN-NSHDSACASA-N 0 0 348.424 2.395 10 10 EECERN O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000899234699 693673800 /nfs/dbraw/zinc/67/38/00/693673800.db2.gz OPCLJGLIFYDTAB-LLVKDONJSA-N 0 0 346.408 2.053 10 10 EECERN Fc1cc(CNc2ncc3c(n2)CCOC3)ccc1N1CCOCC1 ZINC000865295143 1198156146 /nfs/dbraw/zinc/15/61/46/1198156146.db2.gz ZQYFNIDHRQDPPS-UHFFFAOYSA-N 0 0 344.390 2.137 10 10 EECERN CO[C@@H]1CN2C(=O)N(Cc3ccc(N4CCCC4)cc3)C(=O)[C@@]2(C)C1 ZINC000865298169 1198157621 /nfs/dbraw/zinc/15/76/21/1198157621.db2.gz CIIFTEQIVNGDHN-QFBILLFUSA-N 0 0 343.427 2.228 10 10 EECERN CO[C@H]1CN2C(=O)N(Cc3ccc(N4CC=CC4)cc3)C(=O)[C@]2(C)C1 ZINC000865304389 1198161145 /nfs/dbraw/zinc/16/11/45/1198161145.db2.gz UWCGHRPWGZAYLT-APWZRJJASA-N 0 0 341.411 2.004 10 10 EECERN COc1ccc(N2CC[C@@H](N3C(=O)N4C5CCC4(CC5)C3=O)C2)cc1 ZINC000865313521 1198165009 /nfs/dbraw/zinc/16/50/09/1198165009.db2.gz ZCUUBOMXLPYLMT-XAUUPUKJSA-N 0 0 341.411 2.233 10 10 EECERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000865748957 1198358729 /nfs/dbraw/zinc/35/87/29/1198358729.db2.gz KGHNHRJRUKAQEB-UHFFFAOYSA-N 0 0 325.199 2.467 10 10 EECERN CCOC(=O)c1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)on1 ZINC000825736836 1198887842 /nfs/dbraw/zinc/88/78/42/1198887842.db2.gz LCHOWGZJDHPNKT-VIFPVBQESA-N 0 0 334.328 2.057 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000875714702 1199358415 /nfs/dbraw/zinc/35/84/15/1199358415.db2.gz CXDAULQRYOQRDA-JCGIZDLHSA-N 0 0 345.443 2.237 10 10 EECERN CC(C)(C)N1CC[C@](F)(C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000811448285 1200063488 /nfs/dbraw/zinc/06/34/88/1200063488.db2.gz SWZLQYJIPBYQOH-QGZVFWFLSA-N 0 0 339.363 2.036 10 10 EECERN C[C@H]1C(=O)Nc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2N1C ZINC000871203474 1201097956 /nfs/dbraw/zinc/09/79/56/1201097956.db2.gz MHEBVJQLNWWWAL-NSHDSACASA-N 0 0 337.379 2.325 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)[C@@H](OC)C(=O)OC(C)(C)C ZINC000866598522 1201558064 /nfs/dbraw/zinc/55/80/64/1201558064.db2.gz GUZBOGLSGBCJJB-OAHLLOKOSA-N 0 0 337.416 2.488 10 10 EECERN C[C@@H]1C[C@]1(C(=O)NCCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC000866757590 1201598765 /nfs/dbraw/zinc/59/87/65/1201598765.db2.gz ZKVZRKWFKQVPIL-ZMZPIMSZSA-N 0 0 335.400 2.124 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)[C@]12CCCO2 ZINC000868500601 1201823096 /nfs/dbraw/zinc/82/30/96/1201823096.db2.gz UOZDUZMXVFNVKY-LMWIJYBJSA-N 0 0 334.416 2.479 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000928711748 1206414099 /nfs/dbraw/zinc/41/40/99/1206414099.db2.gz PLWAOBDEMGFIPK-IAGOWNOFSA-N 0 0 331.343 2.304 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC[C@H](OC(F)F)C2)cc1F ZINC000802060633 1236789980 /nfs/dbraw/zinc/78/99/80/1236789980.db2.gz MLTZYTZGPGIWMI-NSHDSACASA-N 0 0 331.338 2.415 10 10 EECERN CCN1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1=O ZINC000802532712 1237604624 /nfs/dbraw/zinc/60/46/24/1237604624.db2.gz PWCQZBZSPZFYPV-QGZVFWFLSA-N 0 0 346.475 2.293 10 10 EECERN C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000903281396 1240169313 /nfs/dbraw/zinc/16/93/13/1240169313.db2.gz PHXNDPVHPSTRLP-MEBBXXQBSA-N 0 0 349.258 2.043 10 10 EECERN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCC[C@H]2CCOC2)c1 ZINC000827195330 1250675839 /nfs/dbraw/zinc/67/58/39/1250675839.db2.gz ZBISVHPZAVDQMJ-STQMWFEESA-N 0 0 343.445 2.198 10 10 EECERN CCc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)on1 ZINC000852139179 1292008840 /nfs/dbraw/zinc/00/88/40/1292008840.db2.gz LZCALXQINAESBG-CQSZACIVSA-N 0 0 344.415 2.324 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCn3cccc3)C2)cc1 ZINC000852192506 1292035583 /nfs/dbraw/zinc/03/55/83/1292035583.db2.gz RUEWSIKPJDHLOP-OAHLLOKOSA-N 0 0 328.416 2.075 10 10 EECERN COCCN(CCF)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000853818748 1292469613 /nfs/dbraw/zinc/46/96/13/1292469613.db2.gz HIQBPYVOGYQUPQ-XQRVVYSFSA-N 0 0 326.324 2.203 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(C)=O)cn3C)C2)cc1 ZINC000853818874 1292470079 /nfs/dbraw/zinc/47/00/79/1292470079.db2.gz ZXWVYHRAJOQLKJ-OAHLLOKOSA-N 0 0 341.411 2.245 10 10 EECERN CC[C@@H](O)CCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300522 1292711249 /nfs/dbraw/zinc/71/12/49/1292711249.db2.gz VCXNUVIVADKKPN-GDBMZVCRSA-N 0 0 335.448 2.124 10 10 EECERN Cc1cc(CC(=O)N(C)C(C)(C)C(N)=O)c(C)n1-c1ccccc1 ZINC000854686904 1292920274 /nfs/dbraw/zinc/92/02/74/1292920274.db2.gz XDEOIPRJYBMEEA-UHFFFAOYSA-N 0 0 327.428 2.359 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4cccnn43)C2)cc1 ZINC000855227915 1293119831 /nfs/dbraw/zinc/11/98/31/1293119831.db2.gz ROOHQVIJVMLXNA-AWEZNQCLSA-N 0 0 336.395 2.352 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)C2)cc1 ZINC000855227114 1293119949 /nfs/dbraw/zinc/11/99/49/1293119949.db2.gz VSVCWNBCFOCPHF-NSNWQYSKSA-N 0 0 328.412 2.005 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CC3(O)CCCCC3)C2)cc1 ZINC000855231669 1293121837 /nfs/dbraw/zinc/12/18/37/1293121837.db2.gz NFZVLJOLPJVQSZ-HNNXBMFYSA-N 0 0 332.444 2.475 10 10 EECERN CCN(CC)C(=O)CCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231499 1293122016 /nfs/dbraw/zinc/12/20/16/1293122016.db2.gz ATBXLQDVHMYRGA-HNNXBMFYSA-N 0 0 347.459 2.039 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)C2)cc1 ZINC000855234074 1293123376 /nfs/dbraw/zinc/12/33/76/1293123376.db2.gz RSWUWUKJANEGEA-KKUMJFAQSA-N 0 0 330.428 2.395 10 10 EECERN COC(=O)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000855447758 1293215605 /nfs/dbraw/zinc/21/56/05/1293215605.db2.gz WMMYJKCCUKLXQA-CSKARUKUSA-N 0 0 333.384 2.445 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1ocnc1C(F)F ZINC000858725126 1294202831 /nfs/dbraw/zinc/20/28/31/1294202831.db2.gz ZAIIHQWHDJZEDM-UHFFFAOYSA-N 0 0 337.326 2.379 10 10 EECERN CCO[C@H](CS(=O)(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000858925689 1294264817 /nfs/dbraw/zinc/26/48/17/1294264817.db2.gz NEACNKILAUDELG-MRXNPFEDSA-N 0 0 344.452 2.126 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1COc2cc(F)ccc2C1 ZINC000860234870 1294884448 /nfs/dbraw/zinc/88/44/48/1294884448.db2.gz LTQLSBNZKVBWPV-CYBMUJFWSA-N 0 0 331.343 2.147 10 10 EECERN CCOc1ccc(CN[C@H](C[C@@H]2CCCOC2)C(=O)OC)c(O)c1 ZINC000862516136 1295864285 /nfs/dbraw/zinc/86/42/85/1295864285.db2.gz LJFSGLRNCUZZQV-XJKSGUPXSA-N 0 0 337.416 2.239 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[O-] ZINC000862526872 1295867014 /nfs/dbraw/zinc/86/70/14/1295867014.db2.gz FZVIFMNHJZLCDH-HIMNYSJASA-N 0 0 344.820 2.439 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC2(CCOCC2)O1 ZINC000927188892 1297059626 /nfs/dbraw/zinc/05/96/26/1297059626.db2.gz HKDYLYCLBVFDHV-LBPRGKRZSA-N 0 0 338.379 2.059 10 10 EECERN O=C(NCCCSc1nccs1)N[C@@H]1CCC[C@H](CO)C1 ZINC000840324900 1315351135 /nfs/dbraw/zinc/35/11/35/1315351135.db2.gz ILAHHRQKLSKVIS-NWDGAFQWSA-N 0 0 329.491 2.476 10 10 EECERN COC(=O)NCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124550089 1310915478 /nfs/dbraw/zinc/91/54/78/1310915478.db2.gz YFLXOELEFZZJTN-UHFFFAOYSA-N 0 0 333.432 2.381 10 10 EECERN CCn1cc(C(=O)C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001124549782 1310915774 /nfs/dbraw/zinc/91/57/74/1310915774.db2.gz QSWIDEQJACKFTC-UHFFFAOYSA-N 0 0 340.427 2.345 10 10 EECERN Cc1nc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840310955 1315349478 /nfs/dbraw/zinc/34/94/78/1315349478.db2.gz VVAYZMQWQLGDKK-GFCCVEGCSA-N 0 0 331.420 2.183 10 10 EECERN COCC(COC)N1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840955497 1315445123 /nfs/dbraw/zinc/44/51/23/1315445123.db2.gz VFZSOGZZWSOYID-UHFFFAOYSA-N 0 0 342.867 2.133 10 10 EECERN C[C@@H](O)[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000840979800 1315450198 /nfs/dbraw/zinc/45/01/98/1315450198.db2.gz UUJWENZSWNUFQI-ABAIWWIYSA-N 0 0 332.366 2.353 10 10 EECERN CC(C)c1noc(CCCNC(=O)NCCc2ccc(N)cc2)n1 ZINC000841769959 1315610972 /nfs/dbraw/zinc/61/09/72/1315610972.db2.gz LAUJCTURWLJYCE-UHFFFAOYSA-N 0 0 331.420 2.250 10 10 EECERN CCN(CC)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2cnn(C)c2)cc1F ZINC000841806312 1315615978 /nfs/dbraw/zinc/61/59/78/1315615978.db2.gz FJTINAZWJPRLQI-MRXNPFEDSA-N 0 0 334.395 2.321 10 10 EECERN COC(=O)[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000843430208 1315913822 /nfs/dbraw/zinc/91/38/22/1315913822.db2.gz PGFIQPHHNQXKCA-SFHVURJKSA-N 0 0 342.443 2.414 10 10 EECERN Cc1nnc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC001251437307 1317459647 /nfs/dbraw/zinc/45/96/47/1317459647.db2.gz LKJCXVMLSUZBCS-UHFFFAOYSA-N 0 0 328.420 2.055 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(NC)cn1 ZINC001299699060 1319952289 /nfs/dbraw/zinc/95/22/89/1319952289.db2.gz MRTFKJYXQIJWEN-UHFFFAOYSA-N 0 0 343.383 2.034 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CCO)c1ccccc1F ZINC001163033776 1321020194 /nfs/dbraw/zinc/02/01/94/1321020194.db2.gz SHBQRLKMJGWYNI-VFADXPBXSA-N 0 0 331.343 2.490 10 10 EECERN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cccc(O)c1O ZINC001294303665 1328966878 /nfs/dbraw/zinc/96/68/78/1328966878.db2.gz JOPPYZYHNBHFQM-UHFFFAOYSA-N 0 0 344.367 2.451 10 10 EECERN CCc1n[nH]c(C(=O)NCc2ccc3cccnc3c2O)c1[N+](=O)[O-] ZINC001299722093 1321989311 /nfs/dbraw/zinc/98/93/11/1321989311.db2.gz YRRCODOQZWKJRL-UHFFFAOYSA-N 0 0 341.327 2.064 10 10 EECERN C[C@]1(C(=O)[O-])C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC001262164851 1322250201 /nfs/dbraw/zinc/25/02/01/1322250201.db2.gz WZTXCFMWNBCUOO-LKFCYVNXSA-N 0 0 344.205 2.267 10 10 EECERN CC[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284201731 1326458131 /nfs/dbraw/zinc/45/81/31/1326458131.db2.gz PFWSFTKIMLIHAM-WDEREUQCSA-N 0 0 333.392 2.130 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC001292023970 1328354795 /nfs/dbraw/zinc/35/47/95/1328354795.db2.gz BZRWSUCXCCQECR-CQSZACIVSA-N 0 0 344.386 2.422 10 10 EECERN CC[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001295088166 1329778871 /nfs/dbraw/zinc/77/88/71/1329778871.db2.gz CJUALRIOKHEATO-LERXQTSPSA-N 0 0 345.403 2.272 10 10 EECERN O=C(C1=NN(c2ccccc2)C(=O)CC1)N1Cc2cccc(O)c2C1 ZINC001302787572 1331335587 /nfs/dbraw/zinc/33/55/87/1331335587.db2.gz PGARFWLNFNEQRB-UHFFFAOYSA-N 0 0 335.363 2.417 10 10 EECERN CN(CC(=O)NCc1cc(O)ccc1O)c1nc2ccccc2s1 ZINC001303223495 1331350724 /nfs/dbraw/zinc/35/07/24/1331350724.db2.gz RTAXYXGMICBBJM-UHFFFAOYSA-N 0 0 343.408 2.460 10 10 EECERN COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1Cn1cccn1 ZINC000901959198 1331528887 /nfs/dbraw/zinc/52/88/87/1331528887.db2.gz WSPGVLJGYVKOPP-FRQCXROJSA-N 0 0 341.411 2.283 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001325994323 1334012549 /nfs/dbraw/zinc/01/25/49/1334012549.db2.gz XWFIMQHMVNLVLI-MUJYYYPQSA-N 0 0 329.444 2.016 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)CC(F)F ZINC001326411739 1334087939 /nfs/dbraw/zinc/08/79/39/1334087939.db2.gz DBMSNRHYFHGFCV-LLVKDONJSA-N 0 0 341.402 2.085 10 10 EECERN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(CF)CCC3)cc2)C1 ZINC001327133639 1334231165 /nfs/dbraw/zinc/23/11/65/1334231165.db2.gz IHZKDEMSUUZZDL-HNNXBMFYSA-N 0 0 347.434 2.144 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCc2cnn(CC)n2)cc1 ZINC001331506070 1335024846 /nfs/dbraw/zinc/02/48/46/1335024846.db2.gz WYGUUFKXGQNQTC-UHFFFAOYSA-N 0 0 330.436 2.144 10 10 EECERN C[C@@H](c1cccc(O)c1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332019432 1335706864 /nfs/dbraw/zinc/70/68/64/1335706864.db2.gz REIGIAXGFPHRKE-LBPRGKRZSA-N 0 0 340.379 2.160 10 10 EECERN COC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(N2CCCC2)cc1 ZINC001334327190 1336239626 /nfs/dbraw/zinc/23/96/26/1336239626.db2.gz PFDUHGUMNVVUSP-MSOLQXFVSA-N 0 0 332.444 2.487 10 10 EECERN COc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)nn1C ZINC001353909811 1338368894 /nfs/dbraw/zinc/36/88/94/1338368894.db2.gz CCFQTDNOAHFJHP-UHFFFAOYSA-N 0 0 328.416 2.301 10 10 EECERN COc1cc(C(=O)NCc2c(O)cccc2O)cc2c1O[C@@H](C)C2 ZINC001558533775 1342480301 /nfs/dbraw/zinc/48/03/01/1342480301.db2.gz JQLFXFROGYUNOO-JTQLQIEISA-N 0 0 329.352 2.360 10 10 EECERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2c(O)cccc2O)c1 ZINC001558533810 1342480480 /nfs/dbraw/zinc/48/04/80/1342480480.db2.gz KPVONXBKGSRLPS-UHFFFAOYSA-N 0 0 346.339 2.400 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2cccc(O)c2)on1 ZINC001566369930 1342571102 /nfs/dbraw/zinc/57/11/02/1342571102.db2.gz DBNAXIDVSCHHGJ-UHFFFAOYSA-N 0 0 340.335 2.431 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c2nc[nH]c2ccc1F ZINC001567467931 1342765048 /nfs/dbraw/zinc/76/50/48/1342765048.db2.gz VXMROFMJRITJGO-SECBINFHSA-N 0 0 329.331 2.474 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)Cc2ccnc(F)c2)cc1 ZINC001583621329 1344919961 /nfs/dbraw/zinc/91/99/61/1344919961.db2.gz GAHMEQLZCJZEHJ-UHFFFAOYSA-N 0 0 331.391 2.367 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c([nH]c2=O)CCOC3)c1 ZINC001595806579 1349895801 /nfs/dbraw/zinc/89/58/01/1349895801.db2.gz PNCQDCBIGMAADZ-SNVBAGLBSA-N 0 0 344.367 2.065 10 10 EECERN O=C(COc1ccsn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001623641806 1352401794 /nfs/dbraw/zinc/40/17/94/1352401794.db2.gz XVAPXORHQMYRBK-AWEZNQCLSA-N 0 0 348.424 2.435 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001624953948 1352435797 /nfs/dbraw/zinc/43/57/97/1352435797.db2.gz CVKXJZUQDMIWDT-SECBINFHSA-N 0 0 327.340 2.041 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC(=O)OCc1ccccc1Cl ZINC001627668656 1352505343 /nfs/dbraw/zinc/50/53/43/1352505343.db2.gz NIRHHPPUOFNURI-UHFFFAOYSA-N 0 0 349.770 2.153 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001641190808 1352719406 /nfs/dbraw/zinc/71/94/06/1352719406.db2.gz HNMVSVQUMGVPIM-CABCVRRESA-N 0 0 331.412 2.448 10 10 EECERN O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1c(F)ccc(O)c1O ZINC001641572082 1352722605 /nfs/dbraw/zinc/72/26/05/1352722605.db2.gz OSQGWRCUBRFLGV-SMDDNHRTSA-N 0 0 332.331 2.282 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc2c(c1)NC(=O)CS2 ZINC001647177533 1353176580 /nfs/dbraw/zinc/17/65/80/1353176580.db2.gz CRQQZGWYTZAJHY-UHFFFAOYSA-N 0 0 330.365 2.072 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cc(F)cc(N2CCOCC2)c1 ZINC001651225810 1354045411 /nfs/dbraw/zinc/04/54/11/1354045411.db2.gz ZEHSWRYDBJOHQO-UHFFFAOYSA-N 0 0 346.358 2.004 10 10 EECERN Cc1cc(C(=O)NC[C@@H](O)CO)c(C)n1-c1cccc(C(C)C)c1 ZINC001653200767 1354115401 /nfs/dbraw/zinc/11/54/01/1354115401.db2.gz UHESSLPBENYEQX-QGZVFWFLSA-N 0 0 330.428 2.301 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC3(C2)OCCO3)c1 ZINC001680834401 1357921618 /nfs/dbraw/zinc/92/16/18/1357921618.db2.gz MXRBCNBKSVQKCU-RYUDHWBXSA-N 0 0 336.388 2.057 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c(OC)c1 ZINC000246597118 780831513 /nfs/dbraw/zinc/83/15/13/780831513.db2.gz GYQKMJVMICNVFN-IAGOWNOFSA-N 0 0 348.443 2.310 10 10 EECERN CCc1nc[nH]c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000906419452 783908708 /nfs/dbraw/zinc/90/87/08/783908708.db2.gz KFUSUEIPQXWNHC-CYBMUJFWSA-N 0 0 328.416 2.300 10 10 EECERN COc1cccc(CNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)c1O ZINC000907059634 784357925 /nfs/dbraw/zinc/35/79/25/784357925.db2.gz GOEYDKILPNWNAP-GFCCVEGCSA-N 0 0 340.379 2.062 10 10 EECERN COC(=O)CCCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817927623 785078396 /nfs/dbraw/zinc/07/83/96/785078396.db2.gz JLTWGIDNZUNSAY-UHFFFAOYSA-N 0 0 347.440 2.389 10 10 EECERN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000818362008 785256565 /nfs/dbraw/zinc/25/65/65/785256565.db2.gz NTDYCKZJBCMUBZ-GZMMTYOYSA-N 0 0 330.306 2.209 10 10 EECERN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000708193793 786764135 /nfs/dbraw/zinc/76/41/35/786764135.db2.gz WUKYNCIPSBPCLV-QWRGUYRKSA-N 0 0 336.613 2.048 10 10 EECERN CC[C@H](O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000822612984 787287403 /nfs/dbraw/zinc/28/74/03/787287403.db2.gz HRGYQOKZGRUBSW-GUTXKFCHSA-N 0 0 338.423 2.217 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(F)ncc1C ZINC000911309361 787369357 /nfs/dbraw/zinc/36/93/57/787369357.db2.gz LVARMQACTWPKPV-UHFFFAOYSA-N 0 0 346.358 2.440 10 10 EECERN CN(c1ccc(CNC(=O)Cc2cnnn2C)cc1)C1CCCCC1 ZINC000824252085 788108584 /nfs/dbraw/zinc/10/85/84/788108584.db2.gz ZRSFRGRYGGPYJA-UHFFFAOYSA-N 0 0 341.459 2.443 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@]4(CC4(F)F)C3)cc2N1 ZINC000845770537 789938123 /nfs/dbraw/zinc/93/81/23/789938123.db2.gz OCWHUODYQVYWIG-ZDUSSCGKSA-N 0 0 325.271 2.161 10 10 EECERN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c(C(F)(F)F)c1 ZINC000846103763 790063798 /nfs/dbraw/zinc/06/37/98/790063798.db2.gz XESOWIQMBSGMCV-UTWWPYJBSA-N 0 0 332.391 2.477 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000172555784 791722454 /nfs/dbraw/zinc/72/24/54/791722454.db2.gz OMJYMLQPIAXUJY-HZPDHXFCSA-N 0 0 346.475 2.376 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2ccc(Br)[nH]c2=O)c1 ZINC001147961313 792087916 /nfs/dbraw/zinc/08/79/16/792087916.db2.gz CMGJSORSIWPODB-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN CCC(=O)c1ccc(OCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000917355980 798186766 /nfs/dbraw/zinc/18/67/66/798186766.db2.gz PTMHUIMXTSYPOA-UHFFFAOYSA-N 0 0 343.379 2.428 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(C(F)(F)F)cn1 ZINC001178818922 799658195 /nfs/dbraw/zinc/65/81/95/799658195.db2.gz FGHLZTITAACKLS-UHFFFAOYSA-N 0 0 340.301 2.413 10 10 EECERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccnn1C ZINC000817553703 800919978 /nfs/dbraw/zinc/91/99/78/800919978.db2.gz JFPAIXLWZIWIOL-HOCLYGCPSA-N 0 0 343.427 2.437 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@@H]2CNC(=O)C2)c1 ZINC000922783374 801874139 /nfs/dbraw/zinc/87/41/39/801874139.db2.gz POPPEEJPIUQBIC-JTQLQIEISA-N 0 0 327.222 2.079 10 10 EECERN COCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCOC1 ZINC000787264018 807071966 /nfs/dbraw/zinc/07/19/66/807071966.db2.gz QDPVINWMBZHSDE-SFHVURJKSA-N 0 0 345.443 2.010 10 10 EECERN Cc1cc(Br)c(O)c(CN2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000787416293 807107479 /nfs/dbraw/zinc/10/74/79/807107479.db2.gz AQUFLWTVGVDQQY-ZYHUDNBSSA-N 0 0 330.222 2.045 10 10 EECERN COc1cccc(CNC(=O)Nc2ccc(OC(C)C)nn2)c1O ZINC000789817808 808225164 /nfs/dbraw/zinc/22/51/64/808225164.db2.gz MGMVFOSOXGCFEL-UHFFFAOYSA-N 0 0 332.360 2.300 10 10 EECERN COc1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)c(O)c1 ZINC000792764126 809986931 /nfs/dbraw/zinc/98/69/31/809986931.db2.gz SQUUDWURLJPBOQ-AWEZNQCLSA-N 0 0 344.367 2.040 10 10 EECERN CC1CCN(c2ccc(CNC(=O)C(=O)N(C)CC3CC3)cc2)CC1 ZINC000805022819 811109741 /nfs/dbraw/zinc/10/97/41/811109741.db2.gz FGLJLVNOSZEIMW-UHFFFAOYSA-N 0 0 343.471 2.408 10 10 EECERN C[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000805153935 811161748 /nfs/dbraw/zinc/16/17/48/811161748.db2.gz DKJPFNKWVHEYOM-VHSXEESVSA-N 0 0 343.221 2.379 10 10 EECERN COC(=O)CN(CCC(F)(F)F)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001445503326 1091281192 /nfs/dbraw/zinc/28/11/92/1091281192.db2.gz ZODGBTUQPVLWNZ-HYXAFXHYSA-N 0 0 347.289 2.065 10 10 EECERN Cc1cc(F)cc(-n2cc(C(=O)NCc3cc(O)ccc3O)nn2)c1 ZINC001455357201 1108474783 /nfs/dbraw/zinc/47/47/83/1108474783.db2.gz PRQUSHFTTCQYKS-UHFFFAOYSA-N 0 0 342.330 2.056 10 10 EECERN COc1ncc(/C=C/C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)cn1 ZINC001460265194 1110261082 /nfs/dbraw/zinc/26/10/82/1110261082.db2.gz RFWHHWWZBZYTCC-GORDUTHDSA-N 0 0 344.302 2.135 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(C)(C)N1CCOCC1 ZINC001463815333 1110381068 /nfs/dbraw/zinc/38/10/68/1110381068.db2.gz YKGXOEZIMJIYSG-UHFFFAOYSA-N 0 0 345.487 2.356 10 10 EECERN CO[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001464608590 1110398400 /nfs/dbraw/zinc/39/84/00/1110398400.db2.gz WEBDVRFDHKLCBH-KZNAEPCWSA-N 0 0 332.444 2.295 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1cccc2c1OCCCO2 ZINC001465897002 1110425652 /nfs/dbraw/zinc/42/56/52/1110425652.db2.gz UOMWANLHMUWECV-UHFFFAOYSA-N 0 0 329.352 2.118 10 10 EECERN Cc1cc(OCC(=O)NCc2ccc(O)cc2O)ccc1[N+](=O)[O-] ZINC001469158547 1110486165 /nfs/dbraw/zinc/48/61/65/1110486165.db2.gz AWRUQUWDJCVTHN-UHFFFAOYSA-N 0 0 332.312 2.010 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001471974388 1110536987 /nfs/dbraw/zinc/53/69/87/1110536987.db2.gz BIUNQNRZLVHKHI-NSHDSACASA-N 0 0 332.306 2.413 10 10 EECERN O=C(CCCNC(=O)c1ccccc1)NCc1c(O)cccc1F ZINC001471975212 1110537084 /nfs/dbraw/zinc/53/70/84/1110537084.db2.gz UFLMKCIWIBLCDX-UHFFFAOYSA-N 0 0 330.359 2.358 10 10 EECERN Cc1nnc(Nc2cnn(C)c2)n1Cc1ccc2c(c1)CCCN2C ZINC001511912279 1118315664 /nfs/dbraw/zinc/31/56/64/1118315664.db2.gz KZKYLQYKHMNYBX-UHFFFAOYSA-N 0 0 337.431 2.494 10 10 EECERN COc1cccc(CNC(=O)NC[C@@H]2OCc3ccccc32)c1O ZINC001528267021 1120977612 /nfs/dbraw/zinc/97/76/12/1120977612.db2.gz IWJQVLRJUFNQOO-INIZCTEOSA-N 0 0 328.368 2.472 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cccc3c2NC(=O)CO3)cc1 ZINC001531320858 1122365262 /nfs/dbraw/zinc/36/52/62/1122365262.db2.gz LLHBNNXMCKCYPL-UHFFFAOYSA-N 0 0 325.368 2.014 10 10 EECERN COC(=O)Cc1ccccc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001568936829 1124968836 /nfs/dbraw/zinc/96/88/36/1124968836.db2.gz PERWRACDNDYFIQ-CLFYSBASSA-N 0 0 341.363 2.143 10 10 EECERN COc1cc(O)c(CN2CCO[C@@H](c3nccs3)C2)cc1OC ZINC000160243864 237233660 /nfs/dbraw/zinc/23/36/60/237233660.db2.gz XWMWZCISUDYPIV-OAHLLOKOSA-N 0 0 336.413 2.439 10 10 EECERN C[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000191913765 237276634 /nfs/dbraw/zinc/27/66/34/237276634.db2.gz OZFIZMRWPCKXED-BEFAXECRSA-N 0 0 346.471 2.327 10 10 EECERN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000361450377 238223449 /nfs/dbraw/zinc/22/34/49/238223449.db2.gz BFUJWUIANGTDAZ-FXAINCCUSA-N 0 0 339.779 2.053 10 10 EECERN C[C@@H](O)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155681702 462928234 /nfs/dbraw/zinc/92/82/34/462928234.db2.gz XLBBKTZECSAGAM-OAHLLOKOSA-N 0 0 329.444 2.365 10 10 EECERN CCN(C)c1ccc(CNc2nn3c(nccc3=O)s2)cc1F ZINC000071911584 463469763 /nfs/dbraw/zinc/46/97/63/463469763.db2.gz LCSQFEOZGMKBBA-UHFFFAOYSA-N 0 0 333.392 2.358 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(Nc2cccnn2)CC1 ZINC000180784460 464394084 /nfs/dbraw/zinc/39/40/84/464394084.db2.gz JXTDCQQWTPBKNM-GQCTYLIASA-N 0 0 340.383 2.004 10 10 EECERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181180577 464454307 /nfs/dbraw/zinc/45/43/07/464454307.db2.gz ZSNMFKABIXNFMJ-CFNZNRNTSA-N 0 0 342.399 2.477 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000273433901 464715684 /nfs/dbraw/zinc/71/56/84/464715684.db2.gz WKIZAHURFGMUOH-ZDUSSCGKSA-N 0 0 348.443 2.476 10 10 EECERN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274807195 464755477 /nfs/dbraw/zinc/75/54/77/464755477.db2.gz SZZDXBGEXSUQJF-CQSZACIVSA-N 0 0 343.427 2.483 10 10 EECERN CC1(C)SC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000282623856 464889200 /nfs/dbraw/zinc/88/92/00/464889200.db2.gz FSSSFTJEUPPORV-OAHLLOKOSA-N 0 0 335.473 2.216 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Cn2ccc(C(F)F)n2)c1 ZINC000528859060 467768515 /nfs/dbraw/zinc/76/85/15/467768515.db2.gz GGAANABOMKYMEF-VIFPVBQESA-N 0 0 325.315 2.412 10 10 EECERN COc1cccc(CNC(=O)c2cc(C)n(C3CCOCC3)n2)c1O ZINC000528858912 467769134 /nfs/dbraw/zinc/76/91/34/467769134.db2.gz DWYOVCQYSIIWNM-UHFFFAOYSA-N 0 0 345.399 2.187 10 10 EECERN CNC(=O)NC[C@@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000530105843 467951137 /nfs/dbraw/zinc/95/11/37/467951137.db2.gz UWUNMBGZPSZSCH-OAHLLOKOSA-N 0 0 349.475 2.128 10 10 EECERN CON1CCC(CC(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC000611656256 469298549 /nfs/dbraw/zinc/29/85/49/469298549.db2.gz CEYKJPASRUVNCB-UHFFFAOYSA-N 0 0 333.432 2.142 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(C2CCC2)nn1 ZINC000648307868 471159703 /nfs/dbraw/zinc/15/97/03/471159703.db2.gz FUCDGSKVURDBPS-UHFFFAOYSA-N 0 0 327.388 2.108 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116798376 533719407 /nfs/dbraw/zinc/71/94/07/533719407.db2.gz KMWFZYFRCNCOMV-LJQANCHMSA-N 0 0 341.455 2.497 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2CCCCC2)c1 ZINC000299088849 525221058 /nfs/dbraw/zinc/22/10/58/525221058.db2.gz LAZBULHMYUHYDC-UHFFFAOYSA-N 0 0 326.418 2.074 10 10 EECERN Cc1ccc(C(=O)OCc2cn(-c3ccccc3)nn2)c(O)c1O ZINC000727003904 576385211 /nfs/dbraw/zinc/38/52/11/576385211.db2.gz FKOOLONUGUEWSX-UHFFFAOYSA-N 0 0 325.324 2.344 10 10 EECERN COc1ccc(N2CCC(NC(=O)N(C)Cc3cc[nH]n3)CC2)cc1 ZINC000732701682 577189101 /nfs/dbraw/zinc/18/91/01/577189101.db2.gz OHEZYPCWROXBSW-UHFFFAOYSA-N 0 0 343.431 2.229 10 10 EECERN COc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000772776341 577297280 /nfs/dbraw/zinc/29/72/80/577297280.db2.gz QSPBRODPODZVLW-VQHVLOKHSA-N 0 0 343.335 2.302 10 10 EECERN C[C@H](CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[S@@](C)=O ZINC000773397969 577339689 /nfs/dbraw/zinc/33/96/89/577339689.db2.gz POTLSNAWILCCPJ-GPAUDHNESA-N 0 0 325.478 2.270 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CCSC[C@H]3CCO)ccc21 ZINC000775427375 577437084 /nfs/dbraw/zinc/43/70/84/577437084.db2.gz RLVCAJWGPUYPJI-MRXNPFEDSA-N 0 0 349.500 2.078 10 10 EECERN C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000775692067 577443016 /nfs/dbraw/zinc/44/30/16/577443016.db2.gz XMTOYQNKLPBFCF-LBPRGKRZSA-N 0 0 328.420 2.491 10 10 EECERN Oc1cc2c(cc1CN1CCO[C@@H](c3cccs3)C1)[C@@H](O)CO2 ZINC000768464744 577556478 /nfs/dbraw/zinc/55/64/78/577556478.db2.gz TVFAGVNYCCMCEN-GOEBONIOSA-N 0 0 333.409 2.453 10 10 EECERN COc1ccc(N2CCC(N3C(=O)CN(C4CCC4)C3=O)CC2)cc1 ZINC000761223158 577679660 /nfs/dbraw/zinc/67/96/60/577679660.db2.gz OQGSRHAGFQEDDP-UHFFFAOYSA-N 0 0 343.427 2.481 10 10 EECERN Cc1cc(Br)c(O)c(CNc2cnn(CCO)c2)c1 ZINC000757893941 577866173 /nfs/dbraw/zinc/86/61/73/577866173.db2.gz SHCHHCNTRXUSPV-UHFFFAOYSA-N 0 0 326.194 2.264 10 10 EECERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CC2(OC)CCCC2)c1 ZINC000866842145 674591391 /nfs/dbraw/zinc/59/13/91/674591391.db2.gz RSYNRTLOJUFFPF-GFCCVEGCSA-N 0 0 343.445 2.340 10 10 EECERN COC(=O)c1cc(C)nc(NCc2ccc(OC)cc2O)c1[N+](=O)[O-] ZINC000804683465 675524074 /nfs/dbraw/zinc/52/40/74/675524074.db2.gz XUBMUGVOXRACDW-UHFFFAOYSA-N 0 0 347.327 2.411 10 10 EECERN Cc1cc(CO)oc1C(=O)NCc1cc(Br)ccc1O ZINC000804736933 675611018 /nfs/dbraw/zinc/61/10/18/675611018.db2.gz FNDOJINMBALYEH-UHFFFAOYSA-N 0 0 340.173 2.478 10 10 EECERN O=C(Cc1cncs1)NCc1cc(Br)ccc1O ZINC000804736513 675611023 /nfs/dbraw/zinc/61/10/23/675611023.db2.gz WNMOCOMNDFXIAG-UHFFFAOYSA-N 0 0 327.203 2.470 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(CC2CC2)CC1 ZINC000055669223 676334118 /nfs/dbraw/zinc/33/41/18/676334118.db2.gz DBHPURVDCGMKMV-UHFFFAOYSA-N 0 0 338.411 2.418 10 10 EECERN COC(=O)c1c(CN2CC3(C2)CCOC3)c2cc(F)ccc2n1C ZINC000894868318 683247288 /nfs/dbraw/zinc/24/72/88/683247288.db2.gz SMZSCLSYWLEOPN-UHFFFAOYSA-N 0 0 332.375 2.326 10 10 EECERN COc1ccc(N2CCCN(C(=O)[C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC000194099934 684905886 /nfs/dbraw/zinc/90/58/86/684905886.db2.gz FFMXKMLEZUGXOC-CRAIPNDOSA-N 0 0 332.444 2.407 10 10 EECERN COc1ccc(O)c(CNC(=O)C[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000896361808 684954725 /nfs/dbraw/zinc/95/47/25/684954725.db2.gz PURWESMUHNDSRA-INIZCTEOSA-N 0 0 349.427 2.383 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1OC ZINC000897394753 688771213 /nfs/dbraw/zinc/77/12/13/688771213.db2.gz WHSPGAGLKTXFAM-DDHOLCJHSA-N 0 0 337.397 2.235 10 10 EECERN O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cc2cc(O)c(O)cc2s1 ZINC000897945957 691830851 /nfs/dbraw/zinc/83/08/51/691830851.db2.gz JGGCVXXJTJXYRV-WDEREUQCSA-N 0 0 346.408 2.196 10 10 EECERN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]2COC[C@H]2O1 ZINC000898297552 691931693 /nfs/dbraw/zinc/93/16/93/691931693.db2.gz UZIIIHFNRHFYOM-ZWNOBZJWSA-N 0 0 349.408 2.331 10 10 EECERN CCN(C(=O)CNC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000924647235 693054122 /nfs/dbraw/zinc/05/41/22/693054122.db2.gz ZONPWPJZSIGSIQ-UHFFFAOYSA-N 0 0 339.395 2.471 10 10 EECERN O=C(NCCC[C@H]1CCOC1=O)c1cc2cc(O)c(O)cc2s1 ZINC000899193405 693650009 /nfs/dbraw/zinc/65/00/09/693650009.db2.gz UDCHROYFMQSZKP-VIFPVBQESA-N 0 0 335.381 2.386 10 10 EECERN CN(C)C(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC001142533866 1188238632 /nfs/dbraw/zinc/23/86/32/1188238632.db2.gz UGVBMAHXQREMTF-UHFFFAOYSA-N 0 0 329.356 2.121 10 10 EECERN O=C(N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)C1=CC(=O)CS1 ZINC000871400522 1197718428 /nfs/dbraw/zinc/71/84/28/1197718428.db2.gz ODDGPVWNLFBTKM-MJHDQNEOSA-N 0 0 337.422 2.188 10 10 EECERN O=C(C1=CC(=O)CS1)N1CC2(CC(=O)N2Cc2ccccc2)C1 ZINC000871456999 1197740743 /nfs/dbraw/zinc/74/07/43/1197740743.db2.gz OXOOCNKTYWVNOL-UHFFFAOYSA-N 0 0 328.393 2.081 10 10 EECERN COC(=O)[C@]12CCC[C@H]1N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC000874931180 1199077668 /nfs/dbraw/zinc/07/76/68/1199077668.db2.gz BSWFYQSJOFQRRO-CBCNTLDJSA-N 0 0 331.368 2.055 10 10 EECERN CO[C@@H](C)[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811958036 1200431323 /nfs/dbraw/zinc/43/13/23/1200431323.db2.gz QIZZNDDHAPAUMJ-BDAKNGLRSA-N 0 0 331.210 2.377 10 10 EECERN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203326 1201098188 /nfs/dbraw/zinc/09/81/88/1201098188.db2.gz XTRYJVHWLHCERK-KRWDZBQOSA-N 0 0 349.394 2.013 10 10 EECERN O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871205152 1201099095 /nfs/dbraw/zinc/09/90/95/1201099095.db2.gz PGXTXZURICYJMP-CQSZACIVSA-N 0 0 343.404 2.196 10 10 EECERN CCOC(Cn1cc(C(=O)N2Cc3cccc(O)c3C2)cn1)OCC ZINC000871206045 1201099568 /nfs/dbraw/zinc/09/95/68/1201099568.db2.gz PMXKXWFUCVPMIW-UHFFFAOYSA-N 0 0 345.399 2.144 10 10 EECERN O=C(c1ccoc1C1(O)CCOCC1)N1Cc2cccc(O)c2C1 ZINC000871204953 1201099678 /nfs/dbraw/zinc/09/96/78/1201099678.db2.gz MKRUTJRPSBHLGS-UHFFFAOYSA-N 0 0 329.352 2.139 10 10 EECERN CCC[C@H](CCCS(C)(=O)=O)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205276 1201099723 /nfs/dbraw/zinc/09/97/23/1201099723.db2.gz YFZDILMIXMFWPL-CYBMUJFWSA-N 0 0 339.457 2.476 10 10 EECERN COc1ccc(N2CCN(c3ccc([C@H](C)O)cn3)CC2)c(OC)c1 ZINC000866138709 1201444459 /nfs/dbraw/zinc/44/44/59/1201444459.db2.gz ONEJJDCJNXDYTA-AWEZNQCLSA-N 0 0 343.427 2.479 10 10 EECERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@@H](C)c3ccccc3O)[C@@H]2C1 ZINC000868618951 1201846555 /nfs/dbraw/zinc/84/65/55/1201846555.db2.gz ZTFRYVSXJQVSRN-SDNTUTLCSA-N 0 0 345.443 2.399 10 10 EECERN COc1ccc(N2CCN(C(=O)NCC(C)(C)F)CC2)cc1F ZINC000868837433 1201890153 /nfs/dbraw/zinc/89/01/53/1201890153.db2.gz XBGVGAJBSWIKPZ-UHFFFAOYSA-N 0 0 327.375 2.414 10 10 EECERN CCN1C(=O)/C(=C\c2c3c(nn2C)CCSC3)SC1=S ZINC000887274439 1204251836 /nfs/dbraw/zinc/25/18/36/1204251836.db2.gz SMPDEUFOGZTHSZ-IZZDOVSWSA-N 0 0 325.484 2.431 10 10 EECERN Cc1cc(C(=O)NCc2c(O)cccc2F)nn1C1CCOCC1 ZINC000928708101 1206413620 /nfs/dbraw/zinc/41/36/20/1206413620.db2.gz AMQLEKJVWZAUMJ-UHFFFAOYSA-N 0 0 333.363 2.318 10 10 EECERN CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1c(O)cccc1F ZINC000928711155 1206413971 /nfs/dbraw/zinc/41/39/71/1206413971.db2.gz FTKZPVHOQKTRGJ-UHFFFAOYSA-N 0 0 326.368 2.451 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3cc(C=O)n(C)c3)CC2)cc1 ZINC000930309518 1206548593 /nfs/dbraw/zinc/54/85/93/1206548593.db2.gz KYFQTNYMDBYWAJ-UHFFFAOYSA-N 0 0 341.411 2.199 10 10 EECERN CN1CCCc2cc(CNC(=O)[C@H]3CCCN(C4CC4)C3=O)ccc21 ZINC000931152817 1206611434 /nfs/dbraw/zinc/61/14/34/1206611434.db2.gz ZKNUJZNXVYWJJR-QGZVFWFLSA-N 0 0 341.455 2.086 10 10 EECERN CCS(=O)(=O)C1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000194356124 1211167985 /nfs/dbraw/zinc/16/79/85/1211167985.db2.gz ITJCUBQMCOSQAM-UHFFFAOYSA-N 0 0 327.446 2.108 10 10 EECERN CNC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000795601757 1214391795 /nfs/dbraw/zinc/39/17/95/1214391795.db2.gz OJRFNOCUHTWBEU-HNNXBMFYSA-N 0 0 329.356 2.267 10 10 EECERN Cc1cc(C(=O)NCCNC(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000118656241 1229363852 /nfs/dbraw/zinc/36/38/52/1229363852.db2.gz WYSDVKICLZVFBA-UHFFFAOYSA-N 0 0 334.807 2.146 10 10 EECERN COc1ccccc1[C@@H](O)C(=O)NCCCSc1nccs1 ZINC000900684195 1234655239 /nfs/dbraw/zinc/65/52/39/1234655239.db2.gz ZJUQKWGZXNABAE-CYBMUJFWSA-N 0 0 338.454 2.484 10 10 EECERN COc1ccccc1[C@H](O)C(=O)NCCCSc1nccs1 ZINC000900684197 1234655251 /nfs/dbraw/zinc/65/52/51/1234655251.db2.gz ZJUQKWGZXNABAE-ZDUSSCGKSA-N 0 0 338.454 2.484 10 10 EECERN COc1ccc(N(CC(C)C)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801522441 1235772213 /nfs/dbraw/zinc/77/22/13/1235772213.db2.gz SBLHEZNOFJTQNG-OAHLLOKOSA-N 0 0 340.489 2.439 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3ccc(C#N)nc3)CC2)cc1 ZINC000115056717 1248226160 /nfs/dbraw/zinc/22/61/60/1248226160.db2.gz BMSGJEOTIXFOMZ-UHFFFAOYSA-N 0 0 336.395 2.361 10 10 EECERN CCOc1cccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850353105 1277195689 /nfs/dbraw/zinc/19/56/89/1277195689.db2.gz SJNQOKZCLBNULE-OAHLLOKOSA-N 0 0 326.396 2.468 10 10 EECERN CN(C(=O)NCCc1ccc(N)cc1)[C@@H](CO)Cc1ccccc1 ZINC000851662491 1277707012 /nfs/dbraw/zinc/70/70/12/1277707012.db2.gz DDNWXZZQUZZZLT-GOSISDBHSA-N 0 0 327.428 2.056 10 10 EECERN CCCCOCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852022514 1291959560 /nfs/dbraw/zinc/95/95/60/1291959560.db2.gz QGZYOXATTRQMCV-HNNXBMFYSA-N 0 0 335.448 2.390 10 10 EECERN O=C(NCc1cscn1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852030186 1291963096 /nfs/dbraw/zinc/96/30/96/1291963096.db2.gz ACABMZLOKUZCGX-UHFFFAOYSA-N 0 0 346.456 2.104 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCS3)C2)cc1 ZINC000852198058 1292037505 /nfs/dbraw/zinc/03/75/05/1292037505.db2.gz VBZXVAFXVANDLD-XJKSGUPXSA-N 0 0 335.473 2.469 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NOCc3cccnc3)C2)cc1 ZINC000852221671 1292047485 /nfs/dbraw/zinc/04/74/85/1292047485.db2.gz FECNORNLXJVGPT-OAHLLOKOSA-N 0 0 342.399 2.100 10 10 EECERN CCOC1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852449595 1292116796 /nfs/dbraw/zinc/11/67/96/1292116796.db2.gz UPYDCTMRVCDMOP-OAHLLOKOSA-N 0 0 347.459 2.484 10 10 EECERN Cn1nnc2c1ncnc2N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000853468168 1292391154 /nfs/dbraw/zinc/39/11/54/1292391154.db2.gz PFRRWPRZBZZXRS-UHFFFAOYSA-N 0 0 327.779 2.100 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](O)C(C)(C)C3)C2)cc1 ZINC000854297254 1292709513 /nfs/dbraw/zinc/70/95/13/1292709513.db2.gz LIDQRAMTNNIRBQ-YOEHRIQHSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](SC)C3)C2)cc1 ZINC000854298227 1292710169 /nfs/dbraw/zinc/71/01/69/1292710169.db2.gz YMIIDASAJQIGLJ-XJKSGUPXSA-N 0 0 335.473 2.421 10 10 EECERN CC[C@]1(CO)CCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299310 1292710437 /nfs/dbraw/zinc/71/04/37/1292710437.db2.gz NQTYUFHMBPXVEX-DNVCBOLYSA-N 0 0 347.459 2.220 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cn4ccnc4s3)C2)cc1 ZINC000855227958 1293119859 /nfs/dbraw/zinc/11/98/59/1293119859.db2.gz SGBBXRYUNQIARY-LBPRGKRZSA-N 0 0 342.424 2.413 10 10 EECERN CCCc1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)[nH]n1 ZINC000855231245 1293122263 /nfs/dbraw/zinc/12/22/63/1293122263.db2.gz JCFDAEXWIWHACW-AWEZNQCLSA-N 0 0 328.416 2.380 10 10 EECERN Cc1cc(C(=O)NC[C@@H]2CCC(=O)N2)c(C)n1-c1ccccc1C ZINC000855933881 1293373084 /nfs/dbraw/zinc/37/30/84/1293373084.db2.gz FFJGWHPKVIYLTK-HNNXBMFYSA-N 0 0 325.412 2.411 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCO[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000858798041 1294229542 /nfs/dbraw/zinc/22/95/42/1294229542.db2.gz VLVBJALELWXHRW-LQPUYASZSA-N 0 0 338.335 2.346 10 10 EECERN CN(C)c1cc(F)c(CN2CCN(c3cccnn3)CC2)cc1F ZINC000862238110 1295763426 /nfs/dbraw/zinc/76/34/26/1295763426.db2.gz MAVQWXNPURZHAD-UHFFFAOYSA-N 0 0 333.386 2.143 10 10 EECERN COC(=O)C1=CC[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000862670125 1295924370 /nfs/dbraw/zinc/92/43/70/1295924370.db2.gz ICIYWIARDGBHQZ-HNNXBMFYSA-N 0 0 339.395 2.481 10 10 EECERN CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)c1ccc(C)c(O)c1O ZINC000862685692 1295931033 /nfs/dbraw/zinc/93/10/33/1295931033.db2.gz XATZQQQOQIZEIN-AWEZNQCLSA-N 0 0 345.351 2.302 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Nc2nccc(N(C)C)n2)c1 ZINC000797641536 1304794852 /nfs/dbraw/zinc/79/48/52/1304794852.db2.gz CINWSNRJXGEYAC-JTQLQIEISA-N 0 0 331.376 2.140 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)C1CC1 ZINC001119810946 1309217175 /nfs/dbraw/zinc/21/71/75/1309217175.db2.gz VROIBCAMEXMHHR-UHFFFAOYSA-N 0 0 331.460 2.230 10 10 EECERN C[C@@H](O)[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000840975834 1315449535 /nfs/dbraw/zinc/44/95/35/1315449535.db2.gz ASNVLQKPCSKEGI-RDTXWAMCSA-N 0 0 349.431 2.167 10 10 EECERN CC[C@@H](C)C[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OC ZINC000843415326 1315910836 /nfs/dbraw/zinc/91/08/36/1315910836.db2.gz JLNMSDYEJYGCKW-ZYHUDNBSSA-N 0 0 340.376 2.376 10 10 EECERN CC[C@@H](C)C[C@H](NCc1cc(OC)c(OC)cc1O)C(=O)OC ZINC000843416550 1315911490 /nfs/dbraw/zinc/91/14/90/1315911490.db2.gz UUYWTDIKTTXAJP-YPMHNXCESA-N 0 0 325.405 2.477 10 10 EECERN COc1ccc(O)c(CN[C@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 ZINC000843432433 1315914686 /nfs/dbraw/zinc/91/46/86/1315914686.db2.gz LQLHCGSIZKGOQP-INIZCTEOSA-N 0 0 347.415 2.307 10 10 EECERN C[C@@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c21)c1ccc(N(C)C)cc1 ZINC001154669336 1317257761 /nfs/dbraw/zinc/25/77/61/1317257761.db2.gz XIYGFRUPVBISMQ-SNVBAGLBSA-N 0 0 325.372 2.221 10 10 EECERN O=C(CCc1nc(-c2ccncc2)no1)NCc1c(O)cccc1F ZINC001156170476 1317905557 /nfs/dbraw/zinc/90/55/57/1317905557.db2.gz NVNWWWDTRZYFRQ-UHFFFAOYSA-N 0 0 342.330 2.225 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001156402926 1317996771 /nfs/dbraw/zinc/99/67/71/1317996771.db2.gz ZFQLKDBYVSOMGH-ZYHUDNBSSA-N 0 0 332.360 2.263 10 10 EECERN O=C(Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1)c1cccc(O)c1O ZINC001161198297 1320417126 /nfs/dbraw/zinc/41/71/26/1320417126.db2.gz QZNQDDTVYMNPKX-UHFFFAOYSA-N 0 0 346.730 2.494 10 10 EECERN O=C(NCc1ccccc1O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001294925597 1329764546 /nfs/dbraw/zinc/76/45/46/1329764546.db2.gz QBAODBVNPRCZSH-CYBMUJFWSA-N 0 0 328.343 2.201 10 10 EECERN CCOc1ccc(N2CCN(C(=O)Cc3cc(C)no3)CC2)cc1 ZINC001295275150 1329797920 /nfs/dbraw/zinc/79/79/20/1329797920.db2.gz HPJWIEGRQAHPDZ-UHFFFAOYSA-N 0 0 329.400 2.273 10 10 EECERN COCC(=O)N1CCc2c1cccc2NC(=O)C1=CC(=O)CS1 ZINC001296170393 1329873132 /nfs/dbraw/zinc/87/31/32/1329873132.db2.gz BYWUZZHDFCSEQE-UHFFFAOYSA-N 0 0 332.381 2.242 10 10 EECERN CC(C)CC(=O)NC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298229047 1330046814 /nfs/dbraw/zinc/04/68/14/1330046814.db2.gz ZVAJBKVVESGVCV-IYYWNQSKSA-N 0 0 345.403 2.297 10 10 EECERN Cc1cc(C(=O)N(C)CCc2ncon2)c(C)n1-c1ccccn1 ZINC001304028107 1331373861 /nfs/dbraw/zinc/37/38/61/1331373861.db2.gz VQBXTJOSSWMVBO-UHFFFAOYSA-N 0 0 325.372 2.187 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)[C@]12CCC(=O)N1CCS2 ZINC001304090109 1331376462 /nfs/dbraw/zinc/37/64/62/1331376462.db2.gz YBMHGAIVSFIJSR-GOSISDBHSA-N 0 0 342.420 2.227 10 10 EECERN COc1ccc(N2CCC([NH2+]C[C@@]3(C(=O)[O-])CCCOC3)CC2)cc1 ZINC000901946142 1331528778 /nfs/dbraw/zinc/52/87/78/1331528778.db2.gz UUMSMMIDNYKQFO-IBGZPJMESA-N 0 0 348.443 2.135 10 10 EECERN CC1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC001321658558 1333139122 /nfs/dbraw/zinc/13/91/22/1333139122.db2.gz NHFVTMRAFGZZPH-UHFFFAOYSA-N 0 0 329.444 2.209 10 10 EECERN CN1CCN(c2ccc(C[N@@H+]3CCOCC4(CC4)C3)cc2F)CC1 ZINC001325202242 1333847113 /nfs/dbraw/zinc/84/71/13/1333847113.db2.gz VSXAJIKCNRYWSF-UHFFFAOYSA-N 0 0 333.451 2.190 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)C(F)(F)F)cc1 ZINC001326174901 1334036768 /nfs/dbraw/zinc/03/67/68/1334036768.db2.gz MZCODSKFRQZSJY-UHFFFAOYSA-N 0 0 345.365 2.074 10 10 EECERN C[C@@H](NC(=O)C(=O)N[C@@H]1CC=CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC001334163385 1336215172 /nfs/dbraw/zinc/21/51/72/1336215172.db2.gz ZFUPWUFOOHZEQR-CKEIUWERSA-N 0 0 329.444 2.401 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001334423413 1336251778 /nfs/dbraw/zinc/25/17/78/1336251778.db2.gz RDNHBWFILDRXAR-KBPBESRZSA-N 0 0 349.408 2.333 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001334423422 1336251837 /nfs/dbraw/zinc/25/18/37/1336251837.db2.gz RDNHBWFILDRXAR-UONOGXRCSA-N 0 0 349.408 2.333 10 10 EECERN C[C@H](CN(C)C(=O)CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001336988483 1336626758 /nfs/dbraw/zinc/62/67/58/1336626758.db2.gz VCCCGGDCBGCWOK-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC2CCC=CCC2)cc1F ZINC001353671960 1338316880 /nfs/dbraw/zinc/31/68/80/1338316880.db2.gz KBLTVXYLXRFZFS-UHFFFAOYSA-N 0 0 333.407 2.123 10 10 EECERN CN(CCNC(=O)CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001355535305 1338727884 /nfs/dbraw/zinc/72/78/84/1338727884.db2.gz FHGOUOQDCSLIAX-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN C=C/C=C\CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001542180248 1342328046 /nfs/dbraw/zinc/32/80/46/1342328046.db2.gz FDFNYIOOBUSPPN-MJSXRHKHSA-N 0 0 327.428 2.137 10 10 EECERN Cc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC001558438854 1342476814 /nfs/dbraw/zinc/47/68/14/1342476814.db2.gz ULMUHRRWYKKIDA-GBEXYDAJSA-N 0 0 328.412 2.017 10 10 EECERN C[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccccc1O ZINC001675158079 1356940621 /nfs/dbraw/zinc/94/06/21/1356940621.db2.gz BPHVMGGYQPXQOB-ZLENFMNRSA-N 0 0 343.383 2.383 10 10 EECERN Cc1cc(C=O)c(O)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001567467972 1342764766 /nfs/dbraw/zinc/76/47/66/1342764766.db2.gz WTMVDVJQDYTMFN-LLVKDONJSA-N 0 0 329.352 2.285 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H](O)c1ccc(Cl)cc1F ZINC001593881055 1349873249 /nfs/dbraw/zinc/87/32/49/1349873249.db2.gz DJDACLIDZBRNAZ-CQSZACIVSA-N 0 0 325.723 2.240 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)Cc2ccccc2F)cc1 ZINC001596272988 1349904651 /nfs/dbraw/zinc/90/46/51/1349904651.db2.gz IRBJAQSDJBEJGB-CQSZACIVSA-N 0 0 344.346 2.322 10 10 EECERN Cc1cc(CC(=O)N[C@H](CO)c2ncc[nH]2)c(C)n1-c1ccccc1 ZINC001597918276 1349933361 /nfs/dbraw/zinc/93/33/61/1349933361.db2.gz QNNBMTKEDWHAJL-QGZVFWFLSA-N 0 0 338.411 2.210 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC001623574323 1352400407 /nfs/dbraw/zinc/40/04/07/1352400407.db2.gz MPWGESFMGCNISG-KBPBESRZSA-N 0 0 342.432 2.468 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1ccc(Cn2ccnn2)o1 ZINC001627073843 1352482340 /nfs/dbraw/zinc/48/23/40/1352482340.db2.gz XITQLYAQQSAMAO-UHFFFAOYSA-N 0 0 349.350 2.103 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1coc(C(N)=O)c1 ZINC001628950206 1352545786 /nfs/dbraw/zinc/54/57/86/1352545786.db2.gz AOSBJMUYRWQLAU-UHFFFAOYSA-N 0 0 327.384 2.251 10 10 EECERN CCCCCC(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001631533616 1352585261 /nfs/dbraw/zinc/58/52/61/1352585261.db2.gz YXPPFGXNEBNWLG-UHFFFAOYSA-N 0 0 348.443 2.328 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001633819230 1352618334 /nfs/dbraw/zinc/61/83/34/1352618334.db2.gz OLKCIMOMCIVMLV-SNVBAGLBSA-N 0 0 339.351 2.108 10 10 EECERN C[C@@H]1CC(=O)Nc2ccc(C(=O)NCc3ccccc3O)cc2N1 ZINC001636057429 1352657203 /nfs/dbraw/zinc/65/72/03/1352657203.db2.gz CJDZBFAVXCPNCJ-LLVKDONJSA-N 0 0 325.368 2.465 10 10 EECERN O=C(CSc1nncs1)NCc1ccc2cccnc2c1O ZINC001643283115 1352745010 /nfs/dbraw/zinc/74/50/10/1352745010.db2.gz GUYQFTXMJYJBKN-UHFFFAOYSA-N 0 0 332.410 2.200 10 10 EECERN CNC(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001647790903 1353401673 /nfs/dbraw/zinc/40/16/73/1353401673.db2.gz BLRJSYMPNLIIMG-UHFFFAOYSA-N 0 0 335.363 2.230 10 10 EECERN Cc1cnc2nc(C(=O)NCc3c(O)ccc4ccccc43)nn2c1 ZINC001647794743 1353402378 /nfs/dbraw/zinc/40/23/78/1353402378.db2.gz QFRNKVWCLXDTEC-UHFFFAOYSA-N 0 0 333.351 2.222 10 10 EECERN Cn1cc(C(=O)NCc2c(O)cccc2F)c(-c2ccncc2)n1 ZINC001652295296 1354085667 /nfs/dbraw/zinc/08/56/67/1354085667.db2.gz GPRHRADLKBREHQ-UHFFFAOYSA-N 0 0 326.331 2.257 10 10 EECERN O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1c(F)ccc(O)c1O ZINC001654798759 1354158044 /nfs/dbraw/zinc/15/80/44/1354158044.db2.gz OOVBMACHBVQAAI-NSHDSACASA-N 0 0 339.750 2.224 10 10 EECERN CCOC(=O)CN(CCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC001654805893 1354158941 /nfs/dbraw/zinc/15/89/41/1354158941.db2.gz HNJXGUYUQRSUBB-UHFFFAOYSA-N 0 0 337.416 2.489 10 10 EECERN COc1ccc(N2CCN(C(=O)C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000169339849 790290197 /nfs/dbraw/zinc/29/01/97/790290197.db2.gz NIFOSFAGUOBDHA-UHFFFAOYSA-N 0 0 342.370 2.366 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccnc(-n2ccnc2)c1 ZINC000588405544 759563745 /nfs/dbraw/zinc/56/37/45/759563745.db2.gz DHYCQBKDXCFITR-RQOWECAXSA-N 0 0 336.351 2.008 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@H](c2ncccn2)C2CC2)c1 ZINC000918745589 769365751 /nfs/dbraw/zinc/36/57/51/769365751.db2.gz ORGSICQLRZHFOX-HNNXBMFYSA-N 0 0 328.372 2.141 10 10 EECERN COc1ccc(CNC(=O)N[C@@H](c2ncccn2)C2CC2)c(O)c1 ZINC000925466900 769950853 /nfs/dbraw/zinc/95/08/53/769950853.db2.gz OUWMKHCGFPNKQS-OAHLLOKOSA-N 0 0 328.372 2.141 10 10 EECERN O=S(=O)(CC1Cc2ccccc2C1)NCc1c(O)cccc1F ZINC000921452558 773382456 /nfs/dbraw/zinc/38/24/56/773382456.db2.gz SCVRSNVGGRDXEW-UHFFFAOYSA-N 0 0 335.400 2.366 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC12CCCC2 ZINC000846733871 790480509 /nfs/dbraw/zinc/48/05/09/790480509.db2.gz SKCPLJNOIWDFOJ-UHFFFAOYSA-N 0 0 329.444 2.222 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=S)NC[C@@H]3CCCO3)C2)cc1 ZINC000819020787 785385383 /nfs/dbraw/zinc/38/53/83/785385383.db2.gz MBMPJULWHOXPQO-PBHICJAKSA-N 0 0 349.500 2.165 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)CCOCC3CC3)C2)cc1 ZINC000819585027 785595807 /nfs/dbraw/zinc/59/58/07/785595807.db2.gz VZHIWAUXTNTOID-INIZCTEOSA-N 0 0 332.444 2.454 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)C1CCOCC1 ZINC000819697012 785645792 /nfs/dbraw/zinc/64/57/92/785645792.db2.gz LNQRQZUORSZLDX-CQSZACIVSA-N 0 0 349.427 2.347 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000819698485 785645795 /nfs/dbraw/zinc/64/57/95/785645795.db2.gz MGPCEZJTGAVDGU-UHFFFAOYSA-N 0 0 344.367 2.007 10 10 EECERN O=C(NCc1ccc(O)cc1O)C1([C@@H]2CCCCO2)CCOCC1 ZINC000910954982 787134284 /nfs/dbraw/zinc/13/42/84/787134284.db2.gz CDISQDYMUWRUAH-INIZCTEOSA-N 0 0 335.400 2.080 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3cn(C)nc3Cl)CC2)cc1 ZINC000822656363 787315942 /nfs/dbraw/zinc/31/59/42/787315942.db2.gz WNRHTIPPTKJDJE-UHFFFAOYSA-N 0 0 348.834 2.435 10 10 EECERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276409 787347480 /nfs/dbraw/zinc/34/74/80/787347480.db2.gz MFHYEYMDZNEFHG-KJWYOANISA-N 0 0 332.444 2.309 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3c(n2)OCCO3)c1 ZINC000825032880 788406025 /nfs/dbraw/zinc/40/60/25/788406025.db2.gz GUJDZGVAOJAQNP-SNVBAGLBSA-N 0 0 345.355 2.450 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3CC(C)(C(N)=O)C3)c2C)cc1 ZINC000843939701 788762347 /nfs/dbraw/zinc/76/23/47/788762347.db2.gz OGNJOVMLTHFJAR-UHFFFAOYSA-N 0 0 341.411 2.050 10 10 EECERN CC[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)OC ZINC000844028823 788792459 /nfs/dbraw/zinc/79/24/59/788792459.db2.gz YBVUTKDXFUURBU-AWEZNQCLSA-N 0 0 329.400 2.418 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@H](n1cccn1)C(F)(F)F ZINC000923396791 789492759 /nfs/dbraw/zinc/49/27/59/789492759.db2.gz XAWAJTUDEYQWPB-LBPRGKRZSA-N 0 0 346.284 2.331 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@@H](n1cccn1)C(F)(F)F ZINC000923396790 789492876 /nfs/dbraw/zinc/49/28/76/789492876.db2.gz XAWAJTUDEYQWPB-GFCCVEGCSA-N 0 0 346.284 2.331 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2coc(S(C)(=O)=O)c2)cc1 ZINC000845116012 789583342 /nfs/dbraw/zinc/58/33/42/789583342.db2.gz VHCVUOHJAOMLAZ-UHFFFAOYSA-N 0 0 336.413 2.021 10 10 EECERN NC(=O)C1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715824990 795537640 /nfs/dbraw/zinc/53/76/40/795537640.db2.gz BYCUWDLKEOOSTC-UHFFFAOYSA-N 0 0 345.212 2.428 10 10 EECERN COC(=O)CC1CC(NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000915390774 795961270 /nfs/dbraw/zinc/96/12/70/795961270.db2.gz PSMXPGATTXUSOF-UHFFFAOYSA-N 0 0 345.443 2.210 10 10 EECERN COc1ccc(N2CCN(C(=O)c3c(C)[nH]nc3Cl)CC2)cc1 ZINC000824679166 800280747 /nfs/dbraw/zinc/28/07/47/800280747.db2.gz ZATWDCQBZWPBDY-UHFFFAOYSA-N 0 0 334.807 2.343 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](O)CC(F)(F)C2)cc1 ZINC000786711465 806848081 /nfs/dbraw/zinc/84/80/81/806848081.db2.gz ZACKHRBGXKLEBY-HNNXBMFYSA-N 0 0 341.402 2.444 10 10 EECERN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCC(F)F)cc2)C1 ZINC000793132938 810156810 /nfs/dbraw/zinc/15/68/10/810156810.db2.gz QLTFXEPICSNZAG-ZDUSSCGKSA-N 0 0 339.386 2.050 10 10 EECERN O=C(CCC(F)F)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000793583376 810418593 /nfs/dbraw/zinc/41/85/93/810418593.db2.gz OZMNIGXGZYMLSK-UHFFFAOYSA-N 0 0 330.350 2.448 10 10 EECERN COc1ccc(CNC(=O)Cn2ccc(=O)c3ccccc32)c(O)c1 ZINC000794379064 810804655 /nfs/dbraw/zinc/80/46/55/810804655.db2.gz JBTORVDUJYNRBC-UHFFFAOYSA-N 0 0 338.363 2.032 10 10 EECERN C[C@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807289652 812175650 /nfs/dbraw/zinc/17/56/50/812175650.db2.gz DAFSCRNUDJMDBX-HOTGVXAUSA-N 0 0 341.455 2.326 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC001566562818 1125736998 /nfs/dbraw/zinc/73/69/98/1125736998.db2.gz PCZJUBRISQTMDO-UHFFFAOYSA-N 0 0 342.395 2.459 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C/CN1CCOCC1 ZINC001440710846 1093957891 /nfs/dbraw/zinc/95/78/91/1093957891.db2.gz FXCRUNGGBRQDKB-SNAWJCMRSA-N 0 0 343.471 2.134 10 10 EECERN O=Cc1ccccc1OCC(=O)NCc1ccc2cccnc2c1O ZINC001451945971 1098049261 /nfs/dbraw/zinc/04/92/61/1098049261.db2.gz BMPSPBHBLROFTP-UHFFFAOYSA-N 0 0 336.347 2.448 10 10 EECERN C[C@H](NC(=O)Cc1ccccc1NS(C)(=O)=O)c1ccccc1O ZINC001454818710 1107714308 /nfs/dbraw/zinc/71/43/08/1107714308.db2.gz NQGPPYTZJYWQEP-LBPRGKRZSA-N 0 0 348.424 2.184 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001457734298 1109748461 /nfs/dbraw/zinc/74/84/61/1109748461.db2.gz YJIBZYOECRSSJH-KRWDZBQOSA-N 0 0 335.306 2.110 10 10 EECERN O=C(NCCOc1cncc(Cl)c1)c1c(F)ccc(O)c1O ZINC001457811840 1109776093 /nfs/dbraw/zinc/77/60/93/1109776093.db2.gz VRPWWZQYCVRYFV-UHFFFAOYSA-N 0 0 326.711 2.094 10 10 EECERN COc1nsc(OC)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001464540628 1110396926 /nfs/dbraw/zinc/39/69/26/1110396926.db2.gz GRCACDLMFLSJAH-UHFFFAOYSA-N 0 0 339.392 2.295 10 10 EECERN COc1cccc(CNC(=O)[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC001465992731 1110427870 /nfs/dbraw/zinc/42/78/70/1110427870.db2.gz LFXNYVMQHLIUCR-AWEZNQCLSA-N 0 0 335.787 2.447 10 10 EECERN Cc1sc(=O)n(CC(=O)NCc2ccc3cccnc3c2O)c1C ZINC001469251573 1110487965 /nfs/dbraw/zinc/48/79/65/1110487965.db2.gz YKDVLAKEALILIR-UHFFFAOYSA-N 0 0 343.408 2.097 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001469873649 1110498253 /nfs/dbraw/zinc/49/82/53/1110498253.db2.gz DKFZCDWLYJXFSM-DJWKRKHSSA-N 0 0 345.786 2.130 10 10 EECERN CS(=O)(=O)c1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1F ZINC001471355825 1110521387 /nfs/dbraw/zinc/52/13/87/1110521387.db2.gz WQBMMXUISYBEQE-UHFFFAOYSA-N 0 0 335.356 2.091 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001511780584 1118246787 /nfs/dbraw/zinc/24/67/87/1118246787.db2.gz UOWIMSXYAHQCSW-GDBMZVCRSA-N 0 0 330.432 2.480 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@]2(C)CC(C)(C)OC2=O)c1 ZINC001520145610 1119131837 /nfs/dbraw/zinc/13/18/37/1119131837.db2.gz IDBUEEQQQBJWNT-DYZYQPBXSA-N 0 0 336.388 2.245 10 10 EECERN COC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC001524793267 1120228346 /nfs/dbraw/zinc/22/83/46/1120228346.db2.gz DFNFZIPYFDNBFS-UHFFFAOYSA-N 0 0 343.383 2.332 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ncoc2-c2ccon2)cc1F ZINC001535619729 1123589487 /nfs/dbraw/zinc/58/94/87/1123589487.db2.gz RNCMCSKQJGSONG-UHFFFAOYSA-N 0 0 330.319 2.465 10 10 EECERN Cc1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001542227264 1124111731 /nfs/dbraw/zinc/11/17/31/1124111731.db2.gz XFESZTIJMNRCSI-AWEZNQCLSA-N 0 0 329.448 2.234 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3nccs3)C2)cc1 ZINC000111415560 529781468 /nfs/dbraw/zinc/78/14/68/529781468.db2.gz HIUSPVZENUXROQ-OAHLLOKOSA-N 0 0 346.456 2.492 10 10 EECERN Cc1csc([C@H]2CN(Cc3cc4c(cc3O)OCO4)CCO2)n1 ZINC000156511025 463033456 /nfs/dbraw/zinc/03/34/56/463033456.db2.gz GWGWHVGNRDAYCI-OAHLLOKOSA-N 0 0 334.397 2.459 10 10 EECERN CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCN1CC(F)F ZINC000297251519 465250160 /nfs/dbraw/zinc/25/01/60/465250160.db2.gz VKYWKCKFPGPVCP-SECBINFHSA-N 0 0 332.322 2.038 10 10 EECERN CC1CCN(c2ccc(CNC(=O)N[C@H]3CCCNC3=O)cc2)CC1 ZINC000297355099 465253602 /nfs/dbraw/zinc/25/36/02/465253602.db2.gz UATDGETZQLNSFE-KRWDZBQOSA-N 0 0 344.459 2.001 10 10 EECERN COc1ccc(N2CCN(c3nc(C(=O)N(C)C)cs3)CC2)cc1 ZINC000065211497 462742892 /nfs/dbraw/zinc/74/28/92/462742892.db2.gz LISPUWNSMAQHDU-UHFFFAOYSA-N 0 0 346.456 2.180 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@H](C)CO)cc1F ZINC000077825026 463057802 /nfs/dbraw/zinc/05/78/02/463057802.db2.gz RZBJQBXTEVTUHX-CHWSQXEVSA-N 0 0 325.428 2.488 10 10 EECERN Cc1cc(C)n(C[C@@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)n1 ZINC000122519728 463271207 /nfs/dbraw/zinc/27/12/07/463271207.db2.gz RXUKNBRKLCWEDR-IBGZPJMESA-N 0 0 328.460 2.467 10 10 EECERN C[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000071796090 463426178 /nfs/dbraw/zinc/42/61/78/463426178.db2.gz VVJCHPWLNLPPQZ-QAPCUYQASA-N 0 0 347.459 2.405 10 10 EECERN Cc1ccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(O)c1O ZINC000277723837 463929150 /nfs/dbraw/zinc/92/91/50/463929150.db2.gz YLLLUHIXCSBQLD-TVQRCGJNSA-N 0 0 333.306 2.182 10 10 EECERN COc1c([O-])c(C[NH2+]C[C@@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278496180 463968009 /nfs/dbraw/zinc/96/80/09/463968009.db2.gz MMNUUJVXCWNZTM-AWEZNQCLSA-N 0 0 332.356 2.175 10 10 EECERN CCOCc1nc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)no1 ZINC000290775960 464131684 /nfs/dbraw/zinc/13/16/84/464131684.db2.gz MGTFLZGIGIPZNA-GFCCVEGCSA-N 0 0 347.419 2.233 10 10 EECERN CCC(=O)N1CSC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174523126 464418936 /nfs/dbraw/zinc/41/89/36/464418936.db2.gz IDLSPGLVJOQSAS-HNNXBMFYSA-N 0 0 348.468 2.199 10 10 EECERN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000295216016 464748105 /nfs/dbraw/zinc/74/81/05/464748105.db2.gz BEPYDTWVXFUWEB-CYBMUJFWSA-N 0 0 328.815 2.481 10 10 EECERN CN(CCOc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301609267 465995453 /nfs/dbraw/zinc/99/54/53/465995453.db2.gz PKNXEHDQSCZWAJ-UHFFFAOYSA-N 0 0 343.339 2.441 10 10 EECERN CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000528789649 467757324 /nfs/dbraw/zinc/75/73/24/467757324.db2.gz VLDPYSZTUFWNOU-ALLJEULLSA-N 0 0 325.405 2.219 10 10 EECERN CNC(=O)NC[C@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000530105842 467950961 /nfs/dbraw/zinc/95/09/61/467950961.db2.gz UWUNMBGZPSZSCH-HNNXBMFYSA-N 0 0 349.475 2.128 10 10 EECERN C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000361450379 534040351 /nfs/dbraw/zinc/04/03/51/534040351.db2.gz BFUJWUIANGTDAZ-JFUSQASVSA-N 0 0 339.779 2.053 10 10 EECERN COc1ccccc1N1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000193132021 534156519 /nfs/dbraw/zinc/15/65/19/534156519.db2.gz KEKXMNOWBZEPMF-LBPRGKRZSA-N 0 0 328.368 2.115 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCCc2nc(C)no2)cc1F ZINC000066926990 528304617 /nfs/dbraw/zinc/30/46/17/528304617.db2.gz ZVNAPODDPAKUBB-UHFFFAOYSA-N 0 0 349.410 2.405 10 10 EECERN C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CC1=O ZINC000742392207 575980295 /nfs/dbraw/zinc/98/02/95/575980295.db2.gz NOLGTJCPZJENTF-SUZMYJTESA-N 0 0 339.233 2.254 10 10 EECERN C[C@@H](NC(=O)NCc1ccccc1O)c1nnc2n1CCCCC2 ZINC000729606855 576668378 /nfs/dbraw/zinc/66/83/78/576668378.db2.gz SGZLZVRSPIYIQS-GFCCVEGCSA-N 0 0 329.404 2.271 10 10 EECERN COC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776237613 577455473 /nfs/dbraw/zinc/45/54/73/577455473.db2.gz HNNKXVKRXAJTOB-HIFRSBDPSA-N 0 0 333.432 2.408 10 10 EECERN COc1cc(OC)c(CNC(=O)c2cccc(O)c2O)c(OC)c1 ZINC000776335676 577457845 /nfs/dbraw/zinc/45/78/45/577457845.db2.gz KNOCKDXEICRNRL-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN Cc1nnccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000776482477 577460578 /nfs/dbraw/zinc/46/05/78/577460578.db2.gz ONKWLJGRQSJCSR-UHFFFAOYSA-N 0 0 341.415 2.286 10 10 EECERN Nc1ccccc1S(=O)(=O)NCCCSc1nccs1 ZINC000767775611 577544697 /nfs/dbraw/zinc/54/46/97/577544697.db2.gz SNZGMWIRIJNCEV-UHFFFAOYSA-N 0 0 329.472 2.186 10 10 EECERN CCCN(CCC)c1ccc(CN2CCn3c(CO)nnc3C2)cc1 ZINC000769517035 577579612 /nfs/dbraw/zinc/57/96/12/577579612.db2.gz NNEDBMNTJLGBEV-UHFFFAOYSA-N 0 0 343.475 2.413 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(C)cnc1N ZINC000769750793 577583460 /nfs/dbraw/zinc/58/34/60/577583460.db2.gz AJWCBHFNIQBZIJ-UHFFFAOYSA-N 0 0 348.472 2.249 10 10 EECERN COc1cccc(O)c1CN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000770350403 577594433 /nfs/dbraw/zinc/59/44/33/577594433.db2.gz GVSHUMUCKIEACB-CJNGLKHVSA-N 0 0 333.384 2.318 10 10 EECERN COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccccc2O)cc1 ZINC000751148921 577748616 /nfs/dbraw/zinc/74/86/16/577748616.db2.gz CDRGBYOBFDDWFD-FLIBITNWSA-N 0 0 347.392 2.057 10 10 EECERN COC(=O)c1cc(C)ccc1S(=O)(=O)N(C)Cc1ccccc1O ZINC000754020808 577798711 /nfs/dbraw/zinc/79/87/11/577798711.db2.gz AYUQPJHFBFSIAW-UHFFFAOYSA-N 0 0 349.408 2.308 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3cc(C)nc(C)n3)CC2)cc1 ZINC000754154565 577801230 /nfs/dbraw/zinc/80/12/30/577801230.db2.gz CNWSGFZPLUAMDV-UHFFFAOYSA-N 0 0 340.427 2.455 10 10 EECERN COC[C@@](C)(O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000754975159 577817375 /nfs/dbraw/zinc/81/73/75/577817375.db2.gz BKQBAZMIUFMYOI-LJQANCHMSA-N 0 0 330.428 2.150 10 10 EECERN Cc1ncc(C(=O)NCc2cc(Br)ccc2O)c(C)n1 ZINC000804739702 675612045 /nfs/dbraw/zinc/61/20/45/675612045.db2.gz OYMXOMFLJWJNIC-UHFFFAOYSA-N 0 0 336.189 2.492 10 10 EECERN O=C1OC(c2cccnc2)=N/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000255549049 678667765 /nfs/dbraw/zinc/66/77/65/678667765.db2.gz KZKBSDOUAXYWQC-ATVHPVEESA-N 0 0 335.363 2.263 10 10 EECERN COC(=O)c1c(CNCc2nonc2C)c2cc(F)ccc2n1C ZINC000894770694 683076449 /nfs/dbraw/zinc/07/64/49/683076449.db2.gz OXGBPBRDKKDYBH-UHFFFAOYSA-N 0 0 332.335 2.085 10 10 EECERN COC(=O)[C@@H]1CN(Cc2cc(OC)ccc2O)c2ccc(F)cc2O1 ZINC000895140593 684096234 /nfs/dbraw/zinc/09/62/34/684096234.db2.gz UTBMVOYOTJBAKT-KRWDZBQOSA-N 0 0 347.342 2.481 10 10 EECERN COC(=O)[C@H](CC1CCOCC1)NCc1cc(Cl)ccc1O ZINC000895592025 684658856 /nfs/dbraw/zinc/65/88/56/684658856.db2.gz SSERDYUFHMBTKK-AWEZNQCLSA-N 0 0 327.808 2.494 10 10 EECERN CCCN(CC(=O)N(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897223190 686278749 /nfs/dbraw/zinc/27/87/49/686278749.db2.gz DHCAAYGMSAXKEY-UHFFFAOYSA-N 0 0 336.413 2.253 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000897866308 691806020 /nfs/dbraw/zinc/80/60/20/691806020.db2.gz WBDKVPXWJGFTLV-CSAOUQSSSA-N 0 0 343.471 2.338 10 10 EECERN CCCn1cc(/C=C2/c3ccccc3N(CC(=O)OCC)C2=O)nn1 ZINC000865221542 1198129610 /nfs/dbraw/zinc/12/96/10/1198129610.db2.gz HBBJFWTWSBVCCG-GDNBJRDFSA-N 0 0 340.383 2.138 10 10 EECERN Cn1cc(C(F)F)c(CNCc2ccc(N3CCOCC3)cc2)n1 ZINC000865811077 1198386492 /nfs/dbraw/zinc/38/64/92/1198386492.db2.gz VUFXNCIOQDWRRH-UHFFFAOYSA-N 0 0 336.386 2.484 10 10 EECERN Cc1cc(O)c(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1Cl ZINC000825882265 1199661369 /nfs/dbraw/zinc/66/13/69/1199661369.db2.gz HJTNAFZMEMRKHN-CYBMUJFWSA-N 0 0 346.880 2.210 10 10 EECERN Cc1cn(C)nc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000826064101 1200626718 /nfs/dbraw/zinc/62/67/18/1200626718.db2.gz DQTNMCRVUJCOAK-CQSZACIVSA-N 0 0 343.431 2.448 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](CCOC)COC ZINC000812573837 1200782697 /nfs/dbraw/zinc/78/26/97/1200782697.db2.gz VBTSTEWCIVZWBK-INIZCTEOSA-N 0 0 337.464 2.336 10 10 EECERN O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N1Cc2cccc(O)c2C1 ZINC000871198288 1201096045 /nfs/dbraw/zinc/09/60/45/1201096045.db2.gz GDOUEEWCNXSDKM-OAHLLOKOSA-N 0 0 343.427 2.162 10 10 EECERN O=C(N1Cc2cccc(O)c2C1)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000871204794 1201099813 /nfs/dbraw/zinc/09/98/13/1201099813.db2.gz LDQRLLBYRSSOML-FQEVSTJZSA-N 0 0 336.391 2.082 10 10 EECERN COc1cccc(CNC(=O)NCc2c3c(nn2C)CCCC3)c1O ZINC000813232420 1201174742 /nfs/dbraw/zinc/17/47/42/1201174742.db2.gz HBKHQHBZHQLIRL-UHFFFAOYSA-N 0 0 344.415 2.013 10 10 EECERN Cc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccccc1O)OCO2 ZINC000867836391 1201691176 /nfs/dbraw/zinc/69/11/76/1201691176.db2.gz QWMITKBCDFFRPO-NSHDSACASA-N 0 0 335.381 2.469 10 10 EECERN C[C@@H](NC(=O)NC[C@@H]1CC2(CO1)CCOCC2)c1ccccc1O ZINC000869039997 1201927957 /nfs/dbraw/zinc/92/79/57/1201927957.db2.gz VKLGZGQVNSPGPF-KGLIPLIRSA-N 0 0 334.416 2.338 10 10 EECERN COCCOc1cccc(CC(=O)NCc2c(O)cccc2F)c1 ZINC000928704526 1206413567 /nfs/dbraw/zinc/41/35/67/1206413567.db2.gz AWGKLUJMURXCFU-UHFFFAOYSA-N 0 0 333.359 2.415 10 10 EECERN COCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000160087431 1208527743 /nfs/dbraw/zinc/52/77/43/1208527743.db2.gz MXUCNPYVQLOKKQ-UHFFFAOYSA-N 0 0 330.384 2.397 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C2(CO)CCOCC2)c1 ZINC000781632868 1209431227 /nfs/dbraw/zinc/43/12/27/1209431227.db2.gz YLUGRKBAAKELGB-UHFFFAOYSA-N 0 0 330.222 2.094 10 10 EECERN CCCN(CCC)c1ccc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000779432273 1210258172 /nfs/dbraw/zinc/25/81/72/1210258172.db2.gz BAWWFCRYHLNWIS-KRWDZBQOSA-N 0 0 344.459 2.049 10 10 EECERN CSC[C@@H](CCO)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000305120911 1216148895 /nfs/dbraw/zinc/14/88/95/1216148895.db2.gz GWKJRUNXRUVXOR-GFCCVEGCSA-N 0 0 333.413 2.094 10 10 EECERN CS[C@H](CO)[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000305184427 1216154032 /nfs/dbraw/zinc/15/40/32/1216154032.db2.gz XFEPBVIWBMNTKA-ZWNOBZJWSA-N 0 0 333.413 2.093 10 10 EECERN COC[C@H]1CCN(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000800894719 1234759789 /nfs/dbraw/zinc/75/97/89/1234759789.db2.gz HTVAKZZYYRFCPU-KRWDZBQOSA-N 0 0 347.459 2.043 10 10 EECERN COc1nnc(NC(=O)NCCCSc2nccs2)s1 ZINC000801746895 1236128686 /nfs/dbraw/zinc/12/86/86/1236128686.db2.gz DXSBDDDOFSTIFX-UHFFFAOYSA-N 0 0 331.448 2.307 10 10 EECERN CN(Cc1cn(CC2CC2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000827337872 1247925488 /nfs/dbraw/zinc/92/54/88/1247925488.db2.gz YUAPFNMMSQYSNP-UHFFFAOYSA-N 0 0 341.459 2.157 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cscn1 ZINC000826947012 1248185299 /nfs/dbraw/zinc/18/52/99/1248185299.db2.gz RBAIFLGDZOEOKD-UHFFFAOYSA-N 0 0 325.459 2.420 10 10 EECERN COC[C@@]1(C(=O)OC)CCCN1Cc1cc(Cl)cc(OC)c1O ZINC000827488005 1248185942 /nfs/dbraw/zinc/18/59/42/1248185942.db2.gz BURNCHVAXZILIO-MRXNPFEDSA-N 0 0 343.807 2.208 10 10 EECERN COC(=O)CCN1CCC[C@@H](Sc2ncc(Cl)s2)C1=O ZINC000850001472 1276981251 /nfs/dbraw/zinc/98/12/51/1276981251.db2.gz HPLAYAKPZBJQPI-MRVPVSSYSA-N 0 0 334.850 2.443 10 10 EECERN COC(=O)CN(CCO[C@@H]1CC1(F)F)Cc1cc(Cl)ccc1O ZINC000851840426 1291876897 /nfs/dbraw/zinc/87/68/97/1291876897.db2.gz GQOGFIWHIGUUTC-CYBMUJFWSA-N 0 0 349.761 2.445 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](OC)C3(C)C)C2)cc1 ZINC000852179397 1292028555 /nfs/dbraw/zinc/02/85/55/1292028555.db2.gz FTPWJQFENXIBCC-JQFCIGGWSA-N 0 0 347.459 2.387 10 10 EECERN CCC[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000852361618 1292099478 /nfs/dbraw/zinc/09/94/78/1292099478.db2.gz FSSZDHOGLAOQPW-PBHICJAKSA-N 0 0 335.448 2.388 10 10 EECERN CCO[C@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852377279 1292101251 /nfs/dbraw/zinc/10/12/51/1292101251.db2.gz CAQTWELPYQOZIZ-GRDNDAEWSA-N 0 0 333.432 2.141 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C(C)C)C3)C2)cc1 ZINC000852454680 1292118634 /nfs/dbraw/zinc/11/86/34/1292118634.db2.gz QMYOKQVGPUMOHH-CRAIPNDOSA-N 0 0 347.459 2.340 10 10 EECERN COc1ccc(N2CCN(CN3CC[C@@H](C(C)C)C3=O)CC2)cc1F ZINC000853501912 1292404803 /nfs/dbraw/zinc/40/48/03/1292404803.db2.gz MXRAJMPRNWMORX-INIZCTEOSA-N 0 0 349.450 2.418 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC3CCC(O)CC3)C2)cc1 ZINC000854295989 1292707426 /nfs/dbraw/zinc/70/74/26/1292707426.db2.gz FYBYRPDYXVDULT-CKDBGZEDSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]([C@H](C)O)C3)C2)cc1 ZINC000854299191 1292710177 /nfs/dbraw/zinc/71/01/77/1292710177.db2.gz FXRKIAFAMRNSPR-XHSDSOJGSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)C2)cc1 ZINC000855225768 1293118392 /nfs/dbraw/zinc/11/83/92/1293118392.db2.gz QDHCPCMHFWBMBL-SMDDNHRTSA-N 0 0 346.349 2.358 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(N)nc(Cl)c3)C2)cc1 ZINC000855229350 1293120809 /nfs/dbraw/zinc/12/08/09/1293120809.db2.gz JAMJWXSBUQDECN-LBPRGKRZSA-N 0 0 346.818 2.335 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](O)c3ccccc3)C2)cc1 ZINC000855229941 1293121133 /nfs/dbraw/zinc/12/11/33/1293121133.db2.gz CYHVGEZJWOCQEM-YJBOKZPZSA-N 0 0 326.396 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CSCCS3)C2)cc1 ZINC000855232755 1293121927 /nfs/dbraw/zinc/12/19/27/1293121927.db2.gz XLOPQNQZRYACGN-IUODEOHRSA-N 0 0 338.498 2.239 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)C3CCOCC3)C2)cc1 ZINC000855233725 1293122921 /nfs/dbraw/zinc/12/29/21/1293122921.db2.gz LICAYEZNZRJZQL-GOEBONIOSA-N 0 0 332.444 2.453 10 10 EECERN COC(=O)CC(C)(C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233497 1293123037 /nfs/dbraw/zinc/12/30/37/1293123037.db2.gz HSANOARBSQAMRC-CQSZACIVSA-N 0 0 348.443 2.370 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)nnc3C)C2)cc1 ZINC000855233900 1293123223 /nfs/dbraw/zinc/12/32/23/1293123223.db2.gz OUCUTJODAQRTMC-AWEZNQCLSA-N 0 0 326.400 2.111 10 10 EECERN CC(=O)C(=O)COC(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000856974416 1293684899 /nfs/dbraw/zinc/68/48/99/1293684899.db2.gz WAVGRVNRCLQRBH-CYBMUJFWSA-N 0 0 341.404 2.115 10 10 EECERN COc1cccc(CN[C@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000857062148 1293711071 /nfs/dbraw/zinc/71/10/71/1293711071.db2.gz YPTPEFROGJQRKX-HNNXBMFYSA-N 0 0 333.409 2.160 10 10 EECERN CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000858509709 1294138936 /nfs/dbraw/zinc/13/89/36/1294138936.db2.gz RVZSLTMQLIZWRS-SMDDNHRTSA-N 0 0 333.384 2.481 10 10 EECERN COC(=O)C1=CC[C@@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000858739695 1294208350 /nfs/dbraw/zinc/20/83/50/1294208350.db2.gz OQWKYIUKULITIA-CMPLNLGQSA-N 0 0 334.372 2.023 10 10 EECERN COc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnc1OC ZINC000861414274 1295393093 /nfs/dbraw/zinc/39/30/93/1295393093.db2.gz SILDRMQVJCTRIS-JTQLQIEISA-N 0 0 347.371 2.263 10 10 EECERN COC(=O)[C@@H](CF)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000861728401 1295520057 /nfs/dbraw/zinc/52/00/57/1295520057.db2.gz GVXOQIZAKJERTH-MRXNPFEDSA-N 0 0 346.358 2.148 10 10 EECERN Cc1ncc(NC(=O)NCCc2ccc(O)c(O)c2)c(C2CC2)n1 ZINC000799229975 1305195624 /nfs/dbraw/zinc/19/56/24/1305195624.db2.gz GSVGQVSMJFFZPT-UHFFFAOYSA-N 0 0 328.372 2.438 10 10 EECERN O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)c1c(F)ccc(O)c1O ZINC001161103596 1320384865 /nfs/dbraw/zinc/38/48/65/1320384865.db2.gz VFEBSGHFLVMENX-LBPRGKRZSA-N 0 0 343.713 2.493 10 10 EECERN COC(=O)[C@H]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840488312 1315370438 /nfs/dbraw/zinc/37/04/38/1315370438.db2.gz LEGYBYKZIQYRIU-ZBFHGGJFSA-N 0 0 347.459 2.197 10 10 EECERN Cc1cc(CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)[nH]n1 ZINC001142504093 1315641200 /nfs/dbraw/zinc/64/12/00/1315641200.db2.gz PQCZHOUKPOVBIP-OAHLLOKOSA-N 0 0 342.443 2.365 10 10 EECERN COc1cc(O)c(CN2CCc3cc(Cl)nnc3C2)cc1OC ZINC000842620868 1315735161 /nfs/dbraw/zinc/73/51/61/1315735161.db2.gz SSPDDPOORVKAML-UHFFFAOYSA-N 0 0 335.791 2.411 10 10 EECERN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)C2)cc1 ZINC000842876011 1315789536 /nfs/dbraw/zinc/78/95/36/1315789536.db2.gz QESXEHDNQPHLDS-RUGDWHBFSA-N 0 0 331.412 2.490 10 10 EECERN C/C=C\C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OCC ZINC001153950410 1316922681 /nfs/dbraw/zinc/92/26/81/1316922681.db2.gz MCPQJLDQFPTFBB-YCUGXMKZSA-N 0 0 332.360 2.477 10 10 EECERN O=C(Cn1c(=O)cnc2ccccc21)NCc1cccc(Cl)c1O ZINC001159033717 1319572405 /nfs/dbraw/zinc/57/24/05/1319572405.db2.gz MQXSWYJGIMBSIT-UHFFFAOYSA-N 0 0 343.770 2.072 10 10 EECERN COC(=O)Cc1occc1C(=O)NCc1ccc2cccnc2c1O ZINC001162612864 1320912271 /nfs/dbraw/zinc/91/22/71/1320912271.db2.gz RJEBURVNDGVZAB-UHFFFAOYSA-N 0 0 340.335 2.179 10 10 EECERN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1ccc(O)c(O)c1 ZINC001294912712 1329763232 /nfs/dbraw/zinc/76/32/32/1329763232.db2.gz IBNBIMAXPNNOMI-UHFFFAOYSA-N 0 0 334.303 2.047 10 10 EECERN C/C=C(/C)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295457929 1329813021 /nfs/dbraw/zinc/81/30/21/1329813021.db2.gz KSRILZCXBFQEHK-RHOFJVIFSA-N 0 0 331.376 2.050 10 10 EECERN C[C@@H]1CN(CCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)O1 ZINC001297408260 1329969719 /nfs/dbraw/zinc/96/97/19/1329969719.db2.gz YERUQFVXJOHGMZ-BETUJISGSA-N 0 0 347.419 2.030 10 10 EECERN Cc1noc(-c2ccc(NC(=O)c3ccc(C)c(O)c3O)cn2)n1 ZINC001298112487 1330036244 /nfs/dbraw/zinc/03/62/44/1330036244.db2.gz ZIZRUYHISDWNJZ-UHFFFAOYSA-N 0 0 326.312 2.412 10 10 EECERN NC(=O)c1ccccc1CCC(=O)NCc1cccc(Cl)c1O ZINC001305084317 1331408866 /nfs/dbraw/zinc/40/88/66/1331408866.db2.gz HTSJPDNYPBJTAC-UHFFFAOYSA-N 0 0 332.787 2.394 10 10 EECERN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1CC(=O)N(C)C ZINC001305381954 1331425401 /nfs/dbraw/zinc/42/54/01/1331425401.db2.gz HDEDILLHZQHETM-ZDUSSCGKSA-N 0 0 345.447 2.222 10 10 EECERN CC(C)[C@@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC001323464329 1333469034 /nfs/dbraw/zinc/46/90/34/1333469034.db2.gz CQGKPTBTWWJUID-GFCCVEGCSA-N 0 0 341.502 2.246 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC001326499398 1334105426 /nfs/dbraw/zinc/10/54/26/1334105426.db2.gz ZUEDSHFAYJVANF-HOTGVXAUSA-N 0 0 342.798 2.172 10 10 EECERN CCCO[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001332018887 1335706998 /nfs/dbraw/zinc/70/69/98/1335706998.db2.gz KPNWNXAVNAVHTI-HNNXBMFYSA-N 0 0 346.427 2.042 10 10 EECERN CCC1(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)COC1 ZINC001333459663 1336052060 /nfs/dbraw/zinc/05/20/60/1336052060.db2.gz ZAPBBAVTHCHDGA-UHFFFAOYSA-N 0 0 336.407 2.095 10 10 EECERN CN(C)c1ccc(/C=C/C[NH2+][C@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1 ZINC001350652230 1337732660 /nfs/dbraw/zinc/73/26/60/1337732660.db2.gz HHLXQQQEVMOQIQ-QDLOVBKTSA-N 0 0 348.834 2.359 10 10 EECERN Cc1ccc(O)c(CNS(=O)(=O)c2ccc3c(c2)N(C)CC3)c1 ZINC001351396834 1337814592 /nfs/dbraw/zinc/81/45/92/1337814592.db2.gz ZJBVMWKNGWRLBU-UHFFFAOYSA-N 0 0 332.425 2.171 10 10 EECERN C[C@@H](Cc1c[nH]cn1)C(=O)NCc1cc(Br)ccc1O ZINC000848069138 1338482511 /nfs/dbraw/zinc/48/25/11/1338482511.db2.gz QXANLQQLIQLVLH-VIFPVBQESA-N 0 0 338.205 2.373 10 10 EECERN [NH3+]C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000848598148 1338726843 /nfs/dbraw/zinc/72/68/43/1338726843.db2.gz HQTQPTJOWWJUSA-MRVPVSSYSA-N 0 0 346.136 2.388 10 10 EECERN CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(C2CC2)no1 ZINC001611418330 1352300292 /nfs/dbraw/zinc/30/02/92/1352300292.db2.gz UZKXSFGCHORVFB-OAHLLOKOSA-N 0 0 331.372 2.414 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOCC3(CCOCC3)C2)cc1 ZINC001611483669 1352301346 /nfs/dbraw/zinc/30/13/46/1352301346.db2.gz FBPIBXZMLYPHEX-UHFFFAOYSA-N 0 0 346.387 2.118 10 10 EECERN COc1cc(OC)nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC001435953152 1342005189 /nfs/dbraw/zinc/00/51/89/1342005189.db2.gz DPRWJKFQFGEGEF-LLVKDONJSA-N 0 0 330.388 2.051 10 10 EECERN CC/C(C)=C\C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001584110331 1348721888 /nfs/dbraw/zinc/72/18/88/1348721888.db2.gz QAATUNQLUKXGSE-JWCCNMATSA-N 0 0 345.403 2.440 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001587455300 1348863030 /nfs/dbraw/zinc/86/30/30/1348863030.db2.gz BBMFGBMCQLACLR-OAHLLOKOSA-N 0 0 331.343 2.459 10 10 EECERN O=C(NCc1c(O)cccc1F)C1=NN(c2ccccc2)C(=O)CC1 ZINC001596913034 1349913644 /nfs/dbraw/zinc/91/36/44/1349913644.db2.gz SVTQXFBEGBZQKC-UHFFFAOYSA-N 0 0 341.342 2.331 10 10 EECERN CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001598412502 1349938811 /nfs/dbraw/zinc/93/88/11/1349938811.db2.gz HYBLXSYUDNXILR-CYBMUJFWSA-N 0 0 345.403 2.227 10 10 EECERN Cn1cc(-c2ncccc2C(=O)N2C[C@@H](CO)c3ccccc32)cn1 ZINC001628197561 1352524817 /nfs/dbraw/zinc/52/48/17/1352524817.db2.gz QWHBJJQXVUSGSW-AWEZNQCLSA-N 0 0 334.379 2.218 10 10 EECERN CNc1nnc(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)s1 ZINC001628950617 1352545810 /nfs/dbraw/zinc/54/58/10/1352545810.db2.gz IULYZZDVSOCFJU-UHFFFAOYSA-N 0 0 345.472 2.381 10 10 EECERN COc1cccc(CNC(=O)/C(=C\c2cccs2)NC(C)=O)c1O ZINC001631540522 1352586217 /nfs/dbraw/zinc/58/62/17/1352586217.db2.gz UIVMLJKSICIIRX-NTEUORMPSA-N 0 0 346.408 2.256 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@@H]12 ZINC001632268097 1352595260 /nfs/dbraw/zinc/59/52/60/1352595260.db2.gz KODCDKBIXVQWTK-ZNMIVQPWSA-N 0 0 347.411 2.221 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC001636657080 1352668109 /nfs/dbraw/zinc/66/81/09/1352668109.db2.gz CNYYPIGMZWNWEO-CYBMUJFWSA-N 0 0 337.441 2.201 10 10 EECERN COc1nsc(OC)c1C(=O)NCc1cc(Cl)ccc1O ZINC001639968306 1352703474 /nfs/dbraw/zinc/70/34/74/1352703474.db2.gz FZAKWQACDIELMO-UHFFFAOYSA-N 0 0 328.777 2.449 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(Cl)nc2[nH]c(=O)[nH]c21 ZINC001642559772 1352733773 /nfs/dbraw/zinc/73/37/73/1352733773.db2.gz WTQVYIQRWDSWFO-LURJTMIESA-N 0 0 335.751 2.166 10 10 EECERN C[C@H]1CCN(c2cc(C(=O)NCc3c(O)cccc3O)ccn2)C1 ZINC001645361024 1352777095 /nfs/dbraw/zinc/77/70/95/1352777095.db2.gz UCGXNXRLJLWOOH-LBPRGKRZSA-N 0 0 327.384 2.269 10 10 EECERN Cc1cc(F)ccc1-n1cc(C(=O)NCc2c(O)cccc2O)nn1 ZINC001645363076 1352777215 /nfs/dbraw/zinc/77/72/15/1352777215.db2.gz LVUDMLHHOSWAFQ-UHFFFAOYSA-N 0 0 342.330 2.056 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cc2c(cc1Cl)NC(=O)C2 ZINC001651222691 1354044793 /nfs/dbraw/zinc/04/47/93/1354044793.db2.gz MUJWXQAITPJRKX-UHFFFAOYSA-N 0 0 332.743 2.176 10 10 EECERN COc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2O)cc1 ZINC001652625582 1354097419 /nfs/dbraw/zinc/09/74/19/1354097419.db2.gz HTTYJAJKCPLGLB-UHFFFAOYSA-N 0 0 329.352 2.386 10 10 EECERN CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC001653384202 1354121756 /nfs/dbraw/zinc/12/17/56/1354121756.db2.gz XUESQNCOUKKFMF-XYPYZODXSA-N 0 0 336.388 2.131 10 10 EECERN O=C(NCc1ccccc1O)N[C@H]1CCc2ccccc2NC1=O ZINC001686924527 1358512742 /nfs/dbraw/zinc/51/27/42/1358512742.db2.gz FCOVEESGIOEXNZ-HNNXBMFYSA-N 0 0 325.368 2.145 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N(C[C@@H]1CCC(=O)N1)C(C)C ZINC000840300369 782513411 /nfs/dbraw/zinc/51/34/11/782513411.db2.gz DJGYYPJNPBDYIL-INIZCTEOSA-N 0 0 346.475 2.260 10 10 EECERN CCc1nc[nH]c1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000906949535 784291148 /nfs/dbraw/zinc/29/11/48/784291148.db2.gz HXMPJMHDXQSZQR-UHFFFAOYSA-N 0 0 332.379 2.082 10 10 EECERN CN(C)c1ccc(CN2CC3(C2)CNC(=O)O3)c(C(F)(F)F)c1 ZINC000817417073 784767905 /nfs/dbraw/zinc/76/79/05/784767905.db2.gz XFXRYOFBPHQIPN-UHFFFAOYSA-N 0 0 329.322 2.066 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccnn1C ZINC000817521081 784814641 /nfs/dbraw/zinc/81/46/41/784814641.db2.gz QCFSEMZODARODR-CQSZACIVSA-N 0 0 344.484 2.393 10 10 EECERN CNC(=O)[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000817638402 784864544 /nfs/dbraw/zinc/86/45/44/784864544.db2.gz CCNJJYRDTDKRDW-CYBMUJFWSA-N 0 0 331.441 2.364 10 10 EECERN COCc1nc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)co1 ZINC000819587827 785598135 /nfs/dbraw/zinc/59/81/35/785598135.db2.gz HNQZVCHFKWWRRV-ZDUSSCGKSA-N 0 0 345.399 2.086 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)CCc2cn(C)nn2)cc1 ZINC000819974172 785727631 /nfs/dbraw/zinc/72/76/31/785727631.db2.gz IYSCQDMNINOKLT-UHFFFAOYSA-N 0 0 329.448 2.253 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)cc1F ZINC000820721721 786437807 /nfs/dbraw/zinc/43/78/07/786437807.db2.gz WKUMKKVXQJSHFY-ZIAGYGMSSA-N 0 0 344.390 2.010 10 10 EECERN CCc1cc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n(C)n1 ZINC000821113128 786604125 /nfs/dbraw/zinc/60/41/25/786604125.db2.gz HZFLIWGOXSAHRJ-CQSZACIVSA-N 0 0 343.431 2.392 10 10 EECERN Cc1csc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000785432872 788266317 /nfs/dbraw/zinc/26/63/17/788266317.db2.gz JMKXNQQOACSPPW-LBPRGKRZSA-N 0 0 346.456 2.011 10 10 EECERN Cc1cc(CC(=O)N[C@H]2CCCNC2=O)c(C)n1-c1ccccc1 ZINC000824782051 788317852 /nfs/dbraw/zinc/31/78/52/788317852.db2.gz CVALJRJILCOPEX-KRWDZBQOSA-N 0 0 325.412 2.031 10 10 EECERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCCCSc1nccs1 ZINC000074136557 788667817 /nfs/dbraw/zinc/66/78/17/788667817.db2.gz CIXSPVBIWVWCAB-LBPRGKRZSA-N 0 0 341.502 2.389 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1CCOC2(CCOCC2)C1 ZINC000921537230 789120577 /nfs/dbraw/zinc/12/05/77/789120577.db2.gz OBFFONFCHZGUEL-LBPRGKRZSA-N 0 0 338.379 2.059 10 10 EECERN C[C@H](NC(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21)c1ccc(N(C)C)cc1 ZINC000845123292 789614201 /nfs/dbraw/zinc/61/42/01/789614201.db2.gz AQJFFAVUTZSTLZ-IAOVAPTHSA-N 0 0 347.459 2.401 10 10 EECERN O=S(=O)(CCC[C@H]1CCOC1)NCc1cc(Cl)ccc1O ZINC000845997273 790029288 /nfs/dbraw/zinc/02/92/88/790029288.db2.gz ZTDYWEFVODJAIY-NSHDSACASA-N 0 0 333.837 2.282 10 10 EECERN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(N(C)C)cc1 ZINC000785715322 806573003 /nfs/dbraw/zinc/57/30/03/806573003.db2.gz HUPQGTCFJSNNIQ-ZDUSSCGKSA-N 0 0 345.468 2.351 10 10 EECERN CO[C@]1(C(F)(F)F)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000916146316 797528024 /nfs/dbraw/zinc/52/80/24/797528024.db2.gz UNWLNTPERKTOND-PKXJPQMGSA-N 0 0 331.290 2.291 10 10 EECERN Cc1cc(C(=O)N[C@@H]2CCc3cncn3C2)c(C)n1-c1ccccn1 ZINC000804334201 803919960 /nfs/dbraw/zinc/91/99/60/803919960.db2.gz BDRDPMLDCBQEIH-OAHLLOKOSA-N 0 0 335.411 2.430 10 10 EECERN CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000792793702 809999931 /nfs/dbraw/zinc/99/99/31/809999931.db2.gz TYDGKGSEQHNUML-PKOBYXMFSA-N 0 0 347.459 2.232 10 10 EECERN C[C@@H](NC(=O)NC[C@H](CO)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000807139983 812110726 /nfs/dbraw/zinc/11/07/26/812110726.db2.gz ISWKJOJTDYVTDU-RHSMWYFYSA-N 0 0 342.443 2.284 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NCC1=CCCOC1 ZINC000807593996 812288599 /nfs/dbraw/zinc/28/85/99/812288599.db2.gz ZGCMPPRYLXVNOV-UHFFFAOYSA-N 0 0 341.205 2.301 10 10 EECERN CC(=O)C(=O)COC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 ZINC000808511023 812682793 /nfs/dbraw/zinc/68/27/93/812682793.db2.gz SFQCKSGJCNUDHS-UHFFFAOYSA-N 0 0 349.774 2.359 10 10 EECERN COc1ccc(N2CCN(C(=O)c3nccn3C(C)C)CC2)cc1 ZINC001566326473 1125595225 /nfs/dbraw/zinc/59/52/25/1125595225.db2.gz NCOYSWWHZXUJAE-UHFFFAOYSA-N 0 0 328.416 2.435 10 10 EECERN COc1cccc(CNC(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)c1O ZINC001445970095 1091924000 /nfs/dbraw/zinc/92/40/00/1091924000.db2.gz PGRJGPZCMWPOKP-UHFFFAOYSA-N 0 0 342.273 2.450 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(Cn2cccn2)cc1 ZINC001440333015 1093475738 /nfs/dbraw/zinc/47/57/38/1093475738.db2.gz CNYJVULKJCDYMX-UHFFFAOYSA-N 0 0 337.379 2.202 10 10 EECERN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1C(=O)OC(C)(C)C ZINC001452244278 1098344437 /nfs/dbraw/zinc/34/44/37/1098344437.db2.gz NCRUGWGDDXWKKT-OCCSQVGLSA-N 0 0 349.427 2.467 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1c[nH]cc1C ZINC001446805819 1101454275 /nfs/dbraw/zinc/45/42/75/1101454275.db2.gz PNYRRBUVLMVYAO-UHFFFAOYSA-N 0 0 336.775 2.498 10 10 EECERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc([S@@](C)=O)cc1 ZINC001447301039 1102403759 /nfs/dbraw/zinc/40/37/59/1102403759.db2.gz IEODNKVMNKYXAG-BSNNYGBQSA-N 0 0 333.409 2.255 10 10 EECERN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1O ZINC001447696463 1103125389 /nfs/dbraw/zinc/12/53/89/1103125389.db2.gz GJQWKOHRCRLEOO-XVNBXDOJSA-N 0 0 329.308 2.242 10 10 EECERN CC[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H]1C ZINC001448027051 1103829689 /nfs/dbraw/zinc/82/96/89/1103829689.db2.gz SRZQDZUABRVAML-GHMZBOCLSA-N 0 0 326.418 2.024 10 10 EECERN O=C(/C=C\c1cncc(O)c1)N1C[C@H](CO)Cc2cccc(F)c21 ZINC001452683894 1105641429 /nfs/dbraw/zinc/64/14/29/1105641429.db2.gz FCBLQXOWZYELAE-DSYXLKISSA-N 0 0 328.343 2.137 10 10 EECERN COc1ccc(CN(CCCO)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001456925876 1109369164 /nfs/dbraw/zinc/36/91/64/1109369164.db2.gz RMEMRLUMFDXCNO-UHFFFAOYSA-N 0 0 345.395 2.060 10 10 EECERN COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1cc(C)cc(C)c1 ZINC001467361990 1110454633 /nfs/dbraw/zinc/45/46/33/1110454633.db2.gz JWYXWZNNFZSKQM-OAHLLOKOSA-N 0 0 329.352 2.359 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)c1ncon1 ZINC001469605208 1110493879 /nfs/dbraw/zinc/49/38/79/1110493879.db2.gz LZWAFDBAENYDHR-CQSZACIVSA-N 0 0 339.351 2.124 10 10 EECERN Cc1cc(C(=O)N2CC(CO)(CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001471785319 1110530451 /nfs/dbraw/zinc/53/04/51/1110530451.db2.gz UFVPXPXKYWNMCY-UHFFFAOYSA-N 0 0 342.439 2.138 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cccnc1N1CCCCC1 ZINC001472064178 1110540753 /nfs/dbraw/zinc/54/07/53/1110540753.db2.gz UPEDVDAWSWWGPL-UHFFFAOYSA-N 0 0 327.384 2.413 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC2(C1)OCCO2 ZINC001478319473 1110653132 /nfs/dbraw/zinc/65/31/32/1110653132.db2.gz TVLXWUOHNUWIRQ-LBPRGKRZSA-N 0 0 326.780 2.140 10 10 EECERN CCCCC(=O)NC[C@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001505615900 1114087324 /nfs/dbraw/zinc/08/73/24/1114087324.db2.gz WOAMHHPTMMJLTK-CQSZACIVSA-N 0 0 345.403 2.370 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1cc(C2CC2)nn1 ZINC001525107855 1120268006 /nfs/dbraw/zinc/26/80/06/1120268006.db2.gz XGFWXGYKHAFCDS-UHFFFAOYSA-N 0 0 339.443 2.414 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc(Cn3ccnn3)cc2)cc1 ZINC001531320567 1122364989 /nfs/dbraw/zinc/36/49/89/1122364989.db2.gz HJPTUURUNNBRFO-UHFFFAOYSA-N 0 0 335.411 2.322 10 10 EECERN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001542348937 1124112583 /nfs/dbraw/zinc/11/25/83/1124112583.db2.gz RMBQWOSAMYOEIS-DZGCQCFKSA-N 0 0 348.443 2.184 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC001545540818 1124194259 /nfs/dbraw/zinc/19/42/59/1124194259.db2.gz GKEJRTRALJKVMV-GFCCVEGCSA-N 0 0 347.802 2.084 10 10 EECERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cccc(O)c1O ZINC000193132814 237372049 /nfs/dbraw/zinc/37/20/49/237372049.db2.gz JEKJWIMLAYKSAF-SNVBAGLBSA-N 0 0 333.775 2.155 10 10 EECERN COCCN1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000191701758 533342738 /nfs/dbraw/zinc/34/27/38/533342738.db2.gz ZRXGZDFBHKBPAB-UHFFFAOYSA-N 0 0 345.487 2.358 10 10 EECERN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]1C ZINC000297258029 465250018 /nfs/dbraw/zinc/25/00/18/465250018.db2.gz DYVASPLQOZOYLN-CHWSQXEVSA-N 0 0 335.423 2.337 10 10 EECERN C[C@@H]1[C@@H](C)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000297258035 465250050 /nfs/dbraw/zinc/25/00/50/465250050.db2.gz DYVASPLQOZOYLN-QWHCGFSZSA-N 0 0 335.423 2.337 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1[O-] ZINC000119498138 462905911 /nfs/dbraw/zinc/90/59/11/462905911.db2.gz ZAVOEEVZAQBZIJ-LBPRGKRZSA-N 0 0 337.767 2.382 10 10 EECERN CCOc1ccc(O)c(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1 ZINC000119845997 462934517 /nfs/dbraw/zinc/93/45/17/462934517.db2.gz YQZJVLGDUDCXJZ-QGZVFWFLSA-N 0 0 326.396 2.203 10 10 EECERN CN1CCCc2cc(CNC(=O)NC[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000077800567 463051691 /nfs/dbraw/zinc/05/16/91/463051691.db2.gz MBSNMDRFBCASAF-WMZOPIPTSA-N 0 0 331.460 2.419 10 10 EECERN Cc1ccc(N2C[C@H](C(=O)NCc3ccc(O)c(O)c3)CC2=O)cc1 ZINC000159007807 463262774 /nfs/dbraw/zinc/26/27/74/463262774.db2.gz XCHBTLZWDKVNAM-CQSZACIVSA-N 0 0 340.379 2.076 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1F ZINC000071889212 463457698 /nfs/dbraw/zinc/45/76/98/463457698.db2.gz CACLWKWHTADSBR-UHFFFAOYSA-N 0 0 344.452 2.270 10 10 EECERN CC(=O)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC000268630808 463786015 /nfs/dbraw/zinc/78/60/15/463786015.db2.gz BGUAPCKSPULJLL-HNNXBMFYSA-N 0 0 344.459 2.049 10 10 EECERN COc1cccc(CNc2ccc(C(=O)NC3CCCC3)nn2)c1O ZINC000269267798 463935603 /nfs/dbraw/zinc/93/56/03/463935603.db2.gz CJAOWKMNLDZOJA-UHFFFAOYSA-N 0 0 342.399 2.475 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC(C)(C)OC ZINC000281203264 464370239 /nfs/dbraw/zinc/37/02/39/464370239.db2.gz PKTHHRCGHBHJKV-UHFFFAOYSA-N 0 0 328.478 2.329 10 10 EECERN CO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000294626510 464557606 /nfs/dbraw/zinc/55/76/06/464557606.db2.gz WVPJMEDESLYFAI-AEFFLSMTSA-N 0 0 332.444 2.345 10 10 EECERN COc1cccc([C@@H]2CN(C(=O)c3c(F)ccc(O)c3O)CCO2)c1 ZINC000294923721 464650823 /nfs/dbraw/zinc/65/08/23/464650823.db2.gz LAGBPTBYOZNJGU-HNNXBMFYSA-N 0 0 347.342 2.459 10 10 EECERN Cc1ccc(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)c(O)c1O ZINC000182885579 464749237 /nfs/dbraw/zinc/74/92/37/464749237.db2.gz JKYRFTORGKYYJH-UHFFFAOYSA-N 0 0 343.305 2.431 10 10 EECERN CCOC(=O)c1csc(CCNC(=O)NCc2ccccc2O)n1 ZINC000276037813 464795802 /nfs/dbraw/zinc/79/58/02/464795802.db2.gz FRAACMJFKSLOLA-UHFFFAOYSA-N 0 0 349.412 2.067 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000184333569 464967061 /nfs/dbraw/zinc/96/70/61/464967061.db2.gz LCEPWEIKNJZKPS-CZUORRHYSA-N 0 0 326.462 2.082 10 10 EECERN COc1cc(OC)c(CNC(=O)NCc2ccccc2O)c(OC)c1 ZINC000299516162 465782907 /nfs/dbraw/zinc/78/29/07/465782907.db2.gz PFZMHHWKADTZHN-UHFFFAOYSA-N 0 0 346.383 2.417 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Cn2ccc(C(F)F)n2)c1 ZINC000528859057 467769050 /nfs/dbraw/zinc/76/90/50/467769050.db2.gz GGAANABOMKYMEF-SECBINFHSA-N 0 0 325.315 2.412 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000611650493 469298038 /nfs/dbraw/zinc/29/80/38/469298038.db2.gz OTDGHLUSHKWJGI-LBPRGKRZSA-N 0 0 326.400 2.006 10 10 EECERN COC(=O)COc1ccc(N(C[C@H]2CCCO2)C[C@H]2CCCO2)cc1 ZINC000298515093 523222712 /nfs/dbraw/zinc/22/27/12/523222712.db2.gz UIFCYNROMFOHTE-QZTJIDSGSA-N 0 0 349.427 2.403 10 10 EECERN C[C@H](NC(=O)N1CCN2C(=O)OCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000773611670 577354594 /nfs/dbraw/zinc/35/45/94/577354594.db2.gz QVKPIYXAYUPKBO-BBRMVZONSA-N 0 0 346.431 2.050 10 10 EECERN CC(C)C(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773627572 577355740 /nfs/dbraw/zinc/35/57/40/577355740.db2.gz PALSKFQSTFQEKZ-HNNXBMFYSA-N 0 0 346.475 2.323 10 10 EECERN CCOC(=O)c1ccc(C(=O)COC(=O)c2cccc(O)c2O)cc1 ZINC000758580197 577627677 /nfs/dbraw/zinc/62/76/77/577627677.db2.gz IPXNNPWTMRGMFJ-UHFFFAOYSA-N 0 0 344.319 2.314 10 10 EECERN COCc1nnc(NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000763336319 577719472 /nfs/dbraw/zinc/71/94/72/577719472.db2.gz GSVAQCVAJFNJEP-UHFFFAOYSA-N 0 0 338.408 2.272 10 10 EECERN CCn1cncc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000751242925 577749720 /nfs/dbraw/zinc/74/97/20/577749720.db2.gz LBEHSDDAMIAGGJ-UHFFFAOYSA-N 0 0 348.472 2.322 10 10 EECERN C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756481570 577844850 /nfs/dbraw/zinc/84/48/50/577844850.db2.gz CIGPOYSFUVKWBG-GFCCVEGCSA-N 0 0 329.356 2.381 10 10 EECERN Cn1cc(/C=C/C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804739691 675612235 /nfs/dbraw/zinc/61/22/35/675612235.db2.gz OSLKVIFJYALZEG-GORDUTHDSA-N 0 0 336.189 2.218 10 10 EECERN O=C(NCc1cc(Br)ccc1O)C1CCC(O)CC1 ZINC000804740857 675612312 /nfs/dbraw/zinc/61/23/12/675612312.db2.gz NFCDXKAGVKNFGK-UHFFFAOYSA-N 0 0 328.206 2.322 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CN(CC(F)F)C1 ZINC000840556395 679135198 /nfs/dbraw/zinc/13/51/98/679135198.db2.gz VOFUYMJOYUHVBW-ZDUSSCGKSA-N 0 0 339.430 2.305 10 10 EECERN O=C(NCC[C@@H](O)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000896827669 685305708 /nfs/dbraw/zinc/30/57/08/685305708.db2.gz UKQLCFQWCOIARS-LLVKDONJSA-N 0 0 335.303 2.356 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C)C1=O ZINC000294400081 683300532 /nfs/dbraw/zinc/30/05/32/683300532.db2.gz JDTZYYINGXIOIQ-QGZVFWFLSA-N 0 0 331.460 2.358 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000914388902 683541907 /nfs/dbraw/zinc/54/19/07/683541907.db2.gz IMKVNDACXKUYCK-OMDKTOEGSA-N 0 0 347.411 2.203 10 10 EECERN COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000899673248 693829382 /nfs/dbraw/zinc/82/93/82/693829382.db2.gz LTZPTRQAGIGKBO-UKRRQHHQSA-N 0 0 327.384 2.028 10 10 EECERN CN1C(=O)C(=Cc2ncc(-c3ccccc3)s2)C(=O)N(C)C1=O ZINC000092198092 690325151 /nfs/dbraw/zinc/32/51/51/690325151.db2.gz NMZMLVXCEAEQKO-UHFFFAOYSA-N 0 0 327.365 2.244 10 10 EECERN C[C@H]1c2nncn2CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897549965 691585122 /nfs/dbraw/zinc/58/51/22/691585122.db2.gz WOIDAMKWZSUUJI-QMMMGPOBSA-N 0 0 330.369 2.121 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1cncn1C ZINC001687377173 1181124173 /nfs/dbraw/zinc/12/41/73/1181124173.db2.gz JPBUFEPUWIBERE-UHFFFAOYSA-N 0 0 327.432 2.362 10 10 EECERN COC(=O)c1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000905448294 1189720585 /nfs/dbraw/zinc/72/05/85/1189720585.db2.gz MHGJFJLUGSADGK-UHFFFAOYSA-N 0 0 333.413 2.268 10 10 EECERN C/C=C(\C)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486905978 1197067946 /nfs/dbraw/zinc/06/79/46/1197067946.db2.gz TUGOVSPQJJMGRB-YTNHSKMGSA-N 0 0 345.403 2.392 10 10 EECERN CN(Cc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(N)cc1 ZINC000863558304 1197807384 /nfs/dbraw/zinc/80/73/84/1197807384.db2.gz DRCYOHMGOYDQGQ-UHFFFAOYSA-N 0 0 331.441 2.346 10 10 EECERN CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000865031148 1198054901 /nfs/dbraw/zinc/05/49/01/1198054901.db2.gz HQUWNCDYOIXEKO-SFHVURJKSA-N 0 0 329.444 2.304 10 10 EECERN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000825709740 1198769553 /nfs/dbraw/zinc/76/95/53/1198769553.db2.gz AMSTVAGOZSPJGZ-FBIMIBRVSA-N 0 0 328.206 2.442 10 10 EECERN COCC[C@H](COC)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000812574535 1200772485 /nfs/dbraw/zinc/77/24/85/1200772485.db2.gz URDRXWVKBYXUQR-MRXNPFEDSA-N 0 0 349.475 2.478 10 10 EECERN Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1C1CCOCC1 ZINC000871202677 1201098087 /nfs/dbraw/zinc/09/80/87/1201098087.db2.gz DQKXEXXOSGPXQQ-UHFFFAOYSA-N 0 0 327.384 2.405 10 10 EECERN CN(C)c1ccc(CNC(=O)NCc2nn(C)cc2C(F)F)cc1 ZINC000866147982 1201446720 /nfs/dbraw/zinc/44/67/20/1201446720.db2.gz LVGNLIKODSNLQM-UHFFFAOYSA-N 0 0 337.374 2.423 10 10 EECERN COC1(CS(=O)(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC000866673858 1201576200 /nfs/dbraw/zinc/57/62/00/1201576200.db2.gz KDCZLCLKTJWENR-UHFFFAOYSA-N 0 0 338.473 2.058 10 10 EECERN COc1cccc(CNC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000866764416 1201600460 /nfs/dbraw/zinc/60/04/60/1201600460.db2.gz UMPDRYWSBSSLBE-ZMZPIMSZSA-N 0 0 335.400 2.385 10 10 EECERN COc1cc(OC)cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000867834362 1201690353 /nfs/dbraw/zinc/69/03/53/1201690353.db2.gz MYNQNJJTAXVULD-NSHDSACASA-N 0 0 337.397 2.449 10 10 EECERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](C)c3ccccc3O)cc12 ZINC000867834340 1201690369 /nfs/dbraw/zinc/69/03/69/1201690369.db2.gz MIUIDPYSNKHSNN-NSHDSACASA-N 0 0 346.412 2.022 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2nccn2C)C1)c1ccccc1O ZINC000868689741 1201859918 /nfs/dbraw/zinc/85/99/18/1201859918.db2.gz SBYGPTUGGPHZIF-ZENOOKHLSA-N 0 0 344.415 2.406 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@@H]3[C@H]4C[C@H]5CO[C@H]3[C@H]5C4)ccc21 ZINC000868902828 1201902901 /nfs/dbraw/zinc/90/29/01/1201902901.db2.gz HKAOWKYCIWXUJG-FYAJOAKPSA-N 0 0 341.455 2.292 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000868966737 1201914166 /nfs/dbraw/zinc/91/41/66/1201914166.db2.gz XMRIJUZFGFDNOK-VNHYZAJKSA-N 0 0 335.400 2.097 10 10 EECERN Cc1cc(C(=O)NCC[C@@H](C)[S@](C)=O)c(C)n1-c1ccccn1 ZINC000134764050 1202324000 /nfs/dbraw/zinc/32/40/00/1202324000.db2.gz CTPWVGNXNNUKTC-JCQPUDPBSA-N 0 0 333.457 2.376 10 10 EECERN Cc1ccc(C(=O)N[C@H](COC(N)=O)Cc2ccccc2)c(O)c1O ZINC001299384127 1205164954 /nfs/dbraw/zinc/16/49/54/1205164954.db2.gz HOZKIEYEAHUHTE-ZDUSSCGKSA-N 0 0 344.367 2.257 10 10 EECERN CC1(C)CC[C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)OC1 ZINC000925065732 1206066783 /nfs/dbraw/zinc/06/67/83/1206066783.db2.gz ZKBPDSUSGOMMRL-CQSZACIVSA-N 0 0 332.400 2.362 10 10 EECERN Nc1ccc(CNC(=O)[C@H]2CC[C@H](Nc3cnccn3)CC2)cc1 ZINC000927768493 1206300539 /nfs/dbraw/zinc/30/05/39/1206300539.db2.gz SAZSZSRCLQFJFA-KOMQPUFPSA-N 0 0 325.416 2.346 10 10 EECERN COC(=O)C(C)(C)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000779190505 1209268461 /nfs/dbraw/zinc/26/84/61/1209268461.db2.gz JQKTZKTYDPYGPZ-UHFFFAOYSA-N 0 0 326.824 2.115 10 10 EECERN COc1cc(C)cc(CN2CCC(C)(C)S(=O)(=O)CC2)c1O ZINC000193385483 1210822738 /nfs/dbraw/zinc/82/27/38/1210822738.db2.gz CYWWCFNCSWVTLK-UHFFFAOYSA-N 0 0 327.446 2.108 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000115280492 1227745795 /nfs/dbraw/zinc/74/57/95/1227745795.db2.gz YEIVTWPOFFCTDD-KRWDZBQOSA-N 0 0 331.460 2.324 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(OCC3CC3)cn2)c1 ZINC000802782062 1238220321 /nfs/dbraw/zinc/22/03/21/1238220321.db2.gz NACKLNMGGGWWFT-NSHDSACASA-N 0 0 343.383 2.471 10 10 EECERN C[C@H](Cn1ncc2ccccc21)C(=O)NCc1ccc(O)c(O)c1 ZINC000802784092 1238227489 /nfs/dbraw/zinc/22/74/89/1238227489.db2.gz IBZSGWAUMRHSPZ-GFCCVEGCSA-N 0 0 325.368 2.400 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCC[C@@H]1CCOC1 ZINC000827159584 1250280744 /nfs/dbraw/zinc/28/07/44/1250280744.db2.gz FJYGXUDCLBKJPD-OAHLLOKOSA-N 0 0 340.489 2.297 10 10 EECERN COc1ccc(N2CCN(C(=O)Cc3ccnc(F)c3)CC2)cc1 ZINC001137386984 1247891777 /nfs/dbraw/zinc/89/17/77/1247891777.db2.gz STZQGXWCQSXXFT-UHFFFAOYSA-N 0 0 329.375 2.121 10 10 EECERN CO[C@]1(CO)CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000826952898 1248223976 /nfs/dbraw/zinc/22/39/76/1248223976.db2.gz WOXMERKJBHAJOP-OAHLLOKOSA-N 0 0 344.249 2.436 10 10 EECERN Nc1ccc(CCNC(=O)N2CCOc3ccc(O)cc3C2)cc1 ZINC000851664781 1277709212 /nfs/dbraw/zinc/70/92/12/1277709212.db2.gz KPHFWSRQZWJQKV-UHFFFAOYSA-N 0 0 327.384 2.121 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](OC)C(C)C)C2)cc1 ZINC000852193868 1292035029 /nfs/dbraw/zinc/03/50/29/1292035029.db2.gz AUECLCFBOBQSBJ-WMLDXEAASA-N 0 0 335.448 2.244 10 10 EECERN CO[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000852261781 1292069629 /nfs/dbraw/zinc/06/96/29/1292069629.db2.gz VIIVTIHSEUJUAK-YSVLISHTSA-N 0 0 335.448 2.164 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C)[C@H](OC)C3)C2)cc1 ZINC000852451974 1292117850 /nfs/dbraw/zinc/11/78/50/1292117850.db2.gz RXIDBDCHGMNREK-RLFYNMQTSA-N 0 0 347.459 2.340 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@]3(C)CCCOC3)C2)cc1 ZINC000854298650 1292710341 /nfs/dbraw/zinc/71/03/41/1292710341.db2.gz HUVYLNCVLSDYBG-KDOFPFPSSA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC3(CO)CCCC3)C2)cc1 ZINC000854300110 1292711200 /nfs/dbraw/zinc/71/12/00/1292711200.db2.gz UXAJJLHJEOYPAQ-HNNXBMFYSA-N 0 0 347.459 2.126 10 10 EECERN CO[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1 ZINC000854949883 1292999029 /nfs/dbraw/zinc/99/90/29/1292999029.db2.gz YXMCAMQWBSYHDX-ZVZYQTTQSA-N 0 0 334.460 2.160 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(OC)ccn3)C2)cc1 ZINC000855224539 1293116509 /nfs/dbraw/zinc/11/65/09/1293116509.db2.gz LPJIKWGSJFEPKF-CYBMUJFWSA-N 0 0 327.384 2.108 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3snnc3C3CC3)C2)cc1 ZINC000855225243 1293117773 /nfs/dbraw/zinc/11/77/73/1293117773.db2.gz JDFHQBPXRBDERH-LBPRGKRZSA-N 0 0 344.440 2.433 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)C(=O)OC(C)(C)C)C2)cc1 ZINC000855225171 1293117917 /nfs/dbraw/zinc/11/79/17/1293117917.db2.gz OWDGPRFRRFMIFN-KGLIPLIRSA-N 0 0 348.443 2.368 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)nc(C)n3)C2)cc1 ZINC000855225903 1293118342 /nfs/dbraw/zinc/11/83/42/1293118342.db2.gz LUTZTTDBYUMXKQ-CQSZACIVSA-N 0 0 326.400 2.111 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCn3cc(Cl)cn3)C2)cc1 ZINC000855229376 1293120885 /nfs/dbraw/zinc/12/08/85/1293120885.db2.gz JKQIRRNEPGXVDU-CQSZACIVSA-N 0 0 348.834 2.330 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000859421111 1294432610 /nfs/dbraw/zinc/43/26/10/1294432610.db2.gz LSNWOLZWZSOXAR-SFHVURJKSA-N 0 0 337.423 2.204 10 10 EECERN COC[C@]1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1 ZINC000860198974 1294860844 /nfs/dbraw/zinc/86/08/44/1294860844.db2.gz INQKRZAXWAMHNV-INIZCTEOSA-N 0 0 327.808 2.486 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC2(CO)CC2)ccc1C ZINC000860388075 1294950524 /nfs/dbraw/zinc/95/05/24/1294950524.db2.gz KNKWLDOFWUREKH-UHFFFAOYSA-N 0 0 326.396 2.470 10 10 EECERN COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(Cl)ccc1O ZINC000862516201 1295865127 /nfs/dbraw/zinc/86/51/27/1295865127.db2.gz MMWFGXPOPPXWIR-FZMZJTMJSA-N 0 0 327.808 2.494 10 10 EECERN COc1ccc(Cl)cc1NC(=S)NNc1nnc(C)n1C ZINC000863206515 1296149174 /nfs/dbraw/zinc/14/91/74/1296149174.db2.gz TVJOFKQSEGRRHJ-UHFFFAOYSA-N 0 0 326.813 2.099 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)[C@H]2CCC[C@H]21 ZINC000863330787 1296225704 /nfs/dbraw/zinc/22/57/04/1296225704.db2.gz AWROMJZLKLIEEE-SCRDCRAPSA-N 0 0 333.384 2.210 10 10 EECERN COc1c(C)[nH]cc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)c1=O ZINC000931325652 1297141351 /nfs/dbraw/zinc/14/13/51/1297141351.db2.gz NAAKXRCSBVUGCR-UHFFFAOYSA-N 0 0 348.374 2.371 10 10 EECERN CN(C)c1ccnc(NC(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000797641431 1304794845 /nfs/dbraw/zinc/79/48/45/1304794845.db2.gz XOOABDKJTHJXMG-UHFFFAOYSA-N 0 0 332.383 2.069 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)C1(n2cccn2)CC1 ZINC001119754020 1309189508 /nfs/dbraw/zinc/18/95/08/1309189508.db2.gz KOCPAKWTXYHEMG-UHFFFAOYSA-N 0 0 342.468 2.242 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)CCC12CCC2 ZINC000840179452 1315318775 /nfs/dbraw/zinc/31/87/75/1315318775.db2.gz BIUKGBANVQXGAJ-UHFFFAOYSA-N 0 0 335.469 2.424 10 10 EECERN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001142444230 1315611036 /nfs/dbraw/zinc/61/10/36/1315611036.db2.gz OONKKKOBGGKHMA-GXTWGEPZSA-N 0 0 349.427 2.467 10 10 EECERN Cn1cnc(CCC[NH2+]Cc2cccc(Br)c2[O-])n1 ZINC000842737833 1315765157 /nfs/dbraw/zinc/76/51/57/1315765157.db2.gz SWTOLBKSNZISSN-UHFFFAOYSA-N 0 0 325.210 2.006 10 10 EECERN COC(=O)[C@@H](CC(C)(C)C)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000843424339 1315912404 /nfs/dbraw/zinc/91/24/04/1315912404.db2.gz YUROKVALZWXDPJ-LLVKDONJSA-N 0 0 340.376 2.376 10 10 EECERN C[C@]1(C(=O)NCc2cccc(O)c2O)CC(c2ccccc2)=NO1 ZINC001153798096 1316885770 /nfs/dbraw/zinc/88/57/70/1316885770.db2.gz MANVONGJEYYEAF-GOSISDBHSA-N 0 0 326.352 2.297 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2COC[C@H]2OC)cc1 ZINC001251739010 1317496753 /nfs/dbraw/zinc/49/67/53/1317496753.db2.gz SWXDGDSPMBYXIK-DLBZAZTESA-N 0 0 335.448 2.088 10 10 EECERN Cc1cc(F)ccc1-n1cc(C(=O)NCc2ccc(O)cc2O)nn1 ZINC001299573567 1319526057 /nfs/dbraw/zinc/52/60/57/1319526057.db2.gz LFPNGMARWZATSE-UHFFFAOYSA-N 0 0 342.330 2.056 10 10 EECERN Cc1nnc(N(C)C[C@@H]2CCOC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001290730468 1328249910 /nfs/dbraw/zinc/24/99/10/1328249910.db2.gz UDVOFKNCHHXFIW-HNNXBMFYSA-N 0 0 347.438 2.313 10 10 EECERN CC(C)(C)OC(=O)N1CC=C(C(=O)NCc2cc(O)ccc2O)CC1 ZINC001303225315 1331350386 /nfs/dbraw/zinc/35/03/86/1331350386.db2.gz FZCLQRQETDBAQF-UHFFFAOYSA-N 0 0 348.399 2.281 10 10 EECERN COc1ccc(C(C)=O)cc1CC(=O)NCc1cc(O)ccc1O ZINC001303223557 1331350689 /nfs/dbraw/zinc/35/06/89/1331350689.db2.gz VCBAVASLAKDKHV-UHFFFAOYSA-N 0 0 329.352 2.168 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC12CC2 ZINC001329026830 1334570993 /nfs/dbraw/zinc/57/09/93/1334570993.db2.gz LQZRATNAOMPWBF-KGLIPLIRSA-N 0 0 347.411 2.269 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc(C4CC4)[nH]3)C2)cc1 ZINC001329351576 1334632219 /nfs/dbraw/zinc/63/22/19/1334632219.db2.gz LNGDHGGKAAVTIQ-CYBMUJFWSA-N 0 0 326.400 2.304 10 10 EECERN C[C@@H](NC(=O)C(=O)N[C@@H]1CCS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001332948597 1335935473 /nfs/dbraw/zinc/93/54/73/1335935473.db2.gz NSXMBFHQHCBVMM-UMVBOHGHSA-N 0 0 349.500 2.330 10 10 EECERN CN1CCN(c2ccc(CN[C@H]3CCn4ccnc43)cc2F)CC1 ZINC001344070376 1337364163 /nfs/dbraw/zinc/36/41/63/1337364163.db2.gz RDKHBKKZRNFUGH-INIZCTEOSA-N 0 0 329.423 2.009 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001351674764 1337837570 /nfs/dbraw/zinc/83/75/70/1337837570.db2.gz YVQXFSMZTRUYFE-MRXNPFEDSA-N 0 0 329.444 2.114 10 10 EECERN CON(C)CCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001300122236 1338077104 /nfs/dbraw/zinc/07/71/04/1338077104.db2.gz CAWUYBBRNUUMKN-UHFFFAOYSA-N 0 0 343.427 2.438 10 10 EECERN C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C ZINC001355190042 1338698962 /nfs/dbraw/zinc/69/89/62/1338698962.db2.gz QOBBZXMIMBCQCC-JTNHKYCSSA-N 0 0 345.403 2.130 10 10 EECERN CC[C@@H](COCC1CC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849359216 1339154230 /nfs/dbraw/zinc/15/42/30/1339154230.db2.gz MDMSVGDUXGPACM-HNNXBMFYSA-N 0 0 332.400 2.362 10 10 EECERN Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2ccc(O)cc2O)c1C ZINC001557084524 1342440346 /nfs/dbraw/zinc/44/03/46/1342440346.db2.gz CSWCNVZXCKQTMK-UHFFFAOYSA-N 0 0 349.408 2.048 10 10 EECERN CC(C)S(=O)(=O)c1cccc(C(=O)NCc2cccc(O)c2O)c1 ZINC001558162337 1342467314 /nfs/dbraw/zinc/46/73/14/1342467314.db2.gz ZNDALKFGQHYCOP-UHFFFAOYSA-N 0 0 349.408 2.210 10 10 EECERN CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001598412503 1349938631 /nfs/dbraw/zinc/93/86/31/1349938631.db2.gz HYBLXSYUDNXILR-ZDUSSCGKSA-N 0 0 345.403 2.227 10 10 EECERN CNC(=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001623598243 1352400908 /nfs/dbraw/zinc/40/09/08/1352400908.db2.gz GRWMTINOXBXLFG-UHFFFAOYSA-N 0 0 325.328 2.461 10 10 EECERN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001625358081 1352447270 /nfs/dbraw/zinc/44/72/70/1352447270.db2.gz ZTNKPZYCAWLZQK-KPCOEVGBSA-N 0 0 346.408 2.039 10 10 EECERN Cc1ccc(N2CCOCC2)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001626550741 1352466130 /nfs/dbraw/zinc/46/61/30/1352466130.db2.gz CBBPIVNZEUCHTR-UHFFFAOYSA-N 0 0 342.395 2.424 10 10 EECERN O=C(Cn1cc(Br)cn1)NCc1cc(Cl)ccc1O ZINC001628667551 1352540213 /nfs/dbraw/zinc/54/02/13/1352540213.db2.gz XDOQNPZCOYDFIU-UHFFFAOYSA-N 0 0 344.596 2.321 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(C(N)=O)o1 ZINC001628951361 1352545891 /nfs/dbraw/zinc/54/58/91/1352545891.db2.gz VLZDNEARPRHEHS-UHFFFAOYSA-N 0 0 327.384 2.251 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2cccnc2-n2cccn2)cc1 ZINC001630842684 1352573445 /nfs/dbraw/zinc/57/34/45/1352573445.db2.gz KEBMNKJNHKWLER-UHFFFAOYSA-N 0 0 349.354 2.360 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCCCO1 ZINC001631531380 1352585300 /nfs/dbraw/zinc/58/53/00/1352585300.db2.gz PUWJYEMHTXELFU-CQSZACIVSA-N 0 0 341.791 2.116 10 10 EECERN Cn1nc(C(=O)NCc2cccc(Br)c2O)cc1Cl ZINC001634725436 1352634335 /nfs/dbraw/zinc/63/43/35/1352634335.db2.gz YBCMNGSJMGPUPG-UHFFFAOYSA-N 0 0 344.596 2.472 10 10 EECERN CC(C)(C)[C@H](NC(N)=O)C(=O)NCc1c(O)ccc2ccccc21 ZINC001635969683 1352655936 /nfs/dbraw/zinc/65/59/36/1352655936.db2.gz VVJAWCJHXOMVGC-OAHLLOKOSA-N 0 0 329.400 2.245 10 10 EECERN CC(=O)N[C@H](CC(=O)NCc1cc(O)ccc1O)c1ccc(C)cc1 ZINC001637122596 1352672112 /nfs/dbraw/zinc/67/21/12/1352672112.db2.gz JFZCDXLAAWAZGZ-QGZVFWFLSA-N 0 0 342.395 2.290 10 10 EECERN C[C@@](O)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl ZINC001638064503 1352684324 /nfs/dbraw/zinc/68/43/24/1352684324.db2.gz GDDPQDXGVNAWHL-QGZVFWFLSA-N 0 0 335.787 2.318 10 10 EECERN Cc1[nH]nc(NC(=O)C2=CC(=O)CS2)c1I ZINC001639301175 1352697013 /nfs/dbraw/zinc/69/70/13/1352697013.db2.gz OQGCNKWDLOPZTK-UHFFFAOYSA-N 0 0 349.153 2.342 10 10 EECERN Nc1ncc(Br)cc1CNC(=O)C1=CC(=O)CS1 ZINC001641042408 1352717688 /nfs/dbraw/zinc/71/76/88/1352717688.db2.gz CEYFAWOWFCMHCE-UHFFFAOYSA-N 0 0 328.191 2.123 10 10 EECERN O=C(N[C@H]1CCN(c2ccccc2F)C1)c1c(F)ccc(O)c1O ZINC001641627848 1352723330 /nfs/dbraw/zinc/72/33/30/1352723330.db2.gz VZTYMIXISSQBGH-JTQLQIEISA-N 0 0 334.322 2.385 10 10 EECERN O=C(Cc1ccccc1N1CCCC1=O)NCc1c(O)cccc1O ZINC001652628892 1354097720 /nfs/dbraw/zinc/09/77/20/1354097720.db2.gz OCBXKELFOLPIDT-UHFFFAOYSA-N 0 0 340.379 2.084 10 10 EECERN COC(=O)CCCCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001652734981 1354100821 /nfs/dbraw/zinc/10/08/21/1354100821.db2.gz MAJAMAXKORMEKS-UHFFFAOYSA-N 0 0 343.807 2.364 10 10 EECERN CON(CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccc(C)o1 ZINC001655648150 1354180982 /nfs/dbraw/zinc/18/09/82/1354180982.db2.gz MTQSKVMREDBLKW-UHFFFAOYSA-N 0 0 331.416 2.334 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCC3(C2)OCCO3)c1 ZINC001680834399 1357921631 /nfs/dbraw/zinc/92/16/31/1357921631.db2.gz MXRBCNBKSVQKCU-NEPJUHHUSA-N 0 0 336.388 2.057 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)c1 ZINC000918745477 769365569 /nfs/dbraw/zinc/36/55/69/769365569.db2.gz MGBSVQCEWBWKOQ-NOZJJQNGSA-N 0 0 348.321 2.167 10 10 EECERN COc1cnc(F)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000846898768 790718128 /nfs/dbraw/zinc/71/81/28/790718128.db2.gz JSQZWKVOORVTER-UHFFFAOYSA-N 0 0 331.347 2.335 10 10 EECERN CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](CC)O1 ZINC000817123876 784519722 /nfs/dbraw/zinc/51/97/22/784519722.db2.gz IYUMCEVMNHHDHJ-QWRGUYRKSA-N 0 0 335.360 2.320 10 10 EECERN CC[C@H]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000817216562 784587658 /nfs/dbraw/zinc/58/76/58/784587658.db2.gz HIMFTGYSWYBNMX-HAQNSBGRSA-N 0 0 340.445 2.462 10 10 EECERN Cc1nc([C@@](C)(NC(=O)/C=C\c2ccc(O)c(O)c2)C2CC2)no1 ZINC000817630106 784862099 /nfs/dbraw/zinc/86/20/99/784862099.db2.gz FSQHQJASDLEICO-LYLYKKCESA-N 0 0 329.356 2.244 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC[C@@H](O)CC23CCC3)cc1F ZINC000817775594 784957680 /nfs/dbraw/zinc/95/76/80/784957680.db2.gz SPYFEULKBUIBNV-CQSZACIVSA-N 0 0 335.423 2.481 10 10 EECERN COc1ccc(N2CCN(C(=O)/C=C/[C@@H]3CCCO3)CC2)cc1F ZINC000819367534 785535200 /nfs/dbraw/zinc/53/52/00/785535200.db2.gz KHDCFNNMFLUEND-ZKKXHLJNSA-N 0 0 334.391 2.218 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)c3ccnn3C)C2)cc1 ZINC000819587208 785596788 /nfs/dbraw/zinc/59/67/88/785596788.db2.gz IEWKPINGHUBEPB-HUUCEWRRSA-N 0 0 342.443 2.175 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCOCC3)C2)cc1 ZINC000819590341 785599250 /nfs/dbraw/zinc/59/92/50/785599250.db2.gz YINRAUWRFNAWHA-CVEARBPZSA-N 0 0 332.444 2.454 10 10 EECERN COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)cc2C)O1 ZINC000820036159 785774685 /nfs/dbraw/zinc/77/46/85/785774685.db2.gz YZBQAWYMESGWEV-DLBZAZTESA-N 0 0 348.443 2.178 10 10 EECERN CCOC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000828150391 786444026 /nfs/dbraw/zinc/44/40/26/786444026.db2.gz SEKFXAUVVPZTAZ-UHFFFAOYSA-N 0 0 346.471 2.471 10 10 EECERN COc1c(Br)ccc(C)c1C(=O)OCC(=O)C(C)=O ZINC000821332134 786686914 /nfs/dbraw/zinc/68/69/14/786686914.db2.gz IMEQKUZHQDLXGP-UHFFFAOYSA-N 0 0 329.146 2.081 10 10 EECERN CO[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000822688860 787341396 /nfs/dbraw/zinc/34/13/96/787341396.db2.gz VYVWVKJUYAOHCJ-CABCVRRESA-N 0 0 336.407 2.094 10 10 EECERN CCC/C=C/[C@H](O)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000911304586 787367351 /nfs/dbraw/zinc/36/73/51/787367351.db2.gz VCJVUORBMDWVSW-RFKZRZAASA-N 0 0 335.400 2.001 10 10 EECERN CCN(CC)c1ccc(CNC(=O)CCc2cnn(C)n2)cc1F ZINC000823213994 787624242 /nfs/dbraw/zinc/62/42/42/787624242.db2.gz UZDTXNNPEROSKJ-UHFFFAOYSA-N 0 0 333.411 2.049 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000843850762 788689980 /nfs/dbraw/zinc/68/99/80/788689980.db2.gz IGOGTQFZFHHDLY-VXGBXAGGSA-N 0 0 329.400 2.238 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)Nc1cc2c([nH]c1=O)CCCC2 ZINC000844725399 789329317 /nfs/dbraw/zinc/32/93/17/789329317.db2.gz IDHXMULRXPKMTP-UHFFFAOYSA-N 0 0 343.383 2.441 10 10 EECERN Cn1ncc(C(F)(F)F)c1CNC(=O)NCc1c(O)cccc1F ZINC000923395240 789489585 /nfs/dbraw/zinc/48/95/85/789489585.db2.gz QPKQRKUQKFNDFN-UHFFFAOYSA-N 0 0 346.284 2.283 10 10 EECERN COc1cccc(CNC(=O)N[C@@H](C2CC2)C2CCOCC2)c1O ZINC000845428497 789772141 /nfs/dbraw/zinc/77/21/41/789772141.db2.gz LTLFLHCSMSGKLE-INIZCTEOSA-N 0 0 334.416 2.405 10 10 EECERN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccnn2C2CCC2)cc1 ZINC000913860037 794421829 /nfs/dbraw/zinc/42/18/29/794421829.db2.gz GDWMCUJWSVSPTL-UHFFFAOYSA-N 0 0 348.472 2.495 10 10 EECERN CN(C)c1ccc(CN(C)S(=O)(=O)c2cnn(C3CCC3)c2)cc1 ZINC000913860907 794423804 /nfs/dbraw/zinc/42/38/04/794423804.db2.gz UBOMHCUXSBVBCM-UHFFFAOYSA-N 0 0 348.472 2.495 10 10 EECERN CO[C@]1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CCSC1 ZINC000915367250 795943654 /nfs/dbraw/zinc/94/36/54/795943654.db2.gz XYHZEHJKXXDJHE-INIZCTEOSA-N 0 0 341.452 2.213 10 10 EECERN O=C(c1cn(CCc2ccccc2)nn1)N1Cc2cccc(O)c2C1 ZINC001175037086 797972851 /nfs/dbraw/zinc/97/28/51/797972851.db2.gz BUBNFSUBOYBFNK-UHFFFAOYSA-N 0 0 334.379 2.382 10 10 EECERN Cn1cc(-c2nc(C(=O)NCc3c(O)cccc3F)cs2)cn1 ZINC001178410278 799465228 /nfs/dbraw/zinc/46/52/28/799465228.db2.gz PATYRGIVMCWCHJ-UHFFFAOYSA-N 0 0 332.360 2.318 10 10 EECERN O=C(NCc1nc(Cc2ccccc2)no1)c1c(F)ccc(O)c1O ZINC001182481795 801223191 /nfs/dbraw/zinc/22/31/91/801223191.db2.gz MGNBPQMFEIFGLP-UHFFFAOYSA-N 0 0 343.314 2.141 10 10 EECERN C[NH+](C)CC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000922629899 801547189 /nfs/dbraw/zinc/54/71/89/801547189.db2.gz AXXBJJLAQKQSOX-INIZCTEOSA-N 0 0 330.388 2.478 10 10 EECERN COc1cccc(CNC(=O)NCCCc2nc(C(C)C)no2)c1O ZINC000073954107 802873900 /nfs/dbraw/zinc/87/39/00/802873900.db2.gz HJLIPGGYGANNCM-UHFFFAOYSA-N 0 0 348.403 2.339 10 10 EECERN COc1ccc(C(=O)N2CCOc3ccc(N(C)C)cc3C2)cn1 ZINC000581789092 803099225 /nfs/dbraw/zinc/09/92/25/803099225.db2.gz MQEHRJQQECHFJW-UHFFFAOYSA-N 0 0 327.384 2.191 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCCC2CS(=O)(=O)C2)cc1 ZINC000787458749 807127157 /nfs/dbraw/zinc/12/71/57/807127157.db2.gz YGTPXOUFURVJMD-UHFFFAOYSA-N 0 0 346.452 2.259 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000788975360 807801446 /nfs/dbraw/zinc/80/14/46/807801446.db2.gz JFPRUCSHZUYCKL-VIFPVBQESA-N 0 0 328.128 2.476 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)Cc2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000790298011 808569141 /nfs/dbraw/zinc/56/91/41/808569141.db2.gz VMSAFCCGKLHGAK-SOFGYWHQSA-N 0 0 344.371 2.459 10 10 EECERN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1=CC(=O)CS1 ZINC000792516212 809776695 /nfs/dbraw/zinc/77/66/95/809776695.db2.gz HQQLKDALIRIZKA-CYBMUJFWSA-N 0 0 334.372 2.124 10 10 EECERN CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000792793698 809999760 /nfs/dbraw/zinc/99/97/60/809999760.db2.gz TYDGKGSEQHNUML-HKUYNNGSSA-N 0 0 347.459 2.232 10 10 EECERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCCOC1 ZINC000805136245 811154088 /nfs/dbraw/zinc/15/40/88/811154088.db2.gz FYOFLEYUZOCHQD-LLVKDONJSA-N 0 0 329.194 2.133 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H](CO)c2cccnc2)c1[O-] ZINC000808431427 812652895 /nfs/dbraw/zinc/65/28/95/812652895.db2.gz SQSZSYAYPBKUNA-LBPRGKRZSA-N 0 0 337.763 2.215 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](C)[C@@H]3OCC)CC2)cc1 ZINC001566562639 1125737352 /nfs/dbraw/zinc/73/73/52/1125737352.db2.gz MSEXJKLBJIMIRD-OLMNPRSZSA-N 0 0 332.444 2.405 10 10 EECERN CCc1nn(C)c(OC)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001446905799 1101582250 /nfs/dbraw/zinc/58/22/50/1101582250.db2.gz OKEOCNOIPYFBJL-UHFFFAOYSA-N 0 0 344.375 2.084 10 10 EECERN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001457550498 1109663669 /nfs/dbraw/zinc/66/36/69/1109663669.db2.gz DORVGCXHUUETJB-ZETCQYMHSA-N 0 0 331.303 2.310 10 10 EECERN COc1cc2c(cc1O)CCN(C(=O)c1c(F)ccc(O)c1O)C2 ZINC001458011276 1109822428 /nfs/dbraw/zinc/82/24/28/1109822428.db2.gz YZOMKLMDDKMFDX-UHFFFAOYSA-N 0 0 333.315 2.150 10 10 EECERN O=C(c1c[nH]c(=O)c(Br)c1)N1Cc2cccc(O)c2C1 ZINC001471355885 1110521267 /nfs/dbraw/zinc/52/12/67/1110521267.db2.gz ZATVXLCIYRDCFH-UHFFFAOYSA-N 0 0 335.157 2.411 10 10 EECERN C[C@@]1(c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)COC(=O)N1 ZINC001471594563 1110525331 /nfs/dbraw/zinc/52/53/31/1110525331.db2.gz LKXNQHOEXUPVND-SFHVURJKSA-N 0 0 342.351 2.234 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1cccc2[nH]c(CO)nc21 ZINC001472317183 1110551627 /nfs/dbraw/zinc/55/16/27/1110551627.db2.gz YMVDJJWXYDXQQN-UHFFFAOYSA-N 0 0 331.759 2.344 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCO[C@@H](C(F)(F)F)C2)cc1OC ZINC001472701137 1110562159 /nfs/dbraw/zinc/56/21/59/1110562159.db2.gz FNUZTVZFVIDIEF-GFCCVEGCSA-N 0 0 336.266 2.380 10 10 EECERN CCCC(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001523118548 1119653130 /nfs/dbraw/zinc/65/31/30/1119653130.db2.gz JOQUXVKTBVICQW-CQSZACIVSA-N 0 0 345.403 2.322 10 10 EECERN CCCC(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001523333954 1119756624 /nfs/dbraw/zinc/75/66/24/1119756624.db2.gz GPMVMDKWUKGBIC-UHFFFAOYSA-N 0 0 333.392 2.227 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCn2ncnc21 ZINC001540488578 1124084480 /nfs/dbraw/zinc/08/44/80/1124084480.db2.gz VZKSDNPTAHGCDJ-QGZVFWFLSA-N 0 0 339.443 2.414 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(CO)nc1 ZINC001541080053 1124098976 /nfs/dbraw/zinc/09/89/76/1124098976.db2.gz CDQSWELFQRAUJV-UHFFFAOYSA-N 0 0 343.452 2.057 10 10 EECERN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001542348940 1124112582 /nfs/dbraw/zinc/11/25/82/1124112582.db2.gz RMBQWOSAMYOEIS-ZFWWWQNUSA-N 0 0 348.443 2.184 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1cc(-n2ccnn2)ccc1F ZINC001545501413 1124193406 /nfs/dbraw/zinc/19/34/06/1124193406.db2.gz VCAXPSWLPGDWTD-UHFFFAOYSA-N 0 0 326.331 2.384 10 10 EECERN COc1ccc(CNC(=O)NCCc2ccc(O)c(O)c2)cc1OC ZINC000095397513 218329733 /nfs/dbraw/zinc/32/97/33/218329733.db2.gz WAZQOFDDBVROCK-UHFFFAOYSA-N 0 0 346.383 2.157 10 10 EECERN CCN(CC)c1ccc(CNc2ccc(C(=O)NC)nn2)cc1F ZINC000074749843 462630205 /nfs/dbraw/zinc/63/02/05/462630205.db2.gz ZPLHDOFNSUUCDB-UHFFFAOYSA-N 0 0 331.395 2.434 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC[C@H]2CC(=O)OC)c([N+](=O)[O-])c1 ZINC000269345891 463959571 /nfs/dbraw/zinc/95/95/71/463959571.db2.gz IAWNUJBQEBXSFD-WOLRVDTOSA-N 0 0 348.355 2.313 10 10 EECERN Cc1[nH]nc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000265207237 464512555 /nfs/dbraw/zinc/51/25/55/464512555.db2.gz KLTZBUITRGAUES-UHFFFAOYSA-N 0 0 328.416 2.135 10 10 EECERN CCN1CC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1=O ZINC000272248875 464535822 /nfs/dbraw/zinc/53/58/22/464535822.db2.gz KSDNCWFCTAWNKB-CHWSQXEVSA-N 0 0 349.406 2.223 10 10 EECERN Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(O)c1O ZINC000182885312 464749065 /nfs/dbraw/zinc/74/90/65/464749065.db2.gz IWDFQOGGRCXZNQ-IUODEOHRSA-N 0 0 344.411 2.022 10 10 EECERN C[C@H]1OCC[C@@H]1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276120583 464815501 /nfs/dbraw/zinc/81/55/01/464815501.db2.gz YQWSUVLDYMBGRX-DYVFJYSZSA-N 0 0 338.473 2.224 10 10 EECERN COc1nonc1N=NN(Cc1ccccc1)c1nonc1OC ZINC000252638910 464985243 /nfs/dbraw/zinc/98/52/43/464985243.db2.gz YHCILDJNSDGOSL-UHFFFAOYSA-N 0 0 331.292 2.175 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000368825644 466700284 /nfs/dbraw/zinc/70/02/84/466700284.db2.gz XXAVDKSNMWIQNM-UHFFFAOYSA-N 0 0 337.383 2.315 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000369775195 466752649 /nfs/dbraw/zinc/75/26/49/466752649.db2.gz OSTXVRMTUDNDBJ-GOOCMWNKSA-N 0 0 343.423 2.129 10 10 EECERN COC(=O)[C@H](CNC(=O)C1=CC(=O)CS1)Cc1cccc(F)c1 ZINC000732289123 577166907 /nfs/dbraw/zinc/16/69/07/577166907.db2.gz LGVLRGPVRGZXHS-NSHDSACASA-N 0 0 337.372 2.355 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(N(C)C)cc1 ZINC000773369696 577337166 /nfs/dbraw/zinc/33/71/66/577337166.db2.gz ITIKBEGYFCCBOR-CXUGXGMPSA-N 0 0 344.459 2.122 10 10 EECERN CC(=O)N1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000773623679 577355135 /nfs/dbraw/zinc/35/51/35/577355135.db2.gz LIMRKVIIXLFRNE-UONOGXRCSA-N 0 0 332.448 2.076 10 10 EECERN C/C=C/C[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OCC ZINC000775117183 577430262 /nfs/dbraw/zinc/43/02/62/577430262.db2.gz ACVJIFFMFPXZKY-FUEXJSSKSA-N 0 0 338.360 2.297 10 10 EECERN COCc1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)co1 ZINC000775801551 577446325 /nfs/dbraw/zinc/44/63/25/577446325.db2.gz UTSCYENXVZQNPC-UHFFFAOYSA-N 0 0 347.440 2.304 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCOc4ccccc4C3)cc2N1 ZINC000761883397 577690923 /nfs/dbraw/zinc/69/09/23/577690923.db2.gz DUGZRDVDVFRZQC-UHFFFAOYSA-N 0 0 341.323 2.325 10 10 EECERN CN1CCCc2cc(CNC(=O)NCc3noc(C4CC4)n3)ccc21 ZINC000763547763 577722529 /nfs/dbraw/zinc/72/25/29/577722529.db2.gz GCNJCSRCBUJURE-UHFFFAOYSA-N 0 0 341.415 2.329 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)N(C)CC3)cc1 ZINC000753368132 577785959 /nfs/dbraw/zinc/78/59/59/577785959.db2.gz NPHKVVQMTXRGCD-UHFFFAOYSA-N 0 0 345.468 2.223 10 10 EECERN CO[C@@H](C)CN(C(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000741081271 578112672 /nfs/dbraw/zinc/11/26/72/578112672.db2.gz RJEMBVTWWRAFIG-INIZCTEOSA-N 0 0 349.475 2.478 10 10 EECERN Cc1cc(CCNS(=O)(=O)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000735672970 578163229 /nfs/dbraw/zinc/16/32/29/578163229.db2.gz LYVKBWJAWAFOQV-SFHVURJKSA-N 0 0 348.468 2.345 10 10 EECERN CCc1cnc(CCNC(=O)NCc2cccc(OC)c2O)s1 ZINC000074842458 674761913 /nfs/dbraw/zinc/76/19/13/674761913.db2.gz SECINNQIGYOOAO-UHFFFAOYSA-N 0 0 335.429 2.462 10 10 EECERN O=C(NCc1cc(Br)ccc1O)[C@@H]1C[C@@]12CCOC2 ZINC000804735578 675609987 /nfs/dbraw/zinc/60/99/87/675609987.db2.gz FKLDJBLCTARJTQ-SMDDNHRTSA-N 0 0 326.190 2.198 10 10 EECERN C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C1N=NC(=O)N1C ZINC000895175626 684216951 /nfs/dbraw/zinc/21/69/51/684216951.db2.gz OEWNFMIJTZMVRE-VIFPVBQESA-N 0 0 343.353 2.456 10 10 EECERN CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)[n-]1 ZINC000895236364 684338277 /nfs/dbraw/zinc/33/82/77/684338277.db2.gz PMFIARNDCVJCFF-JTQLQIEISA-N 0 0 335.383 2.037 10 10 EECERN Cc1ccnc(N)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895334431 684503634 /nfs/dbraw/zinc/50/36/34/684503634.db2.gz MPCNCCPDQNSVLZ-UHFFFAOYSA-N 0 0 326.444 2.223 10 10 EECERN Cc1cc(C(=O)CN2C(=O)O[C@@H](C)C2=O)c(C)n1-c1ccc(F)cn1 ZINC000871781030 1197898888 /nfs/dbraw/zinc/89/88/88/1197898888.db2.gz LPOOYPYYKHLDBC-NSHDSACASA-N 0 0 345.330 2.178 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N3C[C@@H](OC)C[C@]3(C)C2=O)cc1 ZINC000865300070 1198158750 /nfs/dbraw/zinc/15/87/50/1198158750.db2.gz WQRXCVHBCMEIJK-QFBILLFUSA-N 0 0 345.443 2.474 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1SC ZINC000825601631 1198174617 /nfs/dbraw/zinc/17/46/17/1198174617.db2.gz ALZAMPBNFDJMAK-OAGGEKHMSA-N 0 0 337.489 2.461 10 10 EECERN O=C(CC1CSC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000865953598 1198436715 /nfs/dbraw/zinc/43/67/15/1198436715.db2.gz SSPZXTOTQZLBOI-UHFFFAOYSA-N 0 0 334.485 2.265 10 10 EECERN CC1CCN(c2ccc(CNC(=O)NC3COCCOC3)cc2)CC1 ZINC000813633971 1199121019 /nfs/dbraw/zinc/12/10/19/1199121019.db2.gz ACYVBNWRMSOPIQ-UHFFFAOYSA-N 0 0 347.459 2.138 10 10 EECERN C[C@@H](NC(=O)N1C[C@@H](O)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000825775898 1199192202 /nfs/dbraw/zinc/19/22/02/1199192202.db2.gz IVDPPOQSHGWHDS-DAYGRLMNSA-N 0 0 347.459 2.139 10 10 EECERN C[C@@H]1C[C@H](C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)O1 ZINC000869655067 1200201937 /nfs/dbraw/zinc/20/19/37/1200201937.db2.gz VTYYAYGDXJWYHD-KEYYUXOJSA-N 0 0 348.443 2.068 10 10 EECERN COc1ccc(N2CCN(S(=O)(=O)C3(C(C)C)CC3)CC2)cc1 ZINC000866389160 1201506194 /nfs/dbraw/zinc/50/61/94/1201506194.db2.gz QGOZXTNOCBARFK-UHFFFAOYSA-N 0 0 338.473 2.336 10 10 EECERN C[C@H](NS(=O)(=O)c1c(C(F)(F)F)cnn1C)c1ccccc1O ZINC000867836013 1201690803 /nfs/dbraw/zinc/69/08/03/1201690803.db2.gz AVHUAQAKRBMDGV-QMMMGPOBSA-N 0 0 349.334 2.184 10 10 EECERN Cc1cc(CC(=O)NC2CC(CC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000928053313 1206331849 /nfs/dbraw/zinc/33/18/49/1206331849.db2.gz SPGUINPJMXMHGN-UHFFFAOYSA-N 0 0 339.439 2.407 10 10 EECERN CO[C@H]1CCCN(NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000928408851 1206379554 /nfs/dbraw/zinc/37/95/54/1206379554.db2.gz IHTVIDHMSVTJNI-HNNXBMFYSA-N 0 0 328.416 2.245 10 10 EECERN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928712277 1206413997 /nfs/dbraw/zinc/41/39/97/1206413997.db2.gz PYWQTVXZGQDYDO-LBPRGKRZSA-N 0 0 340.420 2.095 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnn1C1CCC1 ZINC000930519096 1206564368 /nfs/dbraw/zinc/56/43/68/1206564368.db2.gz IAYOTSNYKTWJDS-UHFFFAOYSA-N 0 0 340.427 2.375 10 10 EECERN Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(O)c(O)c1 ZINC000159056193 1208427829 /nfs/dbraw/zinc/42/78/29/1208427829.db2.gz CQBZEEYZYQXSON-UHFFFAOYSA-N 0 0 331.416 2.426 10 10 EECERN C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000159564949 1208480281 /nfs/dbraw/zinc/48/02/81/1208480281.db2.gz LEDOQIIBZQLRPX-DTWKUNHWSA-N 0 0 327.768 2.040 10 10 EECERN CC(=O)N[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000098074593 1216751632 /nfs/dbraw/zinc/75/16/32/1216751632.db2.gz MPRHEHPZUNHZPY-MRXNPFEDSA-N 0 0 342.395 2.024 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]CCC2(O)CCOCC2)c1 ZINC000796465651 1218429108 /nfs/dbraw/zinc/42/91/08/1218429108.db2.gz IDEFCBFCMDJRKO-UHFFFAOYSA-N 0 0 344.249 2.484 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3n[nH]c(=S)n3c2)c1 ZINC001137473487 1248677862 /nfs/dbraw/zinc/67/78/62/1248677862.db2.gz KYLIRXYUKJSHAC-VIFPVBQESA-N 0 0 344.396 2.223 10 10 EECERN C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC(=O)N1C ZINC000800537290 1234281371 /nfs/dbraw/zinc/28/13/71/1234281371.db2.gz RCWYDFKFFJOEQW-LLVKDONJSA-N 0 0 329.366 2.434 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCCCn1ccnn1 ZINC000802287196 1237212050 /nfs/dbraw/zinc/21/20/50/1237212050.db2.gz CKDIWAKBZWDIQS-UHFFFAOYSA-N 0 0 331.420 2.386 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(CC)C1=O ZINC000802533310 1237605007 /nfs/dbraw/zinc/60/50/07/1237605007.db2.gz WYXBINDIFSWTEE-OAHLLOKOSA-N 0 0 333.432 2.325 10 10 EECERN CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1[O-] ZINC000903363170 1240312446 /nfs/dbraw/zinc/31/24/46/1240312446.db2.gz MEXWVCNQWYZIKP-HIFRSBDPSA-N 0 0 347.864 2.290 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N3CCC3)nc2)c1 ZINC000827303821 1247843540 /nfs/dbraw/zinc/84/35/40/1247843540.db2.gz OULNVGYZQIFPKO-LBPRGKRZSA-N 0 0 327.384 2.497 10 10 EECERN Cc1cc(CC(=O)NC[C@@H]2CCCNC2=O)c(C)n1-c1ccccc1 ZINC000826822602 1248084845 /nfs/dbraw/zinc/08/48/45/1248084845.db2.gz YPZTZUCQGMXMGM-INIZCTEOSA-N 0 0 339.439 2.279 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(OC)C3CC3)C2)cc1 ZINC000852349763 1292096176 /nfs/dbraw/zinc/09/61/76/1292096176.db2.gz PXQUVEXITXUUBC-HNAYVOBHSA-N 0 0 347.459 2.388 10 10 EECERN CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H](C)O1 ZINC000852455926 1292118616 /nfs/dbraw/zinc/11/86/16/1292118616.db2.gz WPOUQLKFBGCBOD-BFYDXBDKSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(O)c(CNC(=O)NCC2(CC(N)=O)CCCCC2)c1 ZINC000853737594 1292443434 /nfs/dbraw/zinc/44/34/34/1292443434.db2.gz JQONKSVPLPKXIK-UHFFFAOYSA-N 0 0 349.431 2.026 10 10 EECERN Cc1cc(CC(=O)NCC(=O)NC2CC2)c(C)n1-c1ccccc1 ZINC000854278159 1292702178 /nfs/dbraw/zinc/70/21/78/1292702178.db2.gz RFXOQUYUAVWKSB-UHFFFAOYSA-N 0 0 325.412 2.031 10 10 EECERN Cc1cc(CC(=O)N(C)CC(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000854290642 1292705227 /nfs/dbraw/zinc/70/52/27/1292705227.db2.gz YTWNEZHACDZARC-UHFFFAOYSA-N 0 0 327.428 2.183 10 10 EECERN Cc1ccc(C(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)c(O)c1O ZINC000855120627 1293078971 /nfs/dbraw/zinc/07/89/71/1293078971.db2.gz MCILATUIVKFFRD-QGZVFWFLSA-N 0 0 349.427 2.094 10 10 EECERN COCc1ncc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000855225671 1293117636 /nfs/dbraw/zinc/11/76/36/1293117636.db2.gz LFWWBGGABHORRM-GFCCVEGCSA-N 0 0 347.440 2.307 10 10 EECERN CCOC(=O)C1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000855234175 1293123071 /nfs/dbraw/zinc/12/30/71/1293123071.db2.gz UNCFWBGXWGUJJW-CQSZACIVSA-N 0 0 346.427 2.124 10 10 EECERN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](CC(F)(F)F)O1 ZINC000857338732 1293796540 /nfs/dbraw/zinc/79/65/40/1293796540.db2.gz PTYPDBZYIAIOFP-SFYZADRCSA-N 0 0 337.269 2.419 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2COCCN2C)cc1 ZINC000858842535 1294241720 /nfs/dbraw/zinc/24/17/20/1294241720.db2.gz SKMJIOILIRKSHL-GOSISDBHSA-N 0 0 348.491 2.005 10 10 EECERN Nc1ccc(CCNC(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000861639207 1295485535 /nfs/dbraw/zinc/48/55/35/1295485535.db2.gz BMBGUUFEWGKYAD-CYBMUJFWSA-N 0 0 341.337 2.111 10 10 EECERN CN(C)c1cc(F)c(CN2CCN3C(=O)OCC[C@H]3C2)cc1F ZINC000862251999 1295770005 /nfs/dbraw/zinc/77/00/05/1295770005.db2.gz BPKDKLBXKRPZPQ-LBPRGKRZSA-N 0 0 325.359 2.057 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](C[C@H]2CCCOC2)C1=O ZINC000863505847 1296314606 /nfs/dbraw/zinc/31/46/06/1296314606.db2.gz XCQYSBKMESJHNX-PBHICJAKSA-N 0 0 345.443 2.298 10 10 EECERN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1 ZINC000797820276 1296563045 /nfs/dbraw/zinc/56/30/45/1296563045.db2.gz OVJPXSWRHZFQBJ-UHFFFAOYSA-N 0 0 339.369 2.219 10 10 EECERN CN(C)[C@H](CCNC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC000926832073 1296937604 /nfs/dbraw/zinc/93/76/04/1296937604.db2.gz PTVIKSRQJRYBBF-GFCCVEGCSA-N 0 0 337.317 2.213 10 10 EECERN CN1CCCc2cc(CNC(=O)NCC(O)(C3CC3)C3CC3)ccc21 ZINC001118531438 1308877352 /nfs/dbraw/zinc/87/73/52/1308877352.db2.gz GAFMJRPPCUZELM-UHFFFAOYSA-N 0 0 343.471 2.419 10 10 EECERN CN(C)c1ccc(CNC(=O)N2C[C@]3(C)COC[C@]3(C)C2)cc1F ZINC001118594390 1308895273 /nfs/dbraw/zinc/89/52/73/1308895273.db2.gz ZOSPXQURNKHRNO-HDICACEKSA-N 0 0 335.423 2.460 10 10 EECERN CC(C)n1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)nn1 ZINC001159551186 1319879775 /nfs/dbraw/zinc/87/97/75/1319879775.db2.gz ICACACMENNJKQV-UHFFFAOYSA-N 0 0 332.385 2.415 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)CCCOC ZINC001142691063 1315705342 /nfs/dbraw/zinc/70/53/42/1315705342.db2.gz UGWVLLSNCJVMOF-CQSZACIVSA-N 0 0 337.416 2.347 10 10 EECERN COc1ccc(N2CC[C@H](COC(=O)c3nn(C)cc3C)C2)cc1 ZINC000842876346 1315789787 /nfs/dbraw/zinc/78/97/87/1315789787.db2.gz XAYCAUDUIZFTSV-AWEZNQCLSA-N 0 0 329.400 2.420 10 10 EECERN CN(c1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001149118558 1315927527 /nfs/dbraw/zinc/92/75/27/1315927527.db2.gz DZENGMJKKXMADA-MRXNPFEDSA-N 0 0 326.396 2.378 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001150378075 1316247766 /nfs/dbraw/zinc/24/77/66/1316247766.db2.gz OEUHWPXEZFVLAC-UONOGXRCSA-N 0 0 328.324 2.426 10 10 EECERN CNc1ncnc2cc(C(=O)NCCc3ccc(O)c(O)c3)ccc21 ZINC001150487557 1316278302 /nfs/dbraw/zinc/27/83/02/1316278302.db2.gz FXHFUZGGISSXEZ-UHFFFAOYSA-N 0 0 338.367 2.055 10 10 EECERN Cc1c2ccccc2oc(=O)c1C(=O)NCc1c(O)cccc1O ZINC001156881283 1318257762 /nfs/dbraw/zinc/25/77/62/1318257762.db2.gz XHENOCLXVGOBLN-UHFFFAOYSA-N 0 0 325.320 2.443 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001156880842 1318257883 /nfs/dbraw/zinc/25/78/83/1318257883.db2.gz DCXGIWKESLBOBU-QWHCGFSZSA-N 0 0 341.363 2.289 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001156885792 1318264284 /nfs/dbraw/zinc/26/42/84/1318264284.db2.gz OPKNESYWLCXDKA-OAHLLOKOSA-N 0 0 348.305 2.185 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc2cc3c(cc2[nH]1)OCO3 ZINC001161372705 1320477891 /nfs/dbraw/zinc/47/78/91/1320477891.db2.gz FFIHVOVHFHCWEE-RQOWECAXSA-N 0 0 339.307 2.355 10 10 EECERN Cn1c(=O)[nH]c2ccc(C(=O)NCc3ccc4cccnc4c3O)cc21 ZINC001299721707 1321988972 /nfs/dbraw/zinc/98/89/72/1321988972.db2.gz QIZDGGZBRFRRQK-UHFFFAOYSA-N 0 0 348.362 2.463 10 10 EECERN CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC001261686716 1322154372 /nfs/dbraw/zinc/15/43/72/1322154372.db2.gz UTVXZBUFSOGBIJ-GOSISDBHSA-N 0 0 343.471 2.454 10 10 EECERN CN1CCN(c2ccc(CN3CCO[C@@H](C(F)F)C3)cc2F)CC1 ZINC001262011267 1322221972 /nfs/dbraw/zinc/22/19/72/1322221972.db2.gz FTVKBNNXMBEWLQ-MRXNPFEDSA-N 0 0 343.393 2.043 10 10 EECERN C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001283613843 1326162844 /nfs/dbraw/zinc/16/28/44/1326162844.db2.gz SBUWGDONKLEROL-BXUZGUMPSA-N 0 0 345.403 2.083 10 10 EECERN Cc1cc(F)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1N ZINC001292065643 1328359541 /nfs/dbraw/zinc/35/95/41/1328359541.db2.gz KBBSHHYWMYLNPK-UHFFFAOYSA-N 0 0 343.402 2.483 10 10 EECERN C/C(=C\C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001292544643 1328433906 /nfs/dbraw/zinc/43/39/06/1328433906.db2.gz QECMDPMJLOVIFD-XANDGPPWSA-N 0 0 343.387 2.051 10 10 EECERN CC(C)(C(=O)NCc1c(O)cccc1O)c1ccc2c(c1)OCCO2 ZINC001304051032 1331375186 /nfs/dbraw/zinc/37/51/86/1331375186.db2.gz SFHDMCNGKKAULA-UHFFFAOYSA-N 0 0 343.379 2.463 10 10 EECERN COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2[nH]nc(C)c2[O-])cc1C ZINC001317387956 1332210725 /nfs/dbraw/zinc/21/07/25/1332210725.db2.gz FNXISNHFQZQKSP-GFCCVEGCSA-N 0 0 346.431 2.039 10 10 EECERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001322249238 1333235929 /nfs/dbraw/zinc/23/59/29/1333235929.db2.gz GDXWANCDSVUIBW-UKRRQHHQSA-N 0 0 329.444 2.016 10 10 EECERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330487353 1334856134 /nfs/dbraw/zinc/85/61/34/1334856134.db2.gz RGSFRSFASOWFRQ-CABZTGNLSA-N 0 0 342.317 2.034 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC1CC(C)(C)C1 ZINC001331041386 1334952098 /nfs/dbraw/zinc/95/20/98/1334952098.db2.gz MJGTWHRADZOVJF-CQSZACIVSA-N 0 0 345.487 2.413 10 10 EECERN CCSCC[C@@H](C)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332023254 1335707880 /nfs/dbraw/zinc/70/78/80/1335707880.db2.gz LPHGQTKIWIRBHE-GFCCVEGCSA-N 0 0 336.457 2.225 10 10 EECERN O=C(C(=O)N1CC[C@@H](c2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC001335547107 1336393244 /nfs/dbraw/zinc/39/32/44/1336393244.db2.gz GGXSQZOSIRTQBZ-OAHLLOKOSA-N 0 0 336.391 2.251 10 10 EECERN COc1ccc(N2CC[C@H](CN3C(=O)N[C@](C)(CCF)C3=O)C2)cc1 ZINC000849358405 1339154370 /nfs/dbraw/zinc/15/43/70/1339154370.db2.gz YWMHXHBMZPPTKU-SCLBCKFNSA-N 0 0 349.406 2.192 10 10 EECERN CC(C)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001572056237 1343374205 /nfs/dbraw/zinc/37/42/05/1343374205.db2.gz MXJFUCRQUAZFPO-YEORSEQZSA-N 0 0 345.403 2.130 10 10 EECERN CSc1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)c(=O)[nH]1 ZINC001595435663 1349886304 /nfs/dbraw/zinc/88/63/04/1349886304.db2.gz JSLXZBKWXAWNRM-UHFFFAOYSA-N 0 0 344.440 2.434 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC001626256851 1352458387 /nfs/dbraw/zinc/45/83/87/1352458387.db2.gz FDJCSDUJUQGIJB-NSHDSACASA-N 0 0 333.306 2.210 10 10 EECERN CNC(=O)Cc1ccccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001629899677 1352560140 /nfs/dbraw/zinc/56/01/40/1352560140.db2.gz UFVAFKYNPBLHMP-UHFFFAOYSA-N 0 0 339.355 2.390 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ncc(Cl)cn1 ZINC001630481776 1352569287 /nfs/dbraw/zinc/56/92/87/1352569287.db2.gz ZVHDGFINNDTWTE-UHFFFAOYSA-N 0 0 349.774 2.041 10 10 EECERN COc1ccc([C@@H]2COCCN2C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001636437005 1352663803 /nfs/dbraw/zinc/66/38/03/1352663803.db2.gz VRDSRLIVYJEDPU-INIZCTEOSA-N 0 0 343.379 2.249 10 10 EECERN CNc1ccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)nc1 ZINC001639818598 1352702009 /nfs/dbraw/zinc/70/20/09/1352702009.db2.gz MHNNQFBSVPSJHM-UHFFFAOYSA-N 0 0 328.416 2.340 10 10 EECERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(O)c1O ZINC001643810210 1352751972 /nfs/dbraw/zinc/75/19/72/1352751972.db2.gz YVBZUBWJXCHXKQ-JTQLQIEISA-N 0 0 348.786 2.186 10 10 EECERN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1c(F)ccc(O)c1O ZINC001648598208 1353435396 /nfs/dbraw/zinc/43/53/96/1353435396.db2.gz WUYGVSCPXMQPIM-LBPRGKRZSA-N 0 0 333.315 2.499 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001651222470 1354045016 /nfs/dbraw/zinc/04/50/16/1354045016.db2.gz HBZJLODWYKVHTK-MRXNPFEDSA-N 0 0 330.315 2.046 10 10 EECERN CC(=O)N(C)c1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000785148353 760731311 /nfs/dbraw/zinc/73/13/11/760731311.db2.gz RPTGIFZIQXDLJD-UHFFFAOYSA-N 0 0 343.335 2.120 10 10 EECERN COC(=O)CC1CC(NC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000919082155 769575674 /nfs/dbraw/zinc/57/56/74/769575674.db2.gz VWPXQEWDJAZBIN-UHFFFAOYSA-N 0 0 333.432 2.202 10 10 EECERN COC(=O)C1CCC(S(=O)(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000919117749 769593740 /nfs/dbraw/zinc/59/37/40/769593740.db2.gz GPMLKXYUGMPVGT-HIFPTAJRSA-N 0 0 341.429 2.104 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2CCC(C)(C)O2)cc1 ZINC000785250280 769735197 /nfs/dbraw/zinc/73/51/97/769735197.db2.gz SYYJYBDXFROKQG-MRXNPFEDSA-N 0 0 348.443 2.212 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000921486590 773384573 /nfs/dbraw/zinc/38/45/73/773384573.db2.gz OTAYOAJMMHNLQM-CYBMUJFWSA-N 0 0 349.406 2.122 10 10 EECERN CCc1cccc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000846724931 790467703 /nfs/dbraw/zinc/46/77/03/790467703.db2.gz VLLNMFZWYMYOKY-UHFFFAOYSA-N 0 0 339.439 2.248 10 10 EECERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000069950628 778225499 /nfs/dbraw/zinc/22/54/99/778225499.db2.gz FZCVLYMSTKBVAG-GOSISDBHSA-N 0 0 343.471 2.332 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(n1)OCCO2 ZINC000846875472 790688384 /nfs/dbraw/zinc/68/83/84/790688384.db2.gz HXQUEZNDKFLYAR-UHFFFAOYSA-N 0 0 327.384 2.157 10 10 EECERN COC(=O)c1nc(C(=O)NCc2ccc(N(C)C)cc2C)cs1 ZINC000906713647 784096374 /nfs/dbraw/zinc/09/63/74/784096374.db2.gz CYGVPAYWKJLDHQ-UHFFFAOYSA-N 0 0 333.413 2.234 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000817123908 784519761 /nfs/dbraw/zinc/51/97/61/784519761.db2.gz JTGAKXSQQJKOAB-FAQJLRJSSA-N 0 0 334.372 2.236 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000817123910 784519789 /nfs/dbraw/zinc/51/97/89/784519789.db2.gz JTGAKXSQQJKOAB-LJXYTEIVSA-N 0 0 334.372 2.236 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(C2)CNC(=O)O3)cc1 ZINC000817678564 784915909 /nfs/dbraw/zinc/91/59/09/784915909.db2.gz AYADDCNLSCIJMO-UHFFFAOYSA-N 0 0 325.368 2.029 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]12C[C@H]1COC2(C)C ZINC000819974943 785727115 /nfs/dbraw/zinc/72/71/15/785727115.db2.gz WFWVPWSYYXKCHL-JXFKEZNVSA-N 0 0 344.455 2.297 10 10 EECERN CCC/C=C/[C@H](O)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001136336233 785901194 /nfs/dbraw/zinc/90/11/94/785901194.db2.gz ICJINSNRCOPHRJ-FZMUQLTDSA-N 0 0 332.444 2.451 10 10 EECERN CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C ZINC001136539750 787039891 /nfs/dbraw/zinc/03/98/91/787039891.db2.gz MUEONYLXYRZUEP-UHFFFAOYSA-N 0 0 349.391 2.446 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)NCc3cscn3)C2)cc1 ZINC000822896893 787448976 /nfs/dbraw/zinc/44/89/76/787448976.db2.gz PPEXLTCUGZYXFJ-CYBMUJFWSA-N 0 0 346.456 2.477 10 10 EECERN CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1 ZINC000187062007 788549648 /nfs/dbraw/zinc/54/96/48/788549648.db2.gz XFFUQIPBRMUEGQ-UHFFFAOYSA-N 0 0 348.424 2.478 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CC=CCC2)cc1 ZINC000785433293 788779404 /nfs/dbraw/zinc/77/94/04/788779404.db2.gz MDEJDJQWLTWBKF-INIZCTEOSA-N 0 0 329.444 2.184 10 10 EECERN CCC(C)(C)C(=O)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000913482195 788931597 /nfs/dbraw/zinc/93/15/97/788931597.db2.gz IJIBTZBWBYXDIV-UHFFFAOYSA-N 0 0 348.443 2.358 10 10 EECERN COc1ccc(N(C)C[C@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000844353590 789038002 /nfs/dbraw/zinc/03/80/02/789038002.db2.gz RSOYFLQRZDQVEC-AWEZNQCLSA-N 0 0 331.368 2.300 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000921537229 789118286 /nfs/dbraw/zinc/11/82/86/789118286.db2.gz OBFFONFCHZGUEL-GFCCVEGCSA-N 0 0 338.379 2.059 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2ccnn2C)c1O ZINC000844461357 789134399 /nfs/dbraw/zinc/13/43/99/789134399.db2.gz COXTULSMXCAVNR-MRXNPFEDSA-N 0 0 333.363 2.041 10 10 EECERN CC[C@H](OCCNC(=O)C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000846321674 790130600 /nfs/dbraw/zinc/13/06/00/790130600.db2.gz IMRWYUSICWXVSO-KRWDZBQOSA-N 0 0 341.411 2.491 10 10 EECERN CCc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)no1 ZINC001147275758 791778895 /nfs/dbraw/zinc/77/88/95/791778895.db2.gz CCRLSPVAGVPEQY-LBPRGKRZSA-N 0 0 331.372 2.340 10 10 EECERN Cc1nn(C)c(C)c1CCCNC(=O)NCc1c(O)cccc1F ZINC000921795175 796012851 /nfs/dbraw/zinc/01/28/51/796012851.db2.gz ATHHGKNTLFVVFT-UHFFFAOYSA-N 0 0 334.395 2.314 10 10 EECERN O=C(Cc1ccccc1O[C@@H]1CCOC1)NCc1cc(O)ccc1O ZINC001176755010 798570229 /nfs/dbraw/zinc/57/02/29/798570229.db2.gz KDRFIPNOTPFWPA-MRXNPFEDSA-N 0 0 343.379 2.124 10 10 EECERN O=C(NCc1c(O)cccc1O)c1nc(F)ccc1Br ZINC001178910350 799695860 /nfs/dbraw/zinc/69/58/60/799695860.db2.gz CUIFINRVWFNZCK-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3nccc(C)n3)CC2)cc1 ZINC000791560962 809311208 /nfs/dbraw/zinc/31/12/08/809311208.db2.gz KYLSJFRFDYUYHH-UHFFFAOYSA-N 0 0 326.400 2.192 10 10 EECERN Cc1ccc(CN(CCO)C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000792792203 809997799 /nfs/dbraw/zinc/99/77/99/809997799.db2.gz LCEMLBCNXDKAII-UHFFFAOYSA-N 0 0 331.416 2.358 10 10 EECERN COc1ccc(CNC(=O)CN(C)c2ccc(Cl)cn2)c(O)c1 ZINC000794383488 810809183 /nfs/dbraw/zinc/80/91/83/810809183.db2.gz PLHJDFDBUHZHCP-UHFFFAOYSA-N 0 0 335.791 2.202 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NC1CCOCC1 ZINC000804960623 811098729 /nfs/dbraw/zinc/09/87/29/811098729.db2.gz SJPARAZLPQJXPJ-UHFFFAOYSA-N 0 0 329.194 2.133 10 10 EECERN C[C@H](OCC(=O)NCc1ccc(N(C)C)c(F)c1)c1nccn1C ZINC000805171141 811169533 /nfs/dbraw/zinc/16/95/33/811169533.db2.gz JLBIWPIXDOIRNT-LBPRGKRZSA-N 0 0 334.395 2.019 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cnn(C)n1 ZINC000807571562 812269717 /nfs/dbraw/zinc/26/97/17/812269717.db2.gz YKIYYYRFROEIMM-UHFFFAOYSA-N 0 0 330.436 2.001 10 10 EECERN CC(=O)C(=O)COC(=O)COC(c1ccccc1)c1ccccc1 ZINC000808496397 812665048 /nfs/dbraw/zinc/66/50/48/812665048.db2.gz NKTOCYWVKHOFTN-UHFFFAOYSA-N 0 0 326.348 2.494 10 10 EECERN CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000808509448 812681416 /nfs/dbraw/zinc/68/14/16/812681416.db2.gz OVLKHVYZGJMMBH-UHFFFAOYSA-N 0 0 341.150 2.494 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC000808547392 812714645 /nfs/dbraw/zinc/71/46/45/812714645.db2.gz MEONAQMDWLMBTE-HNNXBMFYSA-N 0 0 349.383 2.262 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cccc2[nH]c(=O)[nH]c21 ZINC001451959428 1098061668 /nfs/dbraw/zinc/06/16/68/1098061668.db2.gz YESXELGJGVVUCQ-UHFFFAOYSA-N 0 0 334.335 2.452 10 10 EECERN Cc1ccc2nc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cn2c1 ZINC001447566625 1102876751 /nfs/dbraw/zinc/87/67/51/1102876751.db2.gz YSHSXACJLONDDK-LBPRGKRZSA-N 0 0 325.368 2.415 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)CC1CCC1 ZINC001494780632 1104362596 /nfs/dbraw/zinc/36/25/96/1104362596.db2.gz JHFMMUJQDBTCKF-NSHDSACASA-N 0 0 345.403 2.274 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)c1nc2c(cnn2C)c(=O)[nH]1 ZINC001458086127 1109830721 /nfs/dbraw/zinc/83/07/21/1109830721.db2.gz TZXSRCFIWCHRPP-UHFFFAOYSA-N 0 0 338.415 2.306 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001465955136 1110427027 /nfs/dbraw/zinc/42/70/27/1110427027.db2.gz XDGKYFPCJKKBNG-UHFFFAOYSA-N 0 0 348.742 2.012 10 10 EECERN Cc1nnc(-c2cccc(C(=O)NCc3cc(O)ccc3O)c2)o1 ZINC001471661631 1110527780 /nfs/dbraw/zinc/52/77/80/1110527780.db2.gz VVEAVNVONZJQIU-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN Cc1cc(C(=O)N(C)[C@@H]2COC[C@H]2O)c(C)n1-c1ccccc1C ZINC001471918817 1110535429 /nfs/dbraw/zinc/53/54/29/1110535429.db2.gz OOJILMZKMRAGRB-QZTJIDSGSA-N 0 0 328.412 2.234 10 10 EECERN CC[C@H](C)NC(=O)CCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001513165659 1118711244 /nfs/dbraw/zinc/71/12/44/1118711244.db2.gz BKLWIMFSQXXMSN-ZDUSSCGKSA-N 0 0 345.447 2.233 10 10 EECERN CCn1cccc1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001528642874 1121104739 /nfs/dbraw/zinc/10/47/39/1121104739.db2.gz WQASNIHXYSTICM-UHFFFAOYSA-N 0 0 343.427 2.488 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(=O)n(C)c1 ZINC001540487121 1124084179 /nfs/dbraw/zinc/08/41/79/1124084179.db2.gz NLPOSMOTXONTGO-UHFFFAOYSA-N 0 0 325.412 2.258 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001543716766 1124133944 /nfs/dbraw/zinc/13/39/44/1124133944.db2.gz KDSNTXOXQLCNOP-UHFFFAOYSA-N 0 0 326.360 2.240 10 10 EECERN CCc1nc(C)ncc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001543809498 1124135203 /nfs/dbraw/zinc/13/52/03/1124135203.db2.gz LJMAZAULHIFEJX-UHFFFAOYSA-N 0 0 340.427 2.114 10 10 EECERN CN(C)c1ncnc2c1cc(C(=O)N(C)Cc1ccccc1O)n2C ZINC001545501440 1124193702 /nfs/dbraw/zinc/19/37/02/1124193702.db2.gz WOEKFNPNYIHSGL-UHFFFAOYSA-N 0 0 339.399 2.012 10 10 EECERN CC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](O)C(F)F ZINC000297062263 529633491 /nfs/dbraw/zinc/63/34/91/529633491.db2.gz DDDAQIDHIZBWIC-HIFRSBDPSA-N 0 0 341.402 2.273 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCCNC2=O)c(C)n1-c1cccc(C)c1 ZINC000061633423 462593101 /nfs/dbraw/zinc/59/31/01/462593101.db2.gz ACMKDXBZKBBHID-KRWDZBQOSA-N 0 0 325.412 2.411 10 10 EECERN COC(=O)CCCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000069121317 463210192 /nfs/dbraw/zinc/21/01/92/463210192.db2.gz HTURNOOJFARWJG-UHFFFAOYSA-N 0 0 333.432 2.429 10 10 EECERN CCN(C)c1ccc(CNC(=O)CCSCC(=O)OC)cc1F ZINC000069622101 463288859 /nfs/dbraw/zinc/28/88/59/463288859.db2.gz LJWOLHGKEOZBDZ-UHFFFAOYSA-N 0 0 342.436 2.194 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000097029978 463305110 /nfs/dbraw/zinc/30/51/10/463305110.db2.gz TXHVAMIUWBQJJD-HYXAFXHYSA-N 0 0 348.355 2.124 10 10 EECERN Nc1ccc(CC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000161563732 463439497 /nfs/dbraw/zinc/43/94/97/463439497.db2.gz XGISKWVOLWIDQL-KRWDZBQOSA-N 0 0 329.444 2.109 10 10 EECERN O=C(/C=C/c1cnccn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269788693 464095105 /nfs/dbraw/zinc/09/51/05/464095105.db2.gz ITTHDQNBLCWSQQ-IWAYRVGRSA-N 0 0 339.395 2.403 10 10 EECERN CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(O)c3)c2)CC1 ZINC000187131841 464101034 /nfs/dbraw/zinc/10/10/34/464101034.db2.gz NIIOWSBMOFRPDO-UHFFFAOYSA-N 0 0 339.395 2.313 10 10 EECERN CO[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000290901335 464136040 /nfs/dbraw/zinc/13/60/40/464136040.db2.gz HWQUCKMDBLVHFH-CABCVRRESA-N 0 0 335.448 2.088 10 10 EECERN [O-]c1cc(F)c(Cl)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000294238436 464440889 /nfs/dbraw/zinc/44/08/89/464440889.db2.gz MSPYRHYBIQGBQM-LBPRGKRZSA-N 0 0 328.815 2.339 10 10 EECERN C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000285653426 464644412 /nfs/dbraw/zinc/64/44/12/464644412.db2.gz HBWZFEKTSILSGX-GFCCVEGCSA-N 0 0 335.423 2.203 10 10 EECERN Cc1ccc(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c(O)c1O ZINC000182588605 464689554 /nfs/dbraw/zinc/68/95/54/464689554.db2.gz RTXOHQZZDMDOEP-GFCCVEGCSA-N 0 0 330.388 2.386 10 10 EECERN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1N1CCOCC1 ZINC000248806729 464804051 /nfs/dbraw/zinc/80/40/51/464804051.db2.gz BQCFZLDFWFSVRZ-SMDDNHRTSA-N 0 0 328.815 2.337 10 10 EECERN COc1cc(Cl)cc(CN2CCS(=O)(=O)C(C)(C)C2)c1O ZINC000184699765 465020036 /nfs/dbraw/zinc/02/00/36/465020036.db2.gz MUNMQDKYAQRITE-UHFFFAOYSA-N 0 0 333.837 2.063 10 10 EECERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc2c(cc1O)OCO2 ZINC000361997596 466471716 /nfs/dbraw/zinc/47/17/16/466471716.db2.gz ORBCOEGHKBRUHH-AWEZNQCLSA-N 0 0 345.399 2.045 10 10 EECERN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000362076638 466536584 /nfs/dbraw/zinc/53/65/84/466536584.db2.gz HOHHXVAOTGBXMA-BLLLJJGKSA-N 0 0 334.391 2.225 10 10 EECERN Cc1cncn1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000528881467 467771724 /nfs/dbraw/zinc/77/17/24/467771724.db2.gz HORSHNAABMFJEX-MRXNPFEDSA-N 0 0 329.400 2.105 10 10 EECERN C[C@H]1Oc2ccc(C(=O)COC(=O)C3=CC(=O)CS3)cc2NC1=O ZINC000732352939 577174521 /nfs/dbraw/zinc/17/45/21/577174521.db2.gz IKRMBKCRSMFBCB-MRVPVSSYSA-N 0 0 347.348 2.213 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(COC(=O)/C=C\C(C)(C)C)cc2=O ZINC000732403675 577178584 /nfs/dbraw/zinc/17/85/84/577178584.db2.gz CHWHAHUCTZRGBD-SREVYHEPSA-N 0 0 347.371 2.257 10 10 EECERN C[C@H](NC(=O)C1(N2CCOCC2)CCC1)c1ccc(N(C)C)cc1 ZINC000773014999 577310402 /nfs/dbraw/zinc/31/04/02/577310402.db2.gz MQJVIEWRPMMEHL-HNNXBMFYSA-N 0 0 331.460 2.185 10 10 EECERN COc1cc(C)c(NC(=O)C(=O)NCc2ccccc2O)cc1C ZINC000773148819 577319110 /nfs/dbraw/zinc/31/91/10/577319110.db2.gz IEUDALGGEADZHA-UHFFFAOYSA-N 0 0 328.368 2.273 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCSC[C@H]1CCO ZINC000775433864 577437151 /nfs/dbraw/zinc/43/71/51/577437151.db2.gz JDYNKYCLXBCUQT-QGZVFWFLSA-N 0 0 347.484 2.072 10 10 EECERN CCOC[C@H](C)NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000777696624 577484969 /nfs/dbraw/zinc/48/49/69/577484969.db2.gz YKJMNMQENFVUBW-ZDUSSCGKSA-N 0 0 339.411 2.091 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Cn2cnc3c2CCCC3)c1 ZINC000758059007 577615338 /nfs/dbraw/zinc/61/53/38/577615338.db2.gz ZFMUYBQZTXYEFN-LBPRGKRZSA-N 0 0 329.400 2.354 10 10 EECERN CN(Cc1ccccc1O)S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000751234897 577749554 /nfs/dbraw/zinc/74/95/54/577749554.db2.gz BMBLHTAIAJOSLV-UHFFFAOYSA-N 0 0 332.425 2.205 10 10 EECERN COc1cccc(CS(=O)(=O)NCc2cc(OC)ccc2O)c1 ZINC000751415764 577751960 /nfs/dbraw/zinc/75/19/60/577751960.db2.gz WUWJPJKABKBNOT-UHFFFAOYSA-N 0 0 337.397 2.029 10 10 EECERN O=C([C@@H](O)C1CCOCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000752087400 577765947 /nfs/dbraw/zinc/76/59/47/577765947.db2.gz QOHTVLLLRBIMSM-SFHVURJKSA-N 0 0 345.395 2.302 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)NCc3cn[nH]n3)c2C)cc1 ZINC000748056661 577954223 /nfs/dbraw/zinc/95/42/23/577954223.db2.gz CXTFDZMIWXKKCV-UHFFFAOYSA-N 0 0 325.372 2.151 10 10 EECERN Cc1c(CC(=O)NCc2ccccc2O)nnn1-c1ccc(C)cc1 ZINC000748344772 577959658 /nfs/dbraw/zinc/95/96/58/577959658.db2.gz BXHMWTGXQZCQNS-UHFFFAOYSA-N 0 0 336.395 2.449 10 10 EECERN CCOC(=O)[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1 ZINC000750049338 577986304 /nfs/dbraw/zinc/98/63/04/577986304.db2.gz YEYBIIDZHADUSD-CQSZACIVSA-N 0 0 341.791 2.012 10 10 EECERN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724544625 678386095 /nfs/dbraw/zinc/38/60/95/678386095.db2.gz MATUQGUJNADRFF-CDMKHQONSA-N 0 0 346.196 2.187 10 10 EECERN C[N@@H+]1C[C@H]2CCN(Cc3cc(Br)cc(F)c3[O-])[C@H]2C1 ZINC000894843796 683183067 /nfs/dbraw/zinc/18/30/67/683183067.db2.gz YSBDQQZCWSXKPK-RNCFNFMXSA-N 0 0 329.213 2.430 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC000924147926 684711539 /nfs/dbraw/zinc/71/15/39/684711539.db2.gz GRLVBTUYJWSHKB-UHFFFAOYSA-N 0 0 347.367 2.299 10 10 EECERN CCn1cc([N+](=O)[O-])c(C(=O)NCCCSc2nccs2)n1 ZINC000191813117 684764784 /nfs/dbraw/zinc/76/47/84/684764784.db2.gz ORFVFAQJDUJAFV-UHFFFAOYSA-N 0 0 341.418 2.180 10 10 EECERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928711629 687127395 /nfs/dbraw/zinc/12/73/95/687127395.db2.gz JZGDSUZNHVTUSF-ZWNOBZJWSA-N 0 0 340.420 2.095 10 10 EECERN COCCOCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897785373 691782237 /nfs/dbraw/zinc/78/22/37/691782237.db2.gz CQEKSQONDWQTFZ-UHFFFAOYSA-N 0 0 325.386 2.048 10 10 EECERN CC(=O)c1cn(C2CN(C/C=C/c3ccc(N(C)C)cc3)C2)nn1 ZINC000897940685 691830054 /nfs/dbraw/zinc/83/00/54/691830054.db2.gz WTIVNRLJLDCNLV-SNAWJCMRSA-N 0 0 325.416 2.117 10 10 EECERN O=C(N[C@@H]1CCCC12OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000898955340 693541867 /nfs/dbraw/zinc/54/18/67/693541867.db2.gz KKZAACVRNSFCKF-CQSZACIVSA-N 0 0 335.381 2.338 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC(c3ccccn3)=NO2)cc1 ZINC000905448013 1189720229 /nfs/dbraw/zinc/72/02/29/1189720229.db2.gz LDZDEUBWDIFMDM-GOSISDBHSA-N 0 0 338.411 2.299 10 10 EECERN C[C@@H]1[C@@H](NC(=O)c2cccc(O)c2O)CCN1C(=O)OC(C)(C)C ZINC000863721556 1197837189 /nfs/dbraw/zinc/83/71/89/1197837189.db2.gz SBZWZBCJOYXTCN-PWSUYJOCSA-N 0 0 336.388 2.226 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cnccc1C(F)(F)F ZINC001137464880 1248640964 /nfs/dbraw/zinc/64/09/64/1248640964.db2.gz ULWRRXPIASPQON-UHFFFAOYSA-N 0 0 326.274 2.484 10 10 EECERN CCN(CC(F)(F)F)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000869444339 1200085985 /nfs/dbraw/zinc/08/59/85/1200085985.db2.gz ZCKWGVRUJXNPSY-GQCTYLIASA-N 0 0 347.289 2.065 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CC2(CO1)CCOCC2 ZINC000869443029 1200086003 /nfs/dbraw/zinc/08/60/03/1200086003.db2.gz IVZSLTUMVVMJDN-XBPVQUQDSA-N 0 0 334.368 2.240 10 10 EECERN O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ccc(N2CCOCC2)cc1 ZINC000877889702 1200148390 /nfs/dbraw/zinc/14/83/90/1200148390.db2.gz NZTGNCSLWJIKTA-UHFFFAOYSA-N 0 0 349.774 2.295 10 10 EECERN C[C@@H](NC(=O)N1CC[C@@H](O)C1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000812878814 1200964568 /nfs/dbraw/zinc/96/45/68/1200964568.db2.gz IDAMIIJLPZXHBI-RHSMWYFYSA-N 0 0 347.459 2.139 10 10 EECERN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1N1CCNC1=O ZINC000871200780 1201096754 /nfs/dbraw/zinc/09/67/54/1201096754.db2.gz IUEWQZGKKILLOP-UHFFFAOYSA-N 0 0 337.379 2.386 10 10 EECERN O=C([C@H]1CN(Cc2ccccc2)CCO1)N1Cc2cccc(O)c2C1 ZINC000871203097 1201098398 /nfs/dbraw/zinc/09/83/98/1201098398.db2.gz SFMVBXNAJUQZTG-LJQANCHMSA-N 0 0 338.407 2.135 10 10 EECERN OC[C@@H]1CCCCN1c1cc(N2Cc3cccc(O)c3C2)ncn1 ZINC000866117294 1201438535 /nfs/dbraw/zinc/43/85/35/1201438535.db2.gz KGHJTGSTNIZVSP-AWEZNQCLSA-N 0 0 326.400 2.054 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC([C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000866135741 1201443474 /nfs/dbraw/zinc/44/34/74/1201443474.db2.gz DCZWRVFEFTUCCI-TXNVCOODSA-N 0 0 334.372 2.378 10 10 EECERN Cc1cn2cc(CC(=O)NCCc3ccc(O)c(O)c3)nc2s1 ZINC000866757407 1201598685 /nfs/dbraw/zinc/59/86/85/1201598685.db2.gz SUDVSYFXGWXHTG-UHFFFAOYSA-N 0 0 331.397 2.017 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(CC(C)C)CCNC2=O)c1 ZINC000866764460 1201600417 /nfs/dbraw/zinc/60/04/17/1201600417.db2.gz MRAMZEVWDURNNH-XIKOKIGWSA-N 0 0 334.416 2.130 10 10 EECERN COC(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000867502675 1201623935 /nfs/dbraw/zinc/62/39/35/1201623935.db2.gz AEIUDPCHQLVOKH-ZDUSSCGKSA-N 0 0 341.411 2.354 10 10 EECERN CO[C@H](CS(=O)(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000867691418 1201660148 /nfs/dbraw/zinc/66/01/48/1201660148.db2.gz WBDFRULCZDPSMS-QGZVFWFLSA-N 0 0 333.409 2.425 10 10 EECERN Cc1cc(CC(=O)N2CCn3cnnc3C2)c(C)n1-c1ccccc1 ZINC000826627996 1204602377 /nfs/dbraw/zinc/60/23/77/1204602377.db2.gz WVMQWXOOQRQRPL-UHFFFAOYSA-N 0 0 335.411 2.271 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000928711730 1206413956 /nfs/dbraw/zinc/41/39/56/1206413956.db2.gz OPYNMUMTXKZSDR-CQSZACIVSA-N 0 0 342.370 2.310 10 10 EECERN O[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093611854 1214909659 /nfs/dbraw/zinc/90/96/59/1214909659.db2.gz SQWGAEYDJFQSIR-OAHLLOKOSA-N 0 0 348.340 2.161 10 10 EECERN CN(C)c1ccc(CN(C(=O)/C=C/Cn2cncn2)C2CC2)cc1 ZINC000900123115 1234030827 /nfs/dbraw/zinc/03/08/27/1234030827.db2.gz CSPQPLFTAJOPGO-ONEGZZNKSA-N 0 0 325.416 2.092 10 10 EECERN c1c(CN2CCCCC2)nnn1Cc1ccc(N2CCOCC2)cc1 ZINC000900602044 1234548418 /nfs/dbraw/zinc/54/84/18/1234548418.db2.gz SJHFMXDRRSICRA-UHFFFAOYSA-N 0 0 341.459 2.149 10 10 EECERN C[C@H](Cn1ncc2ccccc21)C(=O)NCCc1ccc(O)c(O)c1 ZINC000802778517 1238203927 /nfs/dbraw/zinc/20/39/27/1238203927.db2.gz DKDQLZWJOZTBBZ-CYBMUJFWSA-N 0 0 339.395 2.443 10 10 EECERN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000827164894 1250320469 /nfs/dbraw/zinc/32/04/69/1250320469.db2.gz RUTRXYFAFSUBBG-SKDRFNHKSA-N 0 0 333.837 2.110 10 10 EECERN COC[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1 ZINC000850350830 1277194150 /nfs/dbraw/zinc/19/41/50/1277194150.db2.gz ICZJFBOEGJBZDO-CYBMUJFWSA-N 0 0 344.795 2.485 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000850625263 1277284485 /nfs/dbraw/zinc/28/44/85/1277284485.db2.gz CDGWHGWWUSOABV-GOEBONIOSA-N 0 0 348.443 2.205 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3sc(N)nc3C)C2)cc1 ZINC000851640491 1277696840 /nfs/dbraw/zinc/69/68/40/1277696840.db2.gz WGQLAOISPPIGTB-LLVKDONJSA-N 0 0 332.429 2.051 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3nc(C)no3)C2)cc1 ZINC000852190955 1292033284 /nfs/dbraw/zinc/03/32/84/1292033284.db2.gz ISGOXGDYMPQVMR-YPMHNXCESA-N 0 0 345.403 2.026 10 10 EECERN CC1(C)SC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852313738 1292088049 /nfs/dbraw/zinc/08/80/49/1292088049.db2.gz MFGPOBRXBIUWNW-INIZCTEOSA-N 0 0 349.500 2.341 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CSC[C@@H]3C)C2)cc1 ZINC000852326859 1292094089 /nfs/dbraw/zinc/09/40/89/1292094089.db2.gz SBQUZVMCBNIGIB-HEHGZKQESA-N 0 0 335.473 2.325 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(C)OC[C@@H]3C)C2)cc1 ZINC000852452442 1292117575 /nfs/dbraw/zinc/11/75/75/1292117575.db2.gz XSVPHQLNMKCIMJ-GJZGRUSLSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCSC[C@H]3C)C2)cc1 ZINC000852452653 1292117919 /nfs/dbraw/zinc/11/79/19/1292117919.db2.gz BURQICWHPDTRSO-ZIAGYGMSSA-N 0 0 335.473 2.421 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@H](C4CC4)C3)C2)cc1 ZINC000852451993 1292117977 /nfs/dbraw/zinc/11/79/77/1292117977.db2.gz SERUGNXSFSTCCB-QAPCUYQASA-N 0 0 345.443 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](O)C(C)(C)C3)C2)cc1 ZINC000854297251 1292708792 /nfs/dbraw/zinc/70/87/92/1292708792.db2.gz LIDQRAMTNNIRBQ-PBHICJAKSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@](C)(O)CC3)C2)cc1 ZINC000854297053 1292709358 /nfs/dbraw/zinc/70/93/58/1292709358.db2.gz JBKMZHUXSDPLSR-KXBFYZLASA-N 0 0 347.459 2.220 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@]34C[C@H]3COC4(C)C)C2)cc1 ZINC000854980400 1293019608 /nfs/dbraw/zinc/01/96/08/1293019608.db2.gz AJRODWGZWLNWAS-SIFCLUCFSA-N 0 0 344.455 2.453 10 10 EECERN CCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000855223604 1293116743 /nfs/dbraw/zinc/11/67/43/1293116743.db2.gz BEWXRFYKSCXPIN-OAHLLOKOSA-N 0 0 328.416 2.310 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cn3cc(C4CC4)cn3)C2)cc1 ZINC000855224935 1293117323 /nfs/dbraw/zinc/11/73/23/1293117323.db2.gz IIHRDHLZZZTHFH-MRXNPFEDSA-N 0 0 340.427 2.164 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C3=C(C)OCCS3)C2)cc1 ZINC000855226584 1293118855 /nfs/dbraw/zinc/11/88/55/1293118855.db2.gz QVCADGVMEXOCCG-CYBMUJFWSA-N 0 0 334.441 2.385 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccnn3C(F)F)C2)cc1 ZINC000855226349 1293119020 /nfs/dbraw/zinc/11/90/20/1293119020.db2.gz RKWXZKOVQAOQLZ-LLVKDONJSA-N 0 0 336.342 2.296 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3csc4cncn43)C2)cc1 ZINC000855231988 1293121892 /nfs/dbraw/zinc/12/18/92/1293121892.db2.gz PIGHTDDUINNMNH-LBPRGKRZSA-N 0 0 342.424 2.413 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000855233963 1293123128 /nfs/dbraw/zinc/12/31/28/1293123128.db2.gz QABXCKBDGKKVRL-LBPRGKRZSA-N 0 0 342.355 2.007 10 10 EECERN CO[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000856209544 1293445455 /nfs/dbraw/zinc/44/54/55/1293445455.db2.gz RUZUBNHOKHQGRO-GOSISDBHSA-N 0 0 332.444 2.079 10 10 EECERN C[C@@H](NC(=O)C(C)(C)c1c[nH]cn1)c1ccc(N2CCOCC2)cc1 ZINC000857046239 1293706730 /nfs/dbraw/zinc/70/67/30/1293706730.db2.gz ARRJXSUOOWSYRK-CQSZACIVSA-N 0 0 342.443 2.401 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cncc(Cl)n3)C2)cc1 ZINC000857302591 1293787487 /nfs/dbraw/zinc/78/74/87/1293787487.db2.gz WAQBYQMJSGPKOE-NSHDSACASA-N 0 0 332.791 2.147 10 10 EECERN CCN1CN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1=O ZINC000861306613 1295333397 /nfs/dbraw/zinc/33/33/97/1295333397.db2.gz YMYDFJWCMCQZLL-UHFFFAOYSA-N 0 0 339.395 2.168 10 10 EECERN COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(Cl)ccc1O ZINC000862516200 1295863966 /nfs/dbraw/zinc/86/39/66/1295863966.db2.gz MMWFGXPOPPXWIR-BXUZGUMPSA-N 0 0 327.808 2.494 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](O)[C@@H]2CCCO2)cc1 ZINC000862650738 1295916867 /nfs/dbraw/zinc/91/68/67/1295916867.db2.gz UYLJLILDPRIKOH-ROUUACIJSA-N 0 0 328.412 2.364 10 10 EECERN C/C=C/C[C@@H]1CCC[N@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000863477281 1296301082 /nfs/dbraw/zinc/30/10/82/1296301082.db2.gz YTUGRHKQTMRNQS-QAVQXKDTSA-N 0 0 330.388 2.311 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc2c(c1)CCCC(=O)N2 ZINC001142530504 1315652705 /nfs/dbraw/zinc/65/27/05/1315652705.db2.gz QDTOKHFARPUMEY-UHFFFAOYSA-N 0 0 326.352 2.303 10 10 EECERN COC(=O)[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccnn1C ZINC000843430207 1315913541 /nfs/dbraw/zinc/91/35/41/1315913541.db2.gz PGFIQPHHNQXKCA-GOSISDBHSA-N 0 0 342.443 2.414 10 10 EECERN Cc1cc(CC(=O)N[C@@H](CO)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001152915665 1316743293 /nfs/dbraw/zinc/74/32/93/1316743293.db2.gz SUWICOZHEXTRQP-LPHOPBHVSA-N 0 0 342.439 2.150 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cn(-c2cccc(Cl)c2)nn1 ZINC001153797906 1316885856 /nfs/dbraw/zinc/88/58/56/1316885856.db2.gz HQBPNBWLKXIQJC-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN CCC(=O)N1CC[C@@H](C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001157042042 1318364409 /nfs/dbraw/zinc/36/44/09/1318364409.db2.gz UYMAUCDFAATVMQ-CQSZACIVSA-N 0 0 326.396 2.420 10 10 EECERN Cc1cc(CC(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001157294307 1318550779 /nfs/dbraw/zinc/55/07/79/1318550779.db2.gz SOBFJHMLTSLIMF-QRQLOZEOSA-N 0 0 342.439 2.027 10 10 EECERN CCc1noc([C@H]2CC[C@H](NC(=O)NCc3ccccc3O)C2)n1 ZINC001255966474 1318580232 /nfs/dbraw/zinc/58/02/32/1318580232.db2.gz OHDHZJXXGBWOGW-AAEUAGOBSA-N 0 0 330.388 2.473 10 10 EECERN CCc1noc([C@@H]2CC[C@@H](NC(=O)NCc3ccccc3O)C2)n1 ZINC001255966475 1318580483 /nfs/dbraw/zinc/58/04/83/1318580483.db2.gz OHDHZJXXGBWOGW-DGCLKSJQSA-N 0 0 330.388 2.473 10 10 EECERN NC(=O)c1cccc(OCCC(=O)NCc2cccc(Cl)c2O)c1 ZINC001159033625 1319572145 /nfs/dbraw/zinc/57/21/45/1319572145.db2.gz LCQSKFREMUODTQ-UHFFFAOYSA-N 0 0 348.786 2.230 10 10 EECERN COC(=O)c1c(CNCc2csnn2)c2cc(F)ccc2n1C ZINC001262112904 1322237066 /nfs/dbraw/zinc/23/70/66/1322237066.db2.gz WQNQCLOSWBWXLO-UHFFFAOYSA-N 0 0 334.376 2.245 10 10 EECERN Cc1nn(CC2CC2)c(C)c1CC(=O)NCc1cccc(O)c1O ZINC001263894608 1322549248 /nfs/dbraw/zinc/54/92/48/1322549248.db2.gz OASDZUFUXYVQNS-UHFFFAOYSA-N 0 0 329.400 2.180 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1O[C@@H]1CCOC1 ZINC001294663749 1329114640 /nfs/dbraw/zinc/11/46/40/1329114640.db2.gz FOBWMYAOZYCRQD-CYBMUJFWSA-N 0 0 329.352 2.447 10 10 EECERN C/C=C(/C)C(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001492314589 1331151165 /nfs/dbraw/zinc/15/11/65/1331151165.db2.gz GYEFLMWLURAIOP-RABQWEHASA-N 0 0 345.403 2.394 10 10 EECERN CON(C)c1nnc(C2CC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001302344126 1331323963 /nfs/dbraw/zinc/32/39/63/1331323963.db2.gz SXZWOEODKDKBKG-UHFFFAOYSA-N 0 0 343.431 2.038 10 10 EECERN CO[C@@H]1CCN(c2nnc(C)n2CCCSc2nccs2)C1 ZINC001302363398 1331325187 /nfs/dbraw/zinc/32/51/87/1331325187.db2.gz DKDWQVUCAPMCLR-GFCCVEGCSA-N 0 0 339.490 2.451 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC001318882497 1332617138 /nfs/dbraw/zinc/61/71/38/1332617138.db2.gz RYUCVTOLRDUDQV-YWJGEGNSSA-N 0 0 346.383 2.378 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)C(F)(F)F ZINC001324866514 1333777112 /nfs/dbraw/zinc/77/71/12/1333777112.db2.gz FKLLDGSRKROPMU-UHFFFAOYSA-N 0 0 332.322 2.055 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@](C)(CO)C3)C2)cc1 ZINC001327761617 1334343376 /nfs/dbraw/zinc/34/33/76/1334343376.db2.gz NWXIVYQGZHJCOT-BEFAXECRSA-N 0 0 347.459 2.078 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c[nH]cc(Cl)c3=O)C2)cc1 ZINC001329589109 1334679689 /nfs/dbraw/zinc/67/96/89/1334679689.db2.gz RXAMRROHHRHOHF-NSHDSACASA-N 0 0 347.802 2.046 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCCC23CC3)cc1 ZINC001331572358 1335039047 /nfs/dbraw/zinc/03/90/47/1335039047.db2.gz XBZZKGSHQFBMOO-INIZCTEOSA-N 0 0 343.471 2.408 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C(C)(C)OC)cc1 ZINC001332628372 1335866424 /nfs/dbraw/zinc/86/64/24/1335866424.db2.gz PKVJOWIMWYVJNJ-AWEZNQCLSA-N 0 0 349.475 2.079 10 10 EECERN O=C(NCCC1CC=CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001333798004 1336135561 /nfs/dbraw/zinc/13/55/61/1336135561.db2.gz BQKRNFWMTDKKGJ-UHFFFAOYSA-N 0 0 341.455 2.376 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@]23C[C@H]2CCC3)cc1 ZINC001333799995 1336136090 /nfs/dbraw/zinc/13/60/90/1336136090.db2.gz MCVIBWVHSCBUBN-UZLBHIALSA-N 0 0 343.471 2.455 10 10 EECERN Cn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1C=O ZINC001334825982 1336301055 /nfs/dbraw/zinc/30/10/55/1336301055.db2.gz BRNPUBDNBSNSFI-UHFFFAOYSA-N 0 0 343.452 2.321 10 10 EECERN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccsc3)C2)cc1 ZINC000849417713 1339156390 /nfs/dbraw/zinc/15/63/90/1339156390.db2.gz YNXCQSHEFDDDRF-LBPRGKRZSA-N 0 0 338.454 2.314 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CC(=O)N2C ZINC001611469290 1352301279 /nfs/dbraw/zinc/30/12/79/1352301279.db2.gz MCJCUAVVVJIFIW-LLVKDONJSA-N 0 0 340.379 2.037 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC(F)(F)CO1 ZINC001612537477 1352308665 /nfs/dbraw/zinc/30/86/65/1352308665.db2.gz GEIZKLVZXGCUMY-ZDUSSCGKSA-N 0 0 338.358 2.353 10 10 EECERN COC(=O)CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001615299774 1352323929 /nfs/dbraw/zinc/32/39/29/1352323929.db2.gz WBZNAQKQPRPYRS-OAHLLOKOSA-N 0 0 343.379 2.451 10 10 EECERN O=C(NCc1ccccc1O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001565223211 1342553554 /nfs/dbraw/zinc/55/35/54/1342553554.db2.gz ZFLBXQJEBFHVGY-CYBMUJFWSA-N 0 0 326.352 2.225 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@H](O)c3cnn(C)c3)cc2)CC1 ZINC001585541161 1348806496 /nfs/dbraw/zinc/80/64/96/1348806496.db2.gz WAEYFGQWXBAOJA-GOSISDBHSA-N 0 0 342.443 2.006 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001587733396 1348870539 /nfs/dbraw/zinc/87/05/39/1348870539.db2.gz KODBNZBMVFZLOE-UHFFFAOYSA-N 0 0 340.379 2.305 10 10 EECERN COc1cccc(CNC(=O)c2cc(F)c(OC)c(F)c2N)c1O ZINC001622779926 1352389152 /nfs/dbraw/zinc/38/91/52/1352389152.db2.gz YQEAKJBSVGKYGI-UHFFFAOYSA-N 0 0 338.310 2.200 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1N1CCCC1=O ZINC001624636076 1352426420 /nfs/dbraw/zinc/42/64/20/1352426420.db2.gz YIDKVVQWNHOVQU-UHFFFAOYSA-N 0 0 326.352 2.406 10 10 EECERN COC(=O)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001626635600 1352469037 /nfs/dbraw/zinc/46/90/37/1352469037.db2.gz BYMFXXFGRYYNIM-UHFFFAOYSA-N 0 0 330.300 2.159 10 10 EECERN O=C(Cc1cncn1Cc1ccccc1)NCc1cc(O)ccc1O ZINC001644753717 1352768045 /nfs/dbraw/zinc/76/80/45/1352768045.db2.gz GUYCJCUDOKAVEJ-UHFFFAOYSA-N 0 0 337.379 2.202 10 10 EECERN COCCOc1cc(OC)ccc1C(=O)NCc1c(O)cccc1O ZINC001652625896 1354097245 /nfs/dbraw/zinc/09/72/45/1354097245.db2.gz NBFJCCUEQOLVKQ-UHFFFAOYSA-N 0 0 347.367 2.062 10 10 EECERN CCOCc1nc([C@H](C)NC(=O)NCc2c(O)cccc2F)no1 ZINC001681647863 1358048983 /nfs/dbraw/zinc/04/89/83/1358048983.db2.gz XDBBQMKKOPBCKJ-VIFPVBQESA-N 0 0 338.339 2.011 10 10 EECERN CS(=O)(=O)c1ccccc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC001682035240 1358119851 /nfs/dbraw/zinc/11/98/51/1358119851.db2.gz VRKOJYCMLRLSFG-UHFFFAOYSA-N 0 0 346.408 2.021 10 10 EECERN C[C@@](CO)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(O)cc1 ZINC001143500420 765089822 /nfs/dbraw/zinc/08/98/22/765089822.db2.gz PZJYVDMUKQYLLW-KRWDZBQOSA-N 0 0 342.355 2.192 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1OC ZINC000920418565 770699899 /nfs/dbraw/zinc/69/98/99/770699899.db2.gz KSNINFAXUZIDGZ-CVEARBPZSA-N 0 0 348.443 2.310 10 10 EECERN Cc1ccn2ncc(C(=O)NCc3ccc4c(c3)CCCN4C)c2n1 ZINC000068674645 774785839 /nfs/dbraw/zinc/78/58/39/774785839.db2.gz YUWKXYAOIRRRAF-UHFFFAOYSA-N 0 0 335.411 2.350 10 10 EECERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000906419144 783908804 /nfs/dbraw/zinc/90/88/04/783908804.db2.gz HREWDSCBHIABDH-IDCJVQTKSA-N 0 0 332.444 2.371 10 10 EECERN CC[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000817157205 784548063 /nfs/dbraw/zinc/54/80/63/784548063.db2.gz ZWQTYHBABJOJAI-WMZOPIPTSA-N 0 0 347.459 2.280 10 10 EECERN COc1ccc(N2CCCN(C(=O)[C@@H](C)c3ccnn3C)CC2)cc1 ZINC000817428789 784781575 /nfs/dbraw/zinc/78/15/75/784781575.db2.gz WIFQFHAEQMKNCJ-HNNXBMFYSA-N 0 0 342.443 2.271 10 10 EECERN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000819974600 785727477 /nfs/dbraw/zinc/72/74/77/785727477.db2.gz PYOGIJPPHNARIA-GOSISDBHSA-N 0 0 332.444 2.297 10 10 EECERN CO[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000822688862 787341373 /nfs/dbraw/zinc/34/13/73/787341373.db2.gz VYVWVKJUYAOHCJ-GJZGRUSLSA-N 0 0 336.407 2.094 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1coc2c1C(=O)NCCC2 ZINC000911898953 787784108 /nfs/dbraw/zinc/78/41/08/787784108.db2.gz SVKSSTXTSAKZIC-UHFFFAOYSA-N 0 0 334.759 2.245 10 10 EECERN CN=[S@@](C)(=O)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000912781297 788361587 /nfs/dbraw/zinc/36/15/87/788361587.db2.gz IQYCJAJPDFLZCF-DEOSSOPVSA-N 0 0 347.484 2.480 10 10 EECERN Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000846106738 790063784 /nfs/dbraw/zinc/06/37/84/790063784.db2.gz FHJWISYDDZNJNE-AWEZNQCLSA-N 0 0 329.356 2.166 10 10 EECERN COc1nn(C)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000789322658 807946171 /nfs/dbraw/zinc/94/61/71/807946171.db2.gz GKHDWOVKHVRQHA-UHFFFAOYSA-N 0 0 327.388 2.127 10 10 EECERN Cc1c(CN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1C ZINC000790689703 808873538 /nfs/dbraw/zinc/87/35/38/808873538.db2.gz NZYBQTKTZUFXQC-UHFFFAOYSA-N 0 0 333.411 2.275 10 10 EECERN Cc1ccnc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000792066376 809558997 /nfs/dbraw/zinc/55/89/97/809558997.db2.gz GEVURVFTQZCTNB-UHFFFAOYSA-N 0 0 328.441 2.268 10 10 EECERN Cc1ccnc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000792274950 809691572 /nfs/dbraw/zinc/69/15/72/809691572.db2.gz XNCJNNDBPWFZAA-OAHLLOKOSA-N 0 0 327.384 2.312 10 10 EECERN COc1ccc(CNC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c(O)c1 ZINC000792961162 810090192 /nfs/dbraw/zinc/09/01/92/810090192.db2.gz RWHWLNWTPPSBBE-LLVKDONJSA-N 0 0 346.431 2.182 10 10 EECERN CC(C)n1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)nn1 ZINC000794239861 810726165 /nfs/dbraw/zinc/72/61/65/810726165.db2.gz WBFTXEGFTWSSHU-UHFFFAOYSA-N 0 0 345.472 2.342 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000808499392 812668433 /nfs/dbraw/zinc/66/84/33/812668433.db2.gz VRTWEEHXJOGTTH-NSHDSACASA-N 0 0 348.355 2.146 10 10 EECERN CCCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1cccc(F)c1 ZINC000808536374 812706903 /nfs/dbraw/zinc/70/69/03/812706903.db2.gz QECIOZXSIRHFBZ-UHFFFAOYSA-N 0 0 332.331 2.279 10 10 EECERN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001450893378 1095429247 /nfs/dbraw/zinc/42/92/47/1095429247.db2.gz IXZUWYWSIHQOKN-GOSISDBHSA-N 0 0 335.400 2.221 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cncc(F)c1 ZINC001451918566 1098032320 /nfs/dbraw/zinc/03/23/20/1098032320.db2.gz PDMSFFNPGUTAJS-UHFFFAOYSA-N 0 0 332.331 2.132 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1 ZINC001463929771 1110383841 /nfs/dbraw/zinc/38/38/41/1110383841.db2.gz NKAIYFGMNXFCRF-UHFFFAOYSA-N 0 0 341.375 2.097 10 10 EECERN CCN1C[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1=O ZINC001468283371 1110471783 /nfs/dbraw/zinc/47/17/83/1110471783.db2.gz GYZWYRVTYIKWBR-MRXNPFEDSA-N 0 0 325.412 2.445 10 10 EECERN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC001469161356 1110486179 /nfs/dbraw/zinc/48/61/79/1110486179.db2.gz YSMWMYRSMKLABL-LBPRGKRZSA-N 0 0 338.363 2.229 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC001471661742 1110527809 /nfs/dbraw/zinc/52/78/09/1110527809.db2.gz AGIXIKVBFBILPO-VXGBXAGGSA-N 0 0 333.306 2.462 10 10 EECERN CC(C)NC(=O)NC1(C(=O)NCc2c(O)cccc2O)CCCCC1 ZINC001472063198 1110540779 /nfs/dbraw/zinc/54/07/79/1110540779.db2.gz GRVFQEGYNMJDHD-UHFFFAOYSA-N 0 0 349.431 2.125 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1CCCO[C@H]1CCOC1 ZINC001511780359 1118245976 /nfs/dbraw/zinc/24/59/76/1118245976.db2.gz UGHPLERQLNOYNG-INIZCTEOSA-N 0 0 346.431 2.124 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cnn(CCC(F)(F)F)c1 ZINC001520508676 1119171079 /nfs/dbraw/zinc/17/10/79/1119171079.db2.gz IZFOSINXIWGSDI-UHFFFAOYSA-N 0 0 329.278 2.177 10 10 EECERN CCOC(=O)CN(C(=O)/C=C/c1cn(C)cn1)c1ccccc1F ZINC001534548181 1123355394 /nfs/dbraw/zinc/35/53/94/1123355394.db2.gz MRUBNUAHFWOMGC-CMDGGOBGSA-N 0 0 331.347 2.169 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@]3(C)CC(C)=NO3)CC2)cc1F ZINC001545608494 1124198633 /nfs/dbraw/zinc/19/86/33/1124198633.db2.gz VQXGXHSRPKAWBZ-KRWDZBQOSA-N 0 0 335.379 2.038 10 10 EECERN COc1ccc(CNC(=O)c2cc(C(F)(F)F)ncn2)c(O)c1 ZINC001568100006 1124302431 /nfs/dbraw/zinc/30/24/31/1124302431.db2.gz HRMBSDNOFZHHBF-UHFFFAOYSA-N 0 0 327.262 2.140 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001568137070 1124323184 /nfs/dbraw/zinc/32/31/84/1124323184.db2.gz CYHFUXIXXUUBSJ-WBVHZDCISA-N 0 0 348.443 2.334 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1F ZINC000116539719 529781438 /nfs/dbraw/zinc/78/14/38/529781438.db2.gz XQQLLAOHNOQPRA-CQSZACIVSA-N 0 0 345.422 2.324 10 10 EECERN CCn1cc(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)cn1 ZINC000096298390 135643119 /nfs/dbraw/zinc/64/31/19/135643119.db2.gz FHYAGZQUKNKMSR-YVMONPNESA-N 0 0 326.400 2.392 10 10 EECERN O=C(CCc1ccccc1O)NCc1ccc(N2CCOCC2)cc1 ZINC000054285021 463224182 /nfs/dbraw/zinc/22/41/82/463224182.db2.gz CQLAQLWSZJZVGA-UHFFFAOYSA-N 0 0 340.423 2.478 10 10 EECERN CCN(C[C@@H]1CCOC1)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 ZINC000096298393 463234356 /nfs/dbraw/zinc/23/43/56/463234356.db2.gz LEDNGTXXDHSHTN-MTIYJEKLSA-N 0 0 344.455 2.421 10 10 EECERN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccc(O)c1O ZINC000185660179 463858701 /nfs/dbraw/zinc/85/87/01/463858701.db2.gz AELTUQJXUTYQCL-CQSZACIVSA-N 0 0 326.352 2.023 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277408581 463914436 /nfs/dbraw/zinc/91/44/36/463914436.db2.gz FZXXQSAEMOAAGO-RBZUQTFTSA-N 0 0 345.317 2.273 10 10 EECERN C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Br)cc(F)c1[O-] ZINC000185974028 463915727 /nfs/dbraw/zinc/91/57/27/463915727.db2.gz GZQCSIRMGMRWJK-ONGXEEELSA-N 0 0 347.228 2.275 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1c1nccs1 ZINC000186407988 463993481 /nfs/dbraw/zinc/99/34/81/463993481.db2.gz AFFMPURJMTZGKS-WCQYABFASA-N 0 0 347.440 2.271 10 10 EECERN CNC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279645457 464117647 /nfs/dbraw/zinc/11/76/47/464117647.db2.gz MFLUYGPIWQETSE-CQSZACIVSA-N 0 0 329.366 2.482 10 10 EECERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000263941396 464247703 /nfs/dbraw/zinc/24/77/03/464247703.db2.gz ZVFLONICDBRTBY-XJKSGUPXSA-N 0 0 349.500 2.316 10 10 EECERN COCCN(C[C@@H](O)CC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000189690514 464540899 /nfs/dbraw/zinc/54/08/99/464540899.db2.gz PFWGJZBRUQWWMP-LBPRGKRZSA-N 0 0 337.338 2.470 10 10 EECERN [O-]c1cc(F)c(Cl)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000295010644 464678220 /nfs/dbraw/zinc/67/82/20/464678220.db2.gz VNTVYTNLAQLDLG-UHFFFAOYSA-N 0 0 341.858 2.398 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000276040288 464795163 /nfs/dbraw/zinc/79/51/63/464795163.db2.gz NDWJJTSUZDQGKQ-PBHICJAKSA-N 0 0 340.489 2.470 10 10 EECERN COc1nnc(NC(=O)NCc2ccc(N3CC=CC3)cc2)s1 ZINC000282573969 464871491 /nfs/dbraw/zinc/87/14/91/464871491.db2.gz AXBGPYGGMAONFM-UHFFFAOYSA-N 0 0 331.401 2.245 10 10 EECERN COc1c([O-])c(C[NH2+][C@H]2CCCc3nn(C)cc32)ccc1[N+](=O)[O-] ZINC000282845220 464971313 /nfs/dbraw/zinc/97/13/13/464971313.db2.gz DAPYPJIICPHAED-LBPRGKRZSA-N 0 0 332.360 2.210 10 10 EECERN C[C@H](Cn1cncn1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299652525 465842012 /nfs/dbraw/zinc/84/20/12/465842012.db2.gz PVGVRWYUDXSISA-CQSZACIVSA-N 0 0 342.447 2.107 10 10 EECERN COc1ccc2c(c1)CCN2C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000363737052 466589032 /nfs/dbraw/zinc/58/90/32/466589032.db2.gz CBRVPCCJYXNZSH-UHFFFAOYSA-N 0 0 337.383 2.032 10 10 EECERN COc1c(O)c([C@@H]2NC(=O)c3ccc(F)cc3N2)ccc1[N+](=O)[O-] ZINC000772175945 577255964 /nfs/dbraw/zinc/25/59/64/577255964.db2.gz HEYFXZSTAYZKDG-AWEZNQCLSA-N 0 0 333.275 2.302 10 10 EECERN C[C@@H](NC(=O)N1CCN2C(=O)OCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000773611674 577354520 /nfs/dbraw/zinc/35/45/20/577354520.db2.gz QVKPIYXAYUPKBO-CZUORRHYSA-N 0 0 346.431 2.050 10 10 EECERN CC(C)C(=O)N1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773627574 577355663 /nfs/dbraw/zinc/35/56/63/577355663.db2.gz PALSKFQSTFQEKZ-OAHLLOKOSA-N 0 0 346.475 2.323 10 10 EECERN Oc1c(Br)cccc1CNC(=S)NC[C@@H]1CCCO1 ZINC000765992108 577510880 /nfs/dbraw/zinc/51/08/80/577510880.db2.gz GOECTBFHPVUKDL-JTQLQIEISA-N 0 0 345.262 2.298 10 10 EECERN O=C1OCC[C@@H]2CN(Cc3cc(Br)ccc3O)CCN12 ZINC000770386182 577595218 /nfs/dbraw/zinc/59/52/18/577595218.db2.gz MUGWOEMXHDSEIN-GFCCVEGCSA-N 0 0 341.205 2.181 10 10 EECERN COC(=O)CN(Cc1ncc(C)cn1)Cc1cc(Cl)ccc1O ZINC000760857514 577670734 /nfs/dbraw/zinc/67/07/34/577670734.db2.gz QTLYQBPUGHKJCT-UHFFFAOYSA-N 0 0 335.791 2.319 10 10 EECERN O=C1N[C@@]2(CCSC2)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000761094599 577676462 /nfs/dbraw/zinc/67/64/62/577676462.db2.gz XUGSXNWNGNMLQO-QGZVFWFLSA-N 0 0 331.441 2.214 10 10 EECERN Cc1ncsc1CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761895654 577691184 /nfs/dbraw/zinc/69/11/84/577691184.db2.gz VTGVZLQVADARPJ-UHFFFAOYSA-N 0 0 334.357 2.327 10 10 EECERN C[C@H]1COCC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000763197465 577716479 /nfs/dbraw/zinc/71/64/79/577716479.db2.gz UTMRKWROYLHKRC-WMLDXEAASA-N 0 0 349.500 2.464 10 10 EECERN COc1ccc(O)c(CNC(=O)NCCc2cnc(C3CC3)nc2)c1 ZINC000756696107 577848740 /nfs/dbraw/zinc/84/87/40/577848740.db2.gz GODDPTBPCDOAPO-UHFFFAOYSA-N 0 0 342.399 2.110 10 10 EECERN CC(=O)c1cc(Cl)cc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000750049015 577986227 /nfs/dbraw/zinc/98/62/27/577986227.db2.gz RCWXVZKQWRFUEF-NSHDSACASA-N 0 0 345.848 2.115 10 10 EECERN O=C(CCOCC(F)F)NCc1cc(Br)ccc1O ZINC000804739300 675611826 /nfs/dbraw/zinc/61/18/26/675611826.db2.gz VDQBDXDNIMBCBI-UHFFFAOYSA-N 0 0 338.148 2.443 10 10 EECERN CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596411 682990162 /nfs/dbraw/zinc/99/01/62/682990162.db2.gz YRYLLYWASIJXHU-QZTJIDSGSA-N 0 0 343.471 2.297 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)NCc1cncc(O)c1 ZINC000914180514 683339247 /nfs/dbraw/zinc/33/92/47/683339247.db2.gz OYVOYTSXAWLNTM-UHFFFAOYSA-N 0 0 326.400 2.387 10 10 EECERN CC[C@H]([C@@H]1CCCOC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925095293 683347227 /nfs/dbraw/zinc/34/72/27/683347227.db2.gz JHAHTDJHSLPWJG-HUUCEWRRSA-N 0 0 332.400 2.362 10 10 EECERN O=C(NCCN1CCc2sccc2C1)NCc1c(O)cccc1F ZINC000914328551 683499204 /nfs/dbraw/zinc/49/92/04/683499204.db2.gz PORCTZVUDQUITO-UHFFFAOYSA-N 0 0 349.431 2.450 10 10 EECERN CN(C)c1ccc(CN(C)C2CS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000895398521 684586138 /nfs/dbraw/zinc/58/61/38/684586138.db2.gz TWMNPRVBVOUAMJ-UHFFFAOYSA-N 0 0 336.379 2.000 10 10 EECERN CCOc1cccc(CN[C@@H](CC2CCOCC2)C(=O)OC)c1O ZINC000895589678 684652333 /nfs/dbraw/zinc/65/23/33/684652333.db2.gz FGPUDVOYNYQUOB-HNNXBMFYSA-N 0 0 337.416 2.239 10 10 EECERN COc1cc(F)ccc1N1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193072956 684812376 /nfs/dbraw/zinc/81/23/76/684812376.db2.gz SYVUBEDXFAHALB-UHFFFAOYSA-N 0 0 346.358 2.208 10 10 EECERN O=C([C@H]1CSC(=O)N1)N(Cc1ccco1)Cc1ccccc1O ZINC000124385872 685715507 /nfs/dbraw/zinc/71/55/07/685715507.db2.gz DVJUWAKVXYXKQZ-CYBMUJFWSA-N 0 0 332.381 2.339 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@]12CCOC2=O ZINC000897453256 690557220 /nfs/dbraw/zinc/55/72/20/690557220.db2.gz HGVZRLVHLSKGEK-MRXNPFEDSA-N 0 0 333.365 2.234 10 10 EECERN COc1ccc(CNC(=O)C[C@@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000897629464 691710221 /nfs/dbraw/zinc/71/02/21/691710221.db2.gz OVFFAJVHVKXNHX-INIZCTEOSA-N 0 0 349.427 2.383 10 10 EECERN COC[C@@]1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000899153187 693635111 /nfs/dbraw/zinc/63/51/11/693635111.db2.gz AQHFMCTYLSRLNZ-MRXNPFEDSA-N 0 0 337.397 2.190 10 10 EECERN C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccccc1O ZINC001648891742 1176755487 /nfs/dbraw/zinc/75/54/87/1176755487.db2.gz GKAPPNWFPQQJAU-WFASDCNBSA-N 0 0 327.384 2.369 10 10 EECERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000905456087 1189735608 /nfs/dbraw/zinc/73/56/08/1189735608.db2.gz FUYLJEMYBBJELV-QAPCUYQASA-N 0 0 332.444 2.297 10 10 EECERN C/C=C(/C)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486905976 1197067934 /nfs/dbraw/zinc/06/79/34/1197067934.db2.gz TUGOVSPQJJMGRB-DJXMCKHYSA-N 0 0 345.403 2.392 10 10 EECERN Cc1cc(CCNC(=O)[C@@H](O)c2c[nH]cn2)c(C)n1-c1ccccc1 ZINC000864645062 1197863742 /nfs/dbraw/zinc/86/37/42/1197863742.db2.gz SHCVZXXIJVNSEZ-SFHVURJKSA-N 0 0 338.411 2.210 10 10 EECERN COC(=O)[C@](C)(NC(=O)c1ccc(C)c(O)c1O)c1ccc(F)cc1 ZINC000794712116 1197907013 /nfs/dbraw/zinc/90/70/13/1197907013.db2.gz PSPJBNCRKDEUHQ-GOSISDBHSA-N 0 0 347.342 2.364 10 10 EECERN CN(C)c1ccc(CNC(=O)c2c[nH]nc2[C@H]2CCCO2)cc1F ZINC000865050545 1198063309 /nfs/dbraw/zinc/06/33/09/1198063309.db2.gz DFFGKBNOWXWXTL-OAHLLOKOSA-N 0 0 332.379 2.396 10 10 EECERN CNC(=O)c1ccc(COc2ccc(N(C)C)c(C(=O)OC)c2)cc1 ZINC000865395094 1198194905 /nfs/dbraw/zinc/19/49/05/1198194905.db2.gz ITEFESDLUQQVBJ-UHFFFAOYSA-N 0 0 342.395 2.478 10 10 EECERN Cc1ncc(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000878780066 1200672068 /nfs/dbraw/zinc/67/20/68/1200672068.db2.gz DYOQNWNZLZPTJM-HNNXBMFYSA-N 0 0 330.384 2.439 10 10 EECERN O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1Cc2cccc(O)c2C1 ZINC000871204891 1201099671 /nfs/dbraw/zinc/09/96/71/1201099671.db2.gz RWAMEOXCKPYVMK-CQSZACIVSA-N 0 0 326.352 2.111 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCO[C@@H](C(F)F)CC2)cc1OC ZINC000866063765 1201419689 /nfs/dbraw/zinc/41/96/89/1201419689.db2.gz BEYRWDSMAKFAMO-LLVKDONJSA-N 0 0 332.303 2.472 10 10 EECERN O=S(=O)(N1Cc2cccc(O)c2C1)N1CCc2ccccc2C1 ZINC000867689234 1201659739 /nfs/dbraw/zinc/65/97/39/1201659739.db2.gz KRVKVYRBOPFCHY-UHFFFAOYSA-N 0 0 330.409 2.011 10 10 EECERN CON1CCC(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000868307231 1201787971 /nfs/dbraw/zinc/78/79/71/1201787971.db2.gz UMJGDHRHLGCAJS-UHFFFAOYSA-N 0 0 343.221 2.044 10 10 EECERN C[C@H](NC(=O)NC[C@@H](n1cncn1)C(F)(F)F)c1ccccc1O ZINC000868885937 1201898581 /nfs/dbraw/zinc/89/85/81/1201898581.db2.gz KTSJURZVHMMGSP-JOYOIKCWSA-N 0 0 343.309 2.148 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)cc1 ZINC000869228270 1201969309 /nfs/dbraw/zinc/96/93/09/1201969309.db2.gz GMZQQNDVNPPBLF-AYOQOUSVSA-N 0 0 344.455 2.453 10 10 EECERN CC(=O)C(=O)COC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000885029146 1202384164 /nfs/dbraw/zinc/38/41/64/1202384164.db2.gz QOJPSQXDDVUOQY-CYBMUJFWSA-N 0 0 343.420 2.263 10 10 EECERN Cc1cc(CC(=O)NCCc2nnc(C)[nH]2)c(C)n1-c1ccccc1 ZINC000826699124 1204868156 /nfs/dbraw/zinc/86/81/56/1204868156.db2.gz HRLALSWCKOZRSZ-UHFFFAOYSA-N 0 0 337.427 2.422 10 10 EECERN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCc1c(O)cccc1F ZINC000931158408 1206611721 /nfs/dbraw/zinc/61/17/21/1206611721.db2.gz PQIGXFNVJQLUEB-LLVKDONJSA-N 0 0 348.378 2.481 10 10 EECERN Cc1cnc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000778591241 1208298763 /nfs/dbraw/zinc/29/87/63/1208298763.db2.gz WDRDSPQXAXJMDW-AWEZNQCLSA-N 0 0 341.411 2.423 10 10 EECERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000246195450 1212071981 /nfs/dbraw/zinc/07/19/81/1212071981.db2.gz OKWRQGGODRHNRJ-NWDGAFQWSA-N 0 0 328.434 2.028 10 10 EECERN CN(C)c1ccc(CN(C(=O)/C=C\Cn2cncn2)C2CC2)cc1 ZINC000900123114 1234030764 /nfs/dbraw/zinc/03/07/64/1234030764.db2.gz CSPQPLFTAJOPGO-ARJAWSKDSA-N 0 0 325.416 2.092 10 10 EECERN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H](O)C(C)(C)O)cc1 ZINC000900131055 1234036725 /nfs/dbraw/zinc/03/67/25/1234036725.db2.gz YTCNIOWARZRHLY-QGZVFWFLSA-N 0 0 346.427 2.006 10 10 EECERN Cc1cc(C(=O)NC[C@@](C)(O)CO)c(C)n1-c1ccc(Cl)cc1 ZINC000801977062 1236584661 /nfs/dbraw/zinc/58/46/61/1236584661.db2.gz NLPMQVBSQODTBN-QGZVFWFLSA-N 0 0 336.819 2.221 10 10 EECERN O=C(NCCCSc1nccs1)N1CCO[C@@H](C(F)F)C1 ZINC000802244661 1237160629 /nfs/dbraw/zinc/16/06/29/1237160629.db2.gz ZBJJGJZFQHCPME-SECBINFHSA-N 0 0 337.417 2.301 10 10 EECERN CCc1noc(C(=O)NCc2cc(Br)ccc2O)n1 ZINC000902679106 1238194149 /nfs/dbraw/zinc/19/41/49/1238194149.db2.gz UYWGLQFQWODUFR-UHFFFAOYSA-N 0 0 326.150 2.030 10 10 EECERN CO[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCOC1 ZINC000850344375 1277189051 /nfs/dbraw/zinc/18/90/51/1277189051.db2.gz GYFIQCFKRXOTGQ-NOZJJQNGSA-N 0 0 330.768 2.095 10 10 EECERN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)NCCc2ccc(N)cc2)cn1 ZINC000851663116 1277707477 /nfs/dbraw/zinc/70/74/77/1277707477.db2.gz TWTFLULHKZVBQP-AEFFLSMTSA-N 0 0 341.459 2.255 10 10 EECERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)c2ncnn21 ZINC000851988321 1291943570 /nfs/dbraw/zinc/94/35/70/1291943570.db2.gz XKKFDCZOSSPABX-CZUORRHYSA-N 0 0 340.431 2.384 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)[C@H]3CCCOC3)C2)cc1 ZINC000852247927 1292062348 /nfs/dbraw/zinc/06/23/48/1292062348.db2.gz NBYMYKJCOGKHOZ-PMPSAXMXSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCOC(F)(F)F)C2)cc1 ZINC000852274652 1292075069 /nfs/dbraw/zinc/07/50/69/1292075069.db2.gz RIFSHFCGODRRCI-NSHDSACASA-N 0 0 347.337 2.110 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C)[C@H](OC)C3)C2)cc1 ZINC000852451975 1292117371 /nfs/dbraw/zinc/11/73/71/1292117371.db2.gz RXIDBDCHGMNREK-RVKKMQEKSA-N 0 0 347.459 2.340 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCOCC3)C2)cc1 ZINC000852454915 1292119025 /nfs/dbraw/zinc/11/90/25/1292119025.db2.gz RBQJVBNUDMQDQK-HUUCEWRRSA-N 0 0 333.432 2.142 10 10 EECERN C[C@@H](c1nccn1C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000853089854 1292277327 /nfs/dbraw/zinc/27/73/27/1292277327.db2.gz YNHOFJWODLRYHI-JTQLQIEISA-N 0 0 348.790 2.305 10 10 EECERN Cc1cc(CC(=O)O[C@H]2CCCNC2=O)c(C)n1-c1ccccc1 ZINC000853114087 1292287764 /nfs/dbraw/zinc/28/77/64/1292287764.db2.gz PAJWIINLPBZKJL-KRWDZBQOSA-N 0 0 326.396 2.458 10 10 EECERN C[C@H](NC(=O)NCCCSc1nccs1)c1nccn1C ZINC000853859693 1292494352 /nfs/dbraw/zinc/49/43/52/1292494352.db2.gz WQNPECRMBQOGME-JTQLQIEISA-N 0 0 325.463 2.419 10 10 EECERN CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@@H](C)CO1 ZINC000854297967 1292709192 /nfs/dbraw/zinc/70/91/92/1292709192.db2.gz YMNGVGBJADWFHT-ZMSDIMECSA-N 0 0 347.459 2.483 10 10 EECERN CCCN(CC(C)(C)O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300583 1292711259 /nfs/dbraw/zinc/71/12/59/1292711259.db2.gz WGNQFQBNNSPRQC-OAHLLOKOSA-N 0 0 349.475 2.466 10 10 EECERN CC[C@H](C)[C@](C)(O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302060 1292712425 /nfs/dbraw/zinc/71/24/25/1292712425.db2.gz XLYNFLJHMIGLNY-YZVOILCLSA-N 0 0 349.475 2.370 10 10 EECERN Cc1cc(CC(=O)N2CCn3nncc3C2)c(C)n1-c1ccccc1 ZINC000855046510 1293051967 /nfs/dbraw/zinc/05/19/67/1293051967.db2.gz GGVBOORGOAJYGK-UHFFFAOYSA-N 0 0 335.411 2.271 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnc(C)nc3C)C2)cc1 ZINC000855224087 1293116405 /nfs/dbraw/zinc/11/64/05/1293116405.db2.gz CWCFUIKNOYHWBK-AWEZNQCLSA-N 0 0 326.400 2.111 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ncn(C(C)(C)C)n3)C2)cc1 ZINC000855227550 1293120049 /nfs/dbraw/zinc/12/00/49/1293120049.db2.gz XMSQHUSCMCKTDQ-CYBMUJFWSA-N 0 0 343.431 2.050 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccnc(C4CC4)n3)C2)cc1 ZINC000855229931 1293120938 /nfs/dbraw/zinc/12/09/38/1293120938.db2.gz CXZRYDREPBOLHG-AWEZNQCLSA-N 0 0 338.411 2.371 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cn4ccccc4n3)C2)cc1 ZINC000855230120 1293121035 /nfs/dbraw/zinc/12/10/35/1293121035.db2.gz SRRCCBIZWWTJRJ-CQSZACIVSA-N 0 0 336.395 2.352 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3nccs3)C2)cc1 ZINC000855228647 1293121249 /nfs/dbraw/zinc/12/12/49/1293121249.db2.gz BZURPJRJUNPSLM-CYBMUJFWSA-N 0 0 331.441 2.479 10 10 EECERN CNc1nc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000857302560 1293787126 /nfs/dbraw/zinc/78/71/26/1293787126.db2.gz VRJBNLIWFADBHN-NSHDSACASA-N 0 0 332.429 2.202 10 10 EECERN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000857841668 1293928381 /nfs/dbraw/zinc/92/83/81/1293928381.db2.gz WZXAHIDTRGVLHS-JTQLQIEISA-N 0 0 334.397 2.005 10 10 EECERN CCn1ncc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000858205100 1294044239 /nfs/dbraw/zinc/04/42/39/1294044239.db2.gz QMAMHNLMZMUZPA-UHFFFAOYSA-N 0 0 344.419 2.486 10 10 EECERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000858209747 1294046530 /nfs/dbraw/zinc/04/65/30/1294046530.db2.gz UKWAZHLXZWHMQU-GFCCVEGCSA-N 0 0 330.266 2.390 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000859277103 1294372342 /nfs/dbraw/zinc/37/23/42/1294372342.db2.gz PATQKBOGUZIPKT-ZACQAIPSSA-N 0 0 343.471 2.263 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC001119756127 1309190884 /nfs/dbraw/zinc/19/08/84/1309190884.db2.gz DIMCEQVBTDFQLF-IFXJQAMLSA-N 0 0 347.459 2.005 10 10 EECERN COCc1ccc(S(=O)(=O)Nc2ccc(O)cc2COC)cc1 ZINC000840916737 1315435549 /nfs/dbraw/zinc/43/55/49/1315435549.db2.gz BYXWSMJRVGFSIH-UHFFFAOYSA-N 0 0 337.397 2.486 10 10 EECERN Cc1c(F)ccc(N)c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001142235080 1315533351 /nfs/dbraw/zinc/53/33/51/1315533351.db2.gz JSZVNFFVMRBNLL-UHFFFAOYSA-N 0 0 343.402 2.483 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O ZINC000842163963 1315670824 /nfs/dbraw/zinc/67/08/24/1315670824.db2.gz TUEFICGWNPCSNH-VXGBXAGGSA-N 0 0 340.851 2.135 10 10 EECERN COc1cccc(CN[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1O ZINC000842775643 1315771680 /nfs/dbraw/zinc/77/16/80/1315771680.db2.gz SHYYFRFLHUURTO-OAHLLOKOSA-N 0 0 347.415 2.307 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC001154068936 1316948175 /nfs/dbraw/zinc/94/81/75/1316948175.db2.gz FWSJPNKCBGHHIB-ZKKXHLJNSA-N 0 0 347.798 2.484 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)NCC[C@H](O)C(C)C)C2)cc1 ZINC001252116488 1317557175 /nfs/dbraw/zinc/55/71/75/1317557175.db2.gz SBANANWHZYUXCH-YJBOKZPZSA-N 0 0 349.475 2.228 10 10 EECERN CCn1ncc(C(=O)NCc2c(O)cccc2F)c1Br ZINC001156177838 1317908028 /nfs/dbraw/zinc/90/80/28/1317908028.db2.gz OVIUMMMTMUOKJH-UHFFFAOYSA-N 0 0 342.168 2.440 10 10 EECERN CC[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284265572 1326480453 /nfs/dbraw/zinc/48/04/53/1326480453.db2.gz DWZJOEZQXXTHPK-MNOVXSKESA-N 0 0 333.392 2.130 10 10 EECERN CCCC(=O)N(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001287554459 1327515996 /nfs/dbraw/zinc/51/59/96/1327515996.db2.gz ROYYASRTAZYDER-LLVKDONJSA-N 0 0 333.392 2.226 10 10 EECERN CCOC(=O)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001292281796 1328380096 /nfs/dbraw/zinc/38/00/96/1328380096.db2.gz OITGRUUPTUNJSY-UHFFFAOYSA-N 0 0 343.379 2.232 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccncc2NC(C)=O)c1 ZINC001294935707 1329765481 /nfs/dbraw/zinc/76/54/81/1329765481.db2.gz AUTLQZPHIYLVJQ-JTQLQIEISA-N 0 0 329.356 2.245 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ncccc2NC(C)=O)c1 ZINC001294937048 1329765603 /nfs/dbraw/zinc/76/56/03/1329765603.db2.gz NAOSEKSQFLPSTG-JTQLQIEISA-N 0 0 329.356 2.245 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N(CCO)Cc1cccnc1 ZINC001295237666 1329792684 /nfs/dbraw/zinc/79/26/84/1329792684.db2.gz FASYJHKMNVFLOI-UHFFFAOYSA-N 0 0 344.392 2.342 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC001298405037 1330071998 /nfs/dbraw/zinc/07/19/98/1330071998.db2.gz NJHVEKMZUNQCKD-UHFFFAOYSA-N 0 0 325.364 2.420 10 10 EECERN CN1c2ccccc2CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1=O ZINC001300961799 1331285456 /nfs/dbraw/zinc/28/54/56/1331285456.db2.gz DBLQGZKFNABZFI-CLFYSBASSA-N 0 0 338.363 2.116 10 10 EECERN CCS(=O)(=O)Nc1cccc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001302786412 1331335426 /nfs/dbraw/zinc/33/54/26/1331335426.db2.gz IYCRYJOTOZAIKL-UHFFFAOYSA-N 0 0 346.408 2.310 10 10 EECERN Cc1ccc(-c2nn(C)cc2C(=O)NCc2c(O)cccc2O)o1 ZINC001304053392 1331374724 /nfs/dbraw/zinc/37/47/24/1331374724.db2.gz JZMSIMCEZRNRHP-UHFFFAOYSA-N 0 0 327.340 2.330 10 10 EECERN Cc1nnc(N2CCOC[C@@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001304870868 1331401063 /nfs/dbraw/zinc/40/10/63/1331401063.db2.gz WAUNAWGBWCLYEF-AWEZNQCLSA-N 0 0 341.459 2.242 10 10 EECERN O=C(C(=O)N1CCCC2(CCCC2)C1)N1Cc2cccc(O)c2C1 ZINC001330419827 1334840331 /nfs/dbraw/zinc/84/03/31/1334840331.db2.gz XLIJHBSRBIMDJD-UHFFFAOYSA-N 0 0 328.412 2.417 10 10 EECERN O=C(C(=O)N1CCC[C@H](C(F)(F)F)C1)N1Cc2cccc(O)c2C1 ZINC001330540830 1334867188 /nfs/dbraw/zinc/86/71/88/1334867188.db2.gz GVSSTIXHXPQTAJ-NSHDSACASA-N 0 0 342.317 2.035 10 10 EECERN C[C@H](CN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001335564276 1336395406 /nfs/dbraw/zinc/39/54/06/1336395406.db2.gz WVQWICOWLAWIBW-CQSZACIVSA-N 0 0 338.407 2.497 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)NCC2(C)CCC2)cc1 ZINC001340618757 1337216367 /nfs/dbraw/zinc/21/63/67/1337216367.db2.gz XSVJSDJFWNNFFX-UHFFFAOYSA-N 0 0 331.460 2.455 10 10 EECERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351176995 1337792355 /nfs/dbraw/zinc/79/23/55/1337792355.db2.gz KERDFMPFGQPHBB-DLBZAZTESA-N 0 0 330.428 2.444 10 10 EECERN C[C@@H](NC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000847355775 1337974666 /nfs/dbraw/zinc/97/46/66/1337974666.db2.gz GNXWHJKDZRLFSO-MLGOLLRUSA-N 0 0 346.431 2.096 10 10 EECERN CCCC[C@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849358600 1339154299 /nfs/dbraw/zinc/15/42/99/1339154299.db2.gz ZNJZKSOYEWIUMC-GOEBONIOSA-N 0 0 331.416 2.385 10 10 EECERN CCc1[nH]c(=O)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC001611430259 1352300242 /nfs/dbraw/zinc/30/02/42/1352300242.db2.gz AEHQPDSPGQCLSQ-NSHDSACASA-N 0 0 330.384 2.430 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001611431802 1352300716 /nfs/dbraw/zinc/30/07/16/1352300716.db2.gz SPMQXURGTVOVBD-SECBINFHSA-N 0 0 344.392 2.362 10 10 EECERN O=C(Cc1c[nH]c2cnc(Cl)cc12)NCc1cccc(O)c1O ZINC001558162063 1342467121 /nfs/dbraw/zinc/46/71/21/1342467121.db2.gz UEVYIPFVOUKVPK-UHFFFAOYSA-N 0 0 331.759 2.486 10 10 EECERN Cc1ccc(Br)nc1C(=O)NCc1c(O)cccc1O ZINC001558533405 1342480467 /nfs/dbraw/zinc/48/04/67/1342480467.db2.gz FPXITAXRSIOYAA-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001559032535 1342496055 /nfs/dbraw/zinc/49/60/55/1342496055.db2.gz YDLPACWLGZBVMO-ORAYPTAESA-N 0 0 343.354 2.277 10 10 EECERN C[C@@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)COc2ccccc2O1 ZINC001585591819 1348807770 /nfs/dbraw/zinc/80/77/70/1348807770.db2.gz FJOZXMSIJJIADL-GXVATQTDSA-N 0 0 341.363 2.457 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC001587455299 1348863074 /nfs/dbraw/zinc/86/30/74/1348863074.db2.gz BBMFGBMCQLACLR-HNNXBMFYSA-N 0 0 331.343 2.459 10 10 EECERN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NCc1cccc(O)c1O ZINC001593739067 1349872289 /nfs/dbraw/zinc/87/22/89/1349872289.db2.gz FJUYISCIDVFCNB-UHFFFAOYSA-N 0 0 341.367 2.319 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001595806871 1349895630 /nfs/dbraw/zinc/89/56/30/1349895630.db2.gz YJTRUGOABRISDJ-HWPZZCPQSA-N 0 0 346.339 2.220 10 10 EECERN CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001627605032 1352503314 /nfs/dbraw/zinc/50/33/14/1352503314.db2.gz ZFFLWHBLAYSPGK-ZIAGYGMSSA-N 0 0 336.407 2.487 10 10 EECERN CC(C)(C)OC(=O)COCC(=O)NCCCSc1nccs1 ZINC001628326553 1352530303 /nfs/dbraw/zinc/53/03/03/1352530303.db2.gz WSYOCXIOPGKGNC-UHFFFAOYSA-N 0 0 346.474 2.100 10 10 EECERN Cn1cccc1[C@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001633759661 1352617162 /nfs/dbraw/zinc/61/71/62/1352617162.db2.gz OSIUWTRANTUROM-ZQMJAJRESA-N 0 0 328.368 2.050 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1nnc(-c2ccco2)o1 ZINC001634388000 1352626793 /nfs/dbraw/zinc/62/67/93/1352626793.db2.gz XRUUZOVEYXLVCR-UHFFFAOYSA-N 0 0 340.339 2.435 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2)cc1 ZINC001641358818 1352720860 /nfs/dbraw/zinc/72/08/60/1352720860.db2.gz HKOSAWZDGVSKQV-AWEZNQCLSA-N 0 0 330.319 2.452 10 10 EECERN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)nc1 ZINC001644753553 1352768244 /nfs/dbraw/zinc/76/82/44/1352768244.db2.gz DDCNLJRGUSRHQV-UHFFFAOYSA-N 0 0 344.367 2.378 10 10 EECERN COC(=O)c1ccc(Cl)c(C(=O)NCc2c(O)cccc2O)c1 ZINC001645362949 1352777202 /nfs/dbraw/zinc/77/72/02/1352777202.db2.gz GKZWKJDAUORZDC-UHFFFAOYSA-N 0 0 335.743 2.468 10 10 EECERN O=C(CCCNC(=O)NC1CCCCC1)NCc1c(O)cccc1O ZINC001652623254 1354097057 /nfs/dbraw/zinc/09/70/57/1354097057.db2.gz QVWNAZAOAGSRCC-UHFFFAOYSA-N 0 0 349.431 2.126 10 10 EECERN CC(C)(C)c1nnc2ccc(C(=O)NCc3c(O)cccc3O)cn21 ZINC001652626260 1354097543 /nfs/dbraw/zinc/09/75/43/1354097543.db2.gz UUENYXFZJXOWHN-UHFFFAOYSA-N 0 0 340.383 2.368 10 10 EECERN O=C(NCc1c[nH]c(=O)c2ccccc12)c1c(F)ccc(O)c1O ZINC001654824019 1354158682 /nfs/dbraw/zinc/15/86/82/1354158682.db2.gz XAHOAPSIWUITGZ-UHFFFAOYSA-N 0 0 328.299 2.421 10 10 EECERN CO[C@@]1(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCOC1 ZINC001671377197 1356332871 /nfs/dbraw/zinc/33/28/71/1356332871.db2.gz KDKFCTKFEGVBMS-LJQANCHMSA-N 0 0 347.459 2.234 10 10 EECERN C[C@H](NC(=O)NCc1nc(C(F)(F)F)no1)c1ccccc1O ZINC001685041608 1358299733 /nfs/dbraw/zinc/29/97/33/1358299733.db2.gz BUPTURQMQDQOGF-ZETCQYMHSA-N 0 0 330.266 2.354 10 10 EECERN CCC1(CC)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC[S@@]1=O ZINC000588487633 760164663 /nfs/dbraw/zinc/16/46/63/760164663.db2.gz HULJISYJUXIWDR-SJEJWHSFSA-N 0 0 337.441 2.261 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000918746396 769365556 /nfs/dbraw/zinc/36/55/56/769365556.db2.gz YAGBELKFEDLFKA-CXAGYDPISA-N 0 0 334.416 2.405 10 10 EECERN CN(C)c1ncc(NC(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000154945063 769751224 /nfs/dbraw/zinc/75/12/24/769751224.db2.gz NKSAHPWIOHJGIR-UHFFFAOYSA-N 0 0 340.431 2.247 10 10 EECERN C[C@@H](CNC(=O)NCc1c(O)cccc1F)CC1(C)OCCO1 ZINC000921439305 773373880 /nfs/dbraw/zinc/37/38/80/773373880.db2.gz XNKNSGLINFFDGQ-LLVKDONJSA-N 0 0 326.368 2.120 10 10 EECERN CO[C@]1(CNC(=O)NCCCSc2nccs2)CCSC1 ZINC000921447210 773379407 /nfs/dbraw/zinc/37/94/07/773379407.db2.gz AXNSNUMFWOTNSC-ZDUSSCGKSA-N 0 0 347.531 2.447 10 10 EECERN COC(=O)COc1ccc(N(C)Cc2nnc(C3CCC3)n2C)cc1 ZINC000183796999 781792908 /nfs/dbraw/zinc/79/29/08/781792908.db2.gz ICWCJDRTFOMYIU-UHFFFAOYSA-N 0 0 344.415 2.271 10 10 EECERN COC(=O)[C@@H](CF)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809776725 783342142 /nfs/dbraw/zinc/34/21/42/783342142.db2.gz OUTCJEKWPOIRPT-CYBMUJFWSA-N 0 0 339.367 2.186 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(Cl)nc2)c1 ZINC001128583167 783405554 /nfs/dbraw/zinc/40/55/54/783405554.db2.gz MIMZUXSRANXEPD-UTCJRWHESA-N 0 0 330.775 2.166 10 10 EECERN COc1ccc(O)c(CNS(=O)(=O)CC2Cc3ccccc3C2)c1 ZINC000809819866 783418942 /nfs/dbraw/zinc/41/89/42/783418942.db2.gz GNSKLSUNGVINPQ-UHFFFAOYSA-N 0 0 347.436 2.235 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1nnc(C2CC2)[nH]1 ZINC001136025568 785017269 /nfs/dbraw/zinc/01/72/69/785017269.db2.gz PBTLACIZIPOPFF-UHFFFAOYSA-N 0 0 339.443 2.483 10 10 EECERN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818360644 785256352 /nfs/dbraw/zinc/25/63/52/785256352.db2.gz BFRLOSMYKKFICK-XCBNKYQSSA-N 0 0 331.199 2.497 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\[C@@H]1CCCO1 ZINC000819700216 785648094 /nfs/dbraw/zinc/64/80/94/785648094.db2.gz UOFXESAUKVGRNY-KVPUOBJLSA-N 0 0 333.384 2.019 10 10 EECERN CCOC(=O)N(C)CCCC(=O)NCc1ccc2cccnc2c1O ZINC000911263271 787356696 /nfs/dbraw/zinc/35/66/96/787356696.db2.gz WOISEYPTVVTQMG-UHFFFAOYSA-N 0 0 345.399 2.425 10 10 EECERN C/C(=C\C(=O)N1C[C@@H](CO)Cc2cccc(F)c21)c1cnccn1 ZINC000911686729 787637185 /nfs/dbraw/zinc/63/71/85/787637185.db2.gz OWIQPUHEHULZLS-WHGQRRHOSA-N 0 0 327.359 2.217 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCO[C@H]1CCOC1 ZINC000150783980 788261601 /nfs/dbraw/zinc/26/16/01/788261601.db2.gz QRXIPJXLMFMWPS-AWEZNQCLSA-N 0 0 343.383 2.176 10 10 EECERN COC(=O)C(C)(C)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000158017220 790116157 /nfs/dbraw/zinc/11/61/57/790116157.db2.gz BXTVEGPOFSPPIY-UHFFFAOYSA-N 0 0 329.356 2.179 10 10 EECERN O=S(=O)(CC1(F)CC1)NCc1cc(Br)ccc1O ZINC000915603522 796332330 /nfs/dbraw/zinc/33/23/30/796332330.db2.gz LDKHOMMQFZSODF-UHFFFAOYSA-N 0 0 338.198 2.076 10 10 EECERN CCOC(=O)c1cc(CSc2ncc(C(=O)OC)s2)on1 ZINC000917777228 798354398 /nfs/dbraw/zinc/35/43/98/798354398.db2.gz AKPSEHVUSUBLPJ-UHFFFAOYSA-N 0 0 328.371 2.387 10 10 EECERN Cc1cc(C(=O)N2C[C@@H](O)CC(F)(F)C2)c(C)n1-c1ccccn1 ZINC000787550422 807144466 /nfs/dbraw/zinc/14/44/66/807144466.db2.gz MWEFORAJZTXSDO-ZDUSSCGKSA-N 0 0 335.354 2.331 10 10 EECERN Oc1cc2c(cc1CN1CCO[C@H](COc3ccccc3)C1)OCO2 ZINC000790460161 808729308 /nfs/dbraw/zinc/72/93/08/808729308.db2.gz ODYTYNDIIVEDCY-INIZCTEOSA-N 0 0 343.379 2.401 10 10 EECERN CC[C@@H](COC)NC(=O)NCc1cc(Br)ccc1O ZINC000805143414 811157374 /nfs/dbraw/zinc/15/73/74/811157374.db2.gz JTUAEUGRKFIPGB-NSHDSACASA-N 0 0 331.210 2.379 10 10 EECERN CCc1nc(C)ncc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001131029954 812301431 /nfs/dbraw/zinc/30/14/31/812301431.db2.gz IPOHOJFPTRGXQE-AWEZNQCLSA-N 0 0 340.427 2.365 10 10 EECERN CC(=O)C(=O)COC(=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1 ZINC000808508202 812679296 /nfs/dbraw/zinc/67/92/96/812679296.db2.gz VUNALKSVDLHOFK-UHFFFAOYSA-N 0 0 337.335 2.182 10 10 EECERN CC(=O)C(=O)COC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000808540502 812709727 /nfs/dbraw/zinc/70/97/27/812709727.db2.gz WHTYLHDNIDERSK-UHFFFAOYSA-N 0 0 333.565 2.346 10 10 EECERN CS(=O)(=O)Cc1ccc(C(=O)NCc2c(O)cccc2F)cc1 ZINC001456086962 1109072069 /nfs/dbraw/zinc/07/20/69/1109072069.db2.gz IEIQMKIAWBSFCC-UHFFFAOYSA-N 0 0 337.372 2.006 10 10 EECERN COC(=O)c1cnc(N(C)Cc2ccc(N3CCCC3)cc2)nc1 ZINC001458084396 1109830651 /nfs/dbraw/zinc/83/06/51/1109830651.db2.gz LQBZCEZPEWHOKY-UHFFFAOYSA-N 0 0 326.400 2.500 10 10 EECERN Cn1cnc2ccc(C(=O)NCCCSc3nccs3)nc21 ZINC001464903355 1110407321 /nfs/dbraw/zinc/40/73/21/1110407321.db2.gz UQIZOPKCYKLQTD-UHFFFAOYSA-N 0 0 333.442 2.337 10 10 EECERN CC(C)n1cnnc1C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001464917385 1110407631 /nfs/dbraw/zinc/40/76/31/1110407631.db2.gz XKMFBZFQXMMXDM-UHFFFAOYSA-N 0 0 344.415 2.219 10 10 EECERN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC001471194314 1110518942 /nfs/dbraw/zinc/51/89/42/1110518942.db2.gz IQDUPJULFLHONY-LBPRGKRZSA-N 0 0 348.424 2.134 10 10 EECERN C[C@@]1(C(=O)NCc2cccc(Cl)c2O)Oc2ccccc2NC1=O ZINC001472316893 1110551651 /nfs/dbraw/zinc/55/16/51/1110551651.db2.gz LITJJAYIEYDBTK-KRWDZBQOSA-N 0 0 346.770 2.452 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC001472531795 1110558384 /nfs/dbraw/zinc/55/83/84/1110558384.db2.gz WPVLXMPETZDGNJ-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN CCn1ncc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC001516250621 1118999668 /nfs/dbraw/zinc/99/96/68/1118999668.db2.gz NZDOORLPDSFQTM-UHFFFAOYSA-N 0 0 333.355 2.260 10 10 EECERN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001543679324 1124133262 /nfs/dbraw/zinc/13/32/62/1124133262.db2.gz OZNKQVXLHACHRZ-CQSZACIVSA-N 0 0 348.443 2.041 10 10 EECERN CCc1n[nH]cc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000267934266 529470087 /nfs/dbraw/zinc/47/00/87/529470087.db2.gz HHJBXYNBTTVTOU-UHFFFAOYSA-N 0 0 332.379 2.082 10 10 EECERN O=c1[nH]c2ccsc2c(=O)n1Cc1ccc(N2CCCC2)cc1 ZINC000070460514 215696600 /nfs/dbraw/zinc/69/66/00/215696600.db2.gz CJIMYCGWELWGCE-UHFFFAOYSA-N 0 0 327.409 2.400 10 10 EECERN COc1cc(OC)cc(C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)c1 ZINC000021024234 212200589 /nfs/dbraw/zinc/20/05/89/212200589.db2.gz IUBRIRIOBMRLKV-UHFFFAOYSA-N 0 0 339.351 2.184 10 10 EECERN CN(CC(=O)NC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000060602330 462559575 /nfs/dbraw/zinc/55/95/75/462559575.db2.gz OFTFKEMMMJWTQZ-UHFFFAOYSA-N 0 0 346.475 2.125 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000132638471 462868835 /nfs/dbraw/zinc/86/88/35/462868835.db2.gz KJSPVLGPJFSGBH-QQOXCAACSA-N 0 0 334.372 2.380 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)Cn2c3ccccc3[nH]c2=O)cc1 ZINC000119757605 462926282 /nfs/dbraw/zinc/92/62/82/462926282.db2.gz FMGXOJMRRONTFG-UHFFFAOYSA-N 0 0 338.411 2.054 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160765268 463368341 /nfs/dbraw/zinc/36/83/41/463368341.db2.gz MEOXNMAXSWOPBF-UHFFFAOYSA-N 0 0 342.321 2.486 10 10 EECERN O=C(/C=C/C1CCCCC1)NCc1ccc(N2CCNC(=O)C2)cc1 ZINC000072287254 463498493 /nfs/dbraw/zinc/49/84/93/463498493.db2.gz XZAOPOTTWVDJMF-DHZHZOJOSA-N 0 0 341.455 2.376 10 10 EECERN CN(CC(=O)N1CCCC1)C(=O)/C=C/c1ccc2c(c1)CCCN2C ZINC000058333054 463580797 /nfs/dbraw/zinc/58/07/97/463580797.db2.gz VNWWGMJYBIUTKH-CSKARUKUSA-N 0 0 341.455 2.163 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(N2CCCC2)nc1 ZINC000172119321 463993076 /nfs/dbraw/zinc/99/30/76/463993076.db2.gz GUIWQQMSFCUDNA-UHFFFAOYSA-N 0 0 342.399 2.457 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCC(C)(C)O3)CC2)cc1F ZINC000278834076 463997734 /nfs/dbraw/zinc/99/77/34/463997734.db2.gz QUQXZPKOTSBWCX-INIZCTEOSA-N 0 0 336.407 2.441 10 10 EECERN C[C@@H]1C[C@@H](S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000289153011 464068937 /nfs/dbraw/zinc/06/89/37/464068937.db2.gz NEZPLRQZDWUAFX-CJNGLKHVSA-N 0 0 326.462 2.082 10 10 EECERN C[C@H]1C[C@H](S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000289153019 464069404 /nfs/dbraw/zinc/06/94/04/464069404.db2.gz NEZPLRQZDWUAFX-XJKSGUPXSA-N 0 0 326.462 2.082 10 10 EECERN C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000284310325 464145552 /nfs/dbraw/zinc/14/55/52/464145552.db2.gz LGWGUJGQUVDRQW-RWSFTLGLSA-N 0 0 326.393 2.109 10 10 EECERN COC(=O)CC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOCC1 ZINC000293583099 464413379 /nfs/dbraw/zinc/41/33/79/464413379.db2.gz JVBUKZHKYKVUQO-UHFFFAOYSA-N 0 0 331.771 2.387 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000272296617 464553726 /nfs/dbraw/zinc/55/37/26/464553726.db2.gz HXPXMLNDEMEKPT-ZIAGYGMSSA-N 0 0 341.363 2.289 10 10 EECERN CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295372466 464806287 /nfs/dbraw/zinc/80/62/87/464806287.db2.gz OMIIPRFOGBUTFG-CYBMUJFWSA-N 0 0 349.830 2.419 10 10 EECERN CCOc1cccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000248948665 464822665 /nfs/dbraw/zinc/82/26/65/464822665.db2.gz JQPWPSZZUKXUKK-KGLIPLIRSA-N 0 0 333.388 2.444 10 10 EECERN Cc1cc(C(=O)CN(CCO)CCCO)c(C)n1-c1ccc(F)cc1 ZINC000267475272 464935451 /nfs/dbraw/zinc/93/54/51/464935451.db2.gz ZCHZIVWKVBLJQV-UHFFFAOYSA-N 0 0 348.418 2.093 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](c4cc[nH]n4)C3)cc2N1 ZINC000301986905 466073719 /nfs/dbraw/zinc/07/37/19/466073719.db2.gz MTJCKSYUSVYAQG-SNVBAGLBSA-N 0 0 343.343 2.033 10 10 EECERN COCc1nc([C@H]2COCCN2Cc2cc(Cl)ccc2O)no1 ZINC000364102264 466682984 /nfs/dbraw/zinc/68/29/84/466682984.db2.gz VVJCWSCMHXULEB-GFCCVEGCSA-N 0 0 339.779 2.149 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000529771590 467908547 /nfs/dbraw/zinc/90/85/47/467908547.db2.gz UJJOPUXJCPOOFJ-GJZGRUSLSA-N 0 0 334.441 2.425 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1 ZINC000730109631 576716606 /nfs/dbraw/zinc/71/66/06/576716606.db2.gz IXPNFMWBWBLFAF-UHFFFAOYSA-N 0 0 342.370 2.161 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3n[nH]c(C)c3C)CC2)cc1 ZINC000734428025 577295834 /nfs/dbraw/zinc/29/58/34/577295834.db2.gz BQFPDGGUJQGSBP-UHFFFAOYSA-N 0 0 328.416 2.388 10 10 EECERN COc1cc(C)cc(CN2CCN(C(=O)NC(C)(C)C)CC2)c1O ZINC000774570242 577404718 /nfs/dbraw/zinc/40/47/18/577404718.db2.gz UMYYQTQQGXKSNF-UHFFFAOYSA-N 0 0 335.448 2.335 10 10 EECERN O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)C1=CC(=O)CS1 ZINC000765158961 577496149 /nfs/dbraw/zinc/49/61/49/577496149.db2.gz WGKFEAUVJVWIDX-AWEZNQCLSA-N 0 0 342.380 2.287 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CC3CCC2CC3)c1 ZINC000770032356 577589275 /nfs/dbraw/zinc/58/92/75/577589275.db2.gz LDWCHAWNTPCTPZ-QIMFLAQGSA-N 0 0 338.429 2.072 10 10 EECERN O=C(COC(=O)c1cccc(O)c1O)NC12CC3CC(CC(C3)C1)C2 ZINC000758556723 577627098 /nfs/dbraw/zinc/62/70/98/577627098.db2.gz GJRUMNBQBPQRSO-UHFFFAOYSA-N 0 0 345.395 2.340 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H](O)C2CCOCC2)cc1F ZINC000742253331 577870149 /nfs/dbraw/zinc/87/01/49/577870149.db2.gz YRNSQTQYAKPCQV-QGZVFWFLSA-N 0 0 338.423 2.076 10 10 EECERN CCOc1ccc(N(CC)CCn2nc3ccccn3c2=O)cc1 ZINC000746158847 577923327 /nfs/dbraw/zinc/92/33/27/577923327.db2.gz JVPSMVZPKQIJFB-UHFFFAOYSA-N 0 0 326.400 2.421 10 10 EECERN CCN(CC(=O)NC)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000749845569 577982826 /nfs/dbraw/zinc/98/28/26/577982826.db2.gz SMPBYSRYXGQOTO-UHFFFAOYSA-N 0 0 345.418 2.484 10 10 EECERN CSCCCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000077349362 678406331 /nfs/dbraw/zinc/40/63/31/678406331.db2.gz WURSHDPMOTZWQR-UHFFFAOYSA-N 0 0 337.489 2.466 10 10 EECERN COc1cccc(CNC(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000924501100 679362805 /nfs/dbraw/zinc/36/28/05/679362805.db2.gz CNKDLRVYZSYXSC-ZYHUDNBSSA-N 0 0 348.321 2.310 10 10 EECERN O=C(NCC[C@H](O)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000896827672 685305789 /nfs/dbraw/zinc/30/57/89/685305789.db2.gz UKQLCFQWCOIARS-NSHDSACASA-N 0 0 335.303 2.356 10 10 EECERN CCOC(=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897420223 689348589 /nfs/dbraw/zinc/34/85/89/689348589.db2.gz OBIRITJPPAZIRG-UHFFFAOYSA-N 0 0 335.381 2.386 10 10 EECERN Cc1cnc(F)cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000898983162 693557597 /nfs/dbraw/zinc/55/75/97/693557597.db2.gz OZERJAHBSFAIMK-UHFFFAOYSA-N 0 0 343.402 2.420 10 10 EECERN CC(=O)N(C)c1ccc(NC(=O)NCc2c(O)cccc2F)cn1 ZINC001625802751 1176145634 /nfs/dbraw/zinc/14/56/34/1176145634.db2.gz UFLKZZMTJJTWSS-UHFFFAOYSA-N 0 0 332.335 2.231 10 10 EECERN Cc1cc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(C)n1-c1ccccn1 ZINC000863730404 1197841289 /nfs/dbraw/zinc/84/12/89/1197841289.db2.gz FFUKKNYXBZGXOM-YXJHDRRASA-N 0 0 325.412 2.475 10 10 EECERN COC(=O)c1cc(OCc2nnc(C)n2C2CC2)ccc1N(C)C ZINC000865396682 1198196008 /nfs/dbraw/zinc/19/60/08/1198196008.db2.gz YUIWJGOXBNRTDF-UHFFFAOYSA-N 0 0 330.388 2.353 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001137464984 1248641463 /nfs/dbraw/zinc/64/14/63/1248641463.db2.gz ZUAHFJXWWNBVJL-UHFFFAOYSA-N 0 0 342.273 2.190 10 10 EECERN COCC[C@@H](COC)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000811958381 1200431442 /nfs/dbraw/zinc/43/14/42/1200431442.db2.gz ULQXKTUQFHXQMJ-AWEZNQCLSA-N 0 0 336.432 2.122 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC(C2CC2)C1 ZINC000813041844 1201065715 /nfs/dbraw/zinc/06/57/15/1201065715.db2.gz CJMCUJZEXKQDGM-UHFFFAOYSA-N 0 0 333.407 2.214 10 10 EECERN C[C@@H]1Oc2ccccc2N(CC(=O)N2Cc3cccc(O)c3C2)C1=O ZINC000871198352 1201096277 /nfs/dbraw/zinc/09/62/77/1201096277.db2.gz ICNWMAIJSHQBOT-LBPRGKRZSA-N 0 0 338.363 2.049 10 10 EECERN COc1ccc(O)c(CNC(=O)NCc2nccn2CC(C)C)c1 ZINC000074261801 1201277704 /nfs/dbraw/zinc/27/77/04/1201277704.db2.gz JWNLRDLNYORUBG-UHFFFAOYSA-N 0 0 332.404 2.253 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4CSC[C@@H]4C3)cc2N1 ZINC000866204145 1201464044 /nfs/dbraw/zinc/46/40/44/1201464044.db2.gz VHNJBJVDGVFVBA-ZJUUUORDSA-N 0 0 335.385 2.115 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)/C=C\COC2CCOCC2)c1 ZINC000866763492 1201600506 /nfs/dbraw/zinc/60/05/06/1201600506.db2.gz DWXQAXCKRRQPRT-SCOBNMCVSA-N 0 0 335.400 2.330 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)c1 ZINC000866765111 1201600990 /nfs/dbraw/zinc/60/09/90/1201600990.db2.gz RTCOFKRXSGIAKU-WCQYABFASA-N 0 0 345.399 2.050 10 10 EECERN Cn1cc(S(=O)(=O)N2Cc3cccc(O)c3C2)c(C(C)(C)C)n1 ZINC000867690490 1201660028 /nfs/dbraw/zinc/66/00/28/1201660028.db2.gz FXSUBIAJPAONCO-UHFFFAOYSA-N 0 0 335.429 2.128 10 10 EECERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)c1ccccc1O ZINC000867833839 1201690433 /nfs/dbraw/zinc/69/04/33/1201690433.db2.gz BYKAEIULYOJJII-GFCCVEGCSA-N 0 0 332.425 2.424 10 10 EECERN COc1ccc(CNC(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)c(O)c1 ZINC000869005030 1201922546 /nfs/dbraw/zinc/92/25/46/1201922546.db2.gz NKJCFUUGNSUKJY-RHSMWYFYSA-N 0 0 334.416 2.405 10 10 EECERN CCCC(=O)N[C@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001299501107 1205307117 /nfs/dbraw/zinc/30/71/17/1205307117.db2.gz MLLXCFRMYKZFSE-QGZVFWFLSA-N 0 0 345.403 2.370 10 10 EECERN CN(C)c1ccc(CN2C(=O)N[C@@H](CC3CCOCC3)C2=O)cc1F ZINC000924542721 1205993573 /nfs/dbraw/zinc/99/35/73/1205993573.db2.gz NVLUINNBHULGFQ-HNNXBMFYSA-N 0 0 349.406 2.129 10 10 EECERN COc1cccc(CNC(=O)N[C@@H](c2ncccn2)C2CC2)c1O ZINC000925453023 1206113745 /nfs/dbraw/zinc/11/37/45/1206113745.db2.gz FHGBFNTZQZPYHW-CQSZACIVSA-N 0 0 328.372 2.141 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N[C@H]1CC12CC(O)C2 ZINC000931783664 1207462592 /nfs/dbraw/zinc/46/25/92/1207462592.db2.gz JJHQXZCCMJYLMH-MMSRSVNZSA-N 0 0 349.394 2.431 10 10 EECERN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1[O-] ZINC000933754560 1207834290 /nfs/dbraw/zinc/83/42/90/1207834290.db2.gz GLSBRKUSQAGRLE-SJCJKPOMSA-N 0 0 336.819 2.336 10 10 EECERN Cc1ccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)c(O)c1O ZINC000779350781 1210025534 /nfs/dbraw/zinc/02/55/34/1210025534.db2.gz GYKHCFJQOHWJLK-UHFFFAOYSA-N 0 0 326.352 2.307 10 10 EECERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000191581616 1210286837 /nfs/dbraw/zinc/28/68/37/1210286837.db2.gz SZZATIUPRUUFEH-UHFFFAOYSA-N 0 0 343.387 2.124 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1COc2ccccc2O1 ZINC000779491641 1210396058 /nfs/dbraw/zinc/39/60/58/1210396058.db2.gz RTOZHPORYLYQLU-WOLRVDTOSA-N 0 0 327.336 2.067 10 10 EECERN COC(=O)CCCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000779748476 1210896467 /nfs/dbraw/zinc/89/64/67/1210896467.db2.gz GHHPNCUVIVRBSE-HNNXBMFYSA-N 0 0 348.443 2.434 10 10 EECERN CCN(CC)c1ccc(CNC(=O)/C=C\Cn2cncn2)cc1F ZINC000900638140 1234594728 /nfs/dbraw/zinc/59/47/28/1234594728.db2.gz TZJBQMCNTVLBCL-WAYWQWQTSA-N 0 0 331.395 2.136 10 10 EECERN C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])CS1(=O)=O ZINC000850368218 1277202553 /nfs/dbraw/zinc/20/25/53/1277202553.db2.gz JWTNESCBBHLDAD-KOLCDFICSA-N 0 0 348.262 2.210 10 10 EECERN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CS1(=O)=O ZINC000850367774 1277202645 /nfs/dbraw/zinc/20/26/45/1277202645.db2.gz CZELSULMFKPACK-LDYMZIIASA-N 0 0 348.808 2.009 10 10 EECERN C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850507343 1277253518 /nfs/dbraw/zinc/25/35/18/1277253518.db2.gz IVJACAHPYDAIKM-NHYWBVRUSA-N 0 0 349.349 2.230 10 10 EECERN O=C([O-])c1cnn2c1[nH]c(C[N@H+](CCC1CC1)CC1CC1)cc2=O ZINC000851709115 1277720728 /nfs/dbraw/zinc/72/07/28/1277720728.db2.gz FILJFNYQAARRKR-UHFFFAOYSA-N 0 0 330.388 2.145 10 10 EECERN CC(CO)(CO)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001186594758 1279167024 /nfs/dbraw/zinc/16/70/24/1279167024.db2.gz WVQHGZBLILIJRF-UHFFFAOYSA-N 0 0 344.367 2.229 10 10 EECERN CC[C@]1(C)CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852451249 1292117624 /nfs/dbraw/zinc/11/76/24/1292117624.db2.gz GLLWDBQVSLPKAM-DNVCBOLYSA-N 0 0 347.459 2.484 10 10 EECERN CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852452295 1292117675 /nfs/dbraw/zinc/11/76/75/1292117675.db2.gz UWYGQDKELUINMP-MAUKXSAKSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](OC)C[C@@H]3C)C2)cc1 ZINC000852451117 1292117982 /nfs/dbraw/zinc/11/79/82/1292117982.db2.gz DPRDFXAGDVJXJX-RLFYNMQTSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](OC)C3)C2)cc1 ZINC000852455296 1292118916 /nfs/dbraw/zinc/11/89/16/1292118916.db2.gz UNJZPAYFYZVACZ-PBHICJAKSA-N 0 0 333.432 2.094 10 10 EECERN CCNC(=O)NCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854636555 1292901170 /nfs/dbraw/zinc/90/11/70/1292901170.db2.gz FWOCAKHGRBRPRS-UHFFFAOYSA-N 0 0 342.443 2.072 10 10 EECERN COc1cc(CCC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)on1 ZINC000855226794 1293118906 /nfs/dbraw/zinc/11/89/06/1293118906.db2.gz UGYHCXITBOYTQL-ZDUSSCGKSA-N 0 0 345.399 2.020 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCC1(O)CCC(F)(F)CC1 ZINC000856202165 1293441997 /nfs/dbraw/zinc/44/19/97/1293441997.db2.gz FHGIETXRTWBEJH-DUXPYHPUSA-N 0 0 327.327 2.168 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000856779988 1293628968 /nfs/dbraw/zinc/62/89/68/1293628968.db2.gz CKWBTZQUMCWDRM-MDUKQBBOSA-N 0 0 334.372 2.236 10 10 EECERN O=C1[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C1CCC1 ZINC000858342379 1294089496 /nfs/dbraw/zinc/08/94/96/1294089496.db2.gz LECTZDVRYSBBHM-LBPRGKRZSA-N 0 0 339.779 2.197 10 10 EECERN CN(C)c1cc(F)c(CN2CCO[C@]3(CCCOC3)C2)cc1F ZINC000862362965 1295804192 /nfs/dbraw/zinc/80/41/92/1295804192.db2.gz HYQITGZKWRCANI-QGZVFWFLSA-N 0 0 326.387 2.412 10 10 EECERN CN(C)c1cc(F)c(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1F ZINC000862386719 1295821563 /nfs/dbraw/zinc/82/15/63/1295821563.db2.gz AOGPIJKUVJZPAL-GDBMZVCRSA-N 0 0 344.427 2.182 10 10 EECERN Nc1ccc(Cc2noc(-c3ccn(C4CCOCC4)n3)n2)cc1 ZINC000863656150 1296367911 /nfs/dbraw/zinc/36/79/11/1296367911.db2.gz NDVHVDVIQCKOLE-UHFFFAOYSA-N 0 0 325.372 2.458 10 10 EECERN COc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1O ZINC000797819545 1304844395 /nfs/dbraw/zinc/84/43/95/1304844395.db2.gz LXAKCBHAQXMFEK-UHFFFAOYSA-N 0 0 338.341 2.418 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@](C)(F)C1 ZINC001117854721 1306192821 /nfs/dbraw/zinc/19/28/21/1306192821.db2.gz XLPOYIWEBMVDIZ-SFHVURJKSA-N 0 0 336.407 2.481 10 10 EECERN C[C@@H](NC(=O)C(=O)NC[C@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC001119756128 1309190465 /nfs/dbraw/zinc/19/04/65/1309190465.db2.gz DIMCEQVBTDFQLF-KUHUBIRLSA-N 0 0 347.459 2.005 10 10 EECERN COc1ccc2c(c1)CCN(C(=O)Cc1ccc(O)c(O)c1)CC2 ZINC001138413268 1314609356 /nfs/dbraw/zinc/60/93/56/1314609356.db2.gz IINWZFGVGXIDFI-UHFFFAOYSA-N 0 0 327.380 2.276 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1N1CCC(O)CC1 ZINC001141974761 1315406071 /nfs/dbraw/zinc/40/60/71/1315406071.db2.gz XRDISXBZMFJVNP-UHFFFAOYSA-N 0 0 342.395 2.240 10 10 EECERN COc1ncncc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843391556 1315905663 /nfs/dbraw/zinc/90/56/63/1315905663.db2.gz YKCGZBZBMFQEID-INIZCTEOSA-N 0 0 329.400 2.372 10 10 EECERN CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001149307962 1315943516 /nfs/dbraw/zinc/94/35/16/1315943516.db2.gz GMAZGPJBHAJPKP-GFCCVEGCSA-N 0 0 346.349 2.125 10 10 EECERN CCc1nnc(N2CC[C@@H](OC)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001293174325 1328626802 /nfs/dbraw/zinc/62/68/02/1328626802.db2.gz ZXRFGCRDTSLGFS-CQSZACIVSA-N 0 0 347.438 2.319 10 10 EECERN O=C(C[C@@H](n1cccn1)C(F)(F)F)NCc1cc(O)ccc1O ZINC001153885111 1316908314 /nfs/dbraw/zinc/90/83/14/1316908314.db2.gz KVAZMFWJEKFGQG-GFCCVEGCSA-N 0 0 329.278 2.104 10 10 EECERN CC[C@](NC(=O)c1cc2cc(O)c(O)cc2s1)(C(N)=O)C(C)C ZINC001153989133 1316931104 /nfs/dbraw/zinc/93/11/04/1316931104.db2.gz NAHWNTIEGQFILV-MRXNPFEDSA-N 0 0 336.413 2.332 10 10 EECERN C[C@H](NC(=O)CCC(=O)NCc1c(O)cccc1O)c1ccccc1 ZINC001156885952 1318264233 /nfs/dbraw/zinc/26/42/33/1318264233.db2.gz PZOHSHQNPAVCKT-ZDUSSCGKSA-N 0 0 342.395 2.372 10 10 EECERN CC[C@H](C)C(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001283498757 1326099852 /nfs/dbraw/zinc/09/98/52/1326099852.db2.gz YGEYVAOXZYVEDX-LBPRGKRZSA-N 0 0 347.419 2.473 10 10 EECERN COc1cc(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)C=C(C)C)cc(OC)n1 ZINC001288507758 1327817154 /nfs/dbraw/zinc/81/71/54/1327817154.db2.gz NCUOBFDCDVVATB-OLZOCXBDSA-N 0 0 349.431 2.078 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001292283425 1328380619 /nfs/dbraw/zinc/38/06/19/1328380619.db2.gz VNLJEYSLMHZOOY-INIZCTEOSA-N 0 0 347.346 2.150 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC001292323539 1328383895 /nfs/dbraw/zinc/38/38/95/1328383895.db2.gz BUHDNCOLGCJVJX-LLVKDONJSA-N 0 0 343.309 2.215 10 10 EECERN CCNC(=O)C(C)(C)Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001296224437 1329875949 /nfs/dbraw/zinc/87/59/49/1329875949.db2.gz MEQOEULOSBXDSP-UHFFFAOYSA-N 0 0 345.447 2.091 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]12CCC[C@]1(OC)OCC2 ZINC001297562571 1329983752 /nfs/dbraw/zinc/98/37/52/1329983752.db2.gz MSFLZTHUBLZQEK-ROUUACIJSA-N 0 0 340.416 2.427 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1N=NC(=O)N1C ZINC001299993131 1330170024 /nfs/dbraw/zinc/17/00/24/1330170024.db2.gz AIRSZEFWFVIDCU-UHFFFAOYSA-N 0 0 339.399 2.167 10 10 EECERN Cc1cnc(CN[C@H](C)CNC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001491689735 1330207126 /nfs/dbraw/zinc/20/71/26/1330207126.db2.gz FMOWURLZEDHAAR-SNVBAGLBSA-N 0 0 344.375 2.054 10 10 EECERN C/C=C(\C)C(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001492314590 1331151138 /nfs/dbraw/zinc/15/11/38/1331151138.db2.gz GYEFLMWLURAIOP-XIBZFINVSA-N 0 0 345.403 2.394 10 10 EECERN C[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC(F)F ZINC001326423317 1334090765 /nfs/dbraw/zinc/09/07/65/1334090765.db2.gz SDXOZWBJMUOSGB-VXGBXAGGSA-N 0 0 341.402 2.337 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCC3CCOCC3)C2)cc1 ZINC001327560856 1334314924 /nfs/dbraw/zinc/31/49/24/1334314924.db2.gz AMBSMEPMVQZBMW-INIZCTEOSA-N 0 0 347.459 2.390 10 10 EECERN CCC[C@@H](CC)NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328884961 1334541027 /nfs/dbraw/zinc/54/10/27/1334541027.db2.gz FEZZCUUFOLHYIW-CABCVRRESA-N 0 0 347.459 2.085 10 10 EECERN O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1c(O)cccc1F ZINC001611667091 1352303492 /nfs/dbraw/zinc/30/34/92/1352303492.db2.gz NUFRKKAHSMSIRG-UHFFFAOYSA-N 0 0 327.315 2.039 10 10 EECERN O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC001615088926 1352322982 /nfs/dbraw/zinc/32/29/82/1352322982.db2.gz XVZIVDVVMDZQLU-OAHLLOKOSA-N 0 0 341.363 2.446 10 10 EECERN COc1cc(C(=O)NCc2c(O)cccc2O)cc2c1O[C@H](C)C2 ZINC001558533776 1342480459 /nfs/dbraw/zinc/48/04/59/1342480459.db2.gz JQLFXFROGYUNOO-SNVBAGLBSA-N 0 0 329.352 2.360 10 10 EECERN O=C(C1=CC(=O)CS1)N1CCc2[nH]cnc2[C@H]1c1cccnc1 ZINC001570722833 1343106847 /nfs/dbraw/zinc/10/68/47/1343106847.db2.gz FNRGJKCYJSZWJJ-OAHLLOKOSA-N 0 0 326.381 2.360 10 10 EECERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001583516810 1344910961 /nfs/dbraw/zinc/91/09/61/1344910961.db2.gz WSRPUVDBQBYVII-NSHDSACASA-N 0 0 344.367 2.252 10 10 EECERN O=C(c1cc(=O)[nH]cc1Br)N1Cc2cccc(O)c2C1 ZINC001587933424 1348875054 /nfs/dbraw/zinc/87/50/54/1348875054.db2.gz VGCAXSOKPNAJFB-UHFFFAOYSA-N 0 0 335.157 2.411 10 10 EECERN Cc1nc[nH]c1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001596358827 1349906006 /nfs/dbraw/zinc/90/60/06/1349906006.db2.gz KHDCZYCQNSHEAJ-UHFFFAOYSA-N 0 0 330.457 2.130 10 10 EECERN CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2c(O)cccc2O)c1 ZINC001597569976 1349928095 /nfs/dbraw/zinc/92/80/95/1349928095.db2.gz YVVLNWUHZFLPOC-LBPRGKRZSA-N 0 0 329.352 2.384 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(F)cc(N2CCOCC2)c1 ZINC001598239594 1349936811 /nfs/dbraw/zinc/93/68/11/1349936811.db2.gz FDVDAMSDIHEEMR-UHFFFAOYSA-N 0 0 346.358 2.255 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)nc(CO)n2C ZINC001622317177 1352381383 /nfs/dbraw/zinc/38/13/83/1352381383.db2.gz AJDQUQBHCOCIRA-UHFFFAOYSA-N 0 0 325.368 2.043 10 10 EECERN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(O)cc1O ZINC001626838098 1352474950 /nfs/dbraw/zinc/47/49/50/1352474950.db2.gz NMFSUTJTUVNBRM-WDEREUQCSA-N 0 0 338.404 2.263 10 10 EECERN C[C@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1ccccc1O ZINC001632250618 1352595380 /nfs/dbraw/zinc/59/53/80/1352595380.db2.gz YOBZRUGLEFXFEZ-ZBEGNZNMSA-N 0 0 326.352 2.359 10 10 EECERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cc(O)ccc1O ZINC001637122662 1352672050 /nfs/dbraw/zinc/67/20/50/1352672050.db2.gz MEDFCFHWPQYRRT-UHFFFAOYSA-N 0 0 334.353 2.415 10 10 EECERN COc1ccc2c(c1)C=C(C(=O)NCc1c(O)cccc1O)CO2 ZINC001639288878 1352696509 /nfs/dbraw/zinc/69/65/09/1352696509.db2.gz ACZIDLPQUJEOGP-UHFFFAOYSA-N 0 0 327.336 2.199 10 10 EECERN O=C(NCc1cc(O)ccc1O)C1(c2ccccc2)CCOCC1 ZINC001644752334 1352768056 /nfs/dbraw/zinc/76/80/56/1352768056.db2.gz BCMUVTSPOPMPGS-UHFFFAOYSA-N 0 0 327.380 2.462 10 10 EECERN Cn1cc(C(=O)NCc2cc(O)ccc2O)c(-c2cccs2)n1 ZINC001651223168 1354045085 /nfs/dbraw/zinc/04/50/85/1354045085.db2.gz YFOBASRGWYRLDX-UHFFFAOYSA-N 0 0 329.381 2.490 10 10 EECERN CCOC(=O)c1ccnc(N2Cc3cccc(O)c3C2)c1[N+](=O)[O-] ZINC001651352645 1354049649 /nfs/dbraw/zinc/04/96/49/1354049649.db2.gz BWHQIOXKWKXJDA-UHFFFAOYSA-N 0 0 329.312 2.392 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc2c(c1)SCC(=O)N2 ZINC001652626170 1354097414 /nfs/dbraw/zinc/09/74/14/1354097414.db2.gz RBFXQAWQAXPIAA-UHFFFAOYSA-N 0 0 330.365 2.072 10 10 EECERN O=C(Cc1c[nH]c2cnc(Cl)cc12)NCc1c(O)cccc1O ZINC001652629055 1354097950 /nfs/dbraw/zinc/09/79/50/1354097950.db2.gz URIQVIRSGAWROU-UHFFFAOYSA-N 0 0 331.759 2.486 10 10 EECERN CCOC(=O)CN(C)C(=O)CN(CC1CC1)c1ccc(OCC)cc1 ZINC001659793258 1354386902 /nfs/dbraw/zinc/38/69/02/1354386902.db2.gz TUNDOSLJWBKREO-UHFFFAOYSA-N 0 0 348.443 2.323 10 10 EECERN C/C=C(/C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001681553275 1358029340 /nfs/dbraw/zinc/02/93/40/1358029340.db2.gz YEPSBUJRZULCSX-MENMGGHXSA-N 0 0 349.431 2.078 10 10 EECERN C[C@H](NC(=O)NCc1nc(-c2ccccn2)n[nH]1)c1ccccc1O ZINC001682527377 1358163253 /nfs/dbraw/zinc/16/32/53/1358163253.db2.gz RNQVZQYCXKWXEP-NSHDSACASA-N 0 0 338.371 2.133 10 10 EECERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001141833917 782463315 /nfs/dbraw/zinc/46/33/15/782463315.db2.gz VUQJOODUANTHAC-DTWKUNHWSA-N 0 0 334.397 2.039 10 10 EECERN O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1c(F)ccc(O)c1O ZINC000846661246 790325401 /nfs/dbraw/zinc/32/54/01/790325401.db2.gz OSQGWRCUBRFLGV-RISCZKNCSA-N 0 0 332.331 2.282 10 10 EECERN Cc1cc(CCNC(=O)NCc2ccc(N(C)C)cc2C)nn1C ZINC000919081986 769574567 /nfs/dbraw/zinc/57/45/67/769574567.db2.gz QAGHORGDWXJTPT-UHFFFAOYSA-N 0 0 329.448 2.145 10 10 EECERN C[C@@H](NC(=O)NCc1c(O)cccc1F)C(=O)N1CCCC[C@H]1C ZINC000919373650 769828534 /nfs/dbraw/zinc/82/85/34/769828534.db2.gz CPDJATFJKANSTG-VXGBXAGGSA-N 0 0 337.395 2.120 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(-n2cncn2)c1 ZINC000183488740 781046015 /nfs/dbraw/zinc/04/60/15/781046015.db2.gz DGGQRAJWUYDLOG-GFCCVEGCSA-N 0 0 338.367 2.040 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3nccc(C)n3)C2)cc1 ZINC000819589089 785598092 /nfs/dbraw/zinc/59/80/92/785598092.db2.gz QDGAPFRADPJXPE-CQSZACIVSA-N 0 0 326.400 2.050 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(C)(C)COC ZINC000819700287 785648038 /nfs/dbraw/zinc/64/80/38/785648038.db2.gz XHDBEOQNIMNSSP-UHFFFAOYSA-N 0 0 337.416 2.347 10 10 EECERN Cc1cc(C(=O)N2CCC(CO)(CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000912559125 788245240 /nfs/dbraw/zinc/24/52/40/788245240.db2.gz OPTCHXGVDLZVHO-UHFFFAOYSA-N 0 0 346.402 2.050 10 10 EECERN CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709463 788305567 /nfs/dbraw/zinc/30/55/67/788305567.db2.gz MDLHUTWEYHPGIO-UHFFFAOYSA-N 0 0 332.444 2.269 10 10 EECERN COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1O ZINC000825202190 788496934 /nfs/dbraw/zinc/49/69/34/788496934.db2.gz PRXSNNPAEXWRIR-OCCSQVGLSA-N 0 0 345.848 2.206 10 10 EECERN Cc1cc(C(=O)N2CN(C)C(=O)[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000844101974 788846133 /nfs/dbraw/zinc/84/61/33/788846133.db2.gz IFLAIRKYFJUJJU-ZDUSSCGKSA-N 0 0 329.375 2.493 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000151401363 788934193 /nfs/dbraw/zinc/93/41/93/788934193.db2.gz ZLZBZFNRJZGVRD-UHFFFAOYSA-N 0 0 349.412 2.280 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000163907663 789041800 /nfs/dbraw/zinc/04/18/00/789041800.db2.gz YYGSACKTOTYEIL-UHFFFAOYSA-N 0 0 328.372 2.330 10 10 EECERN CCC[C@H](O)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000923185951 789082016 /nfs/dbraw/zinc/08/20/16/789082016.db2.gz GTUFWBZYNWXNEG-ZBFHGGJFSA-N 0 0 335.448 2.124 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000921545633 789157062 /nfs/dbraw/zinc/15/70/62/789157062.db2.gz UQINAMDYBYYTHP-BZNIZROVSA-N 0 0 340.420 2.385 10 10 EECERN Cc1cc(C(=O)CN(C)S(C)(=O)=O)c(C)n1-c1ccccc1C ZINC000171988911 791514273 /nfs/dbraw/zinc/51/42/73/791514273.db2.gz RRWHYHQJHWRHDJ-UHFFFAOYSA-N 0 0 334.441 2.477 10 10 EECERN COc1ccc(O)c(CNC(=O)NCCCc2nc(C(C)C)no2)c1 ZINC000172073779 791536916 /nfs/dbraw/zinc/53/69/16/791536916.db2.gz GFGHSQIXOCJDBR-UHFFFAOYSA-N 0 0 348.403 2.339 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NN1CCOC1=O ZINC001147461724 791828556 /nfs/dbraw/zinc/82/85/56/791828556.db2.gz YLPCAIIQKYVPEN-UHFFFAOYSA-N 0 0 327.340 2.004 10 10 EECERN C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1F)c1ccccc1O ZINC001171729398 796707083 /nfs/dbraw/zinc/70/70/83/796707083.db2.gz BNXGNWZNKHHWFI-JTQLQIEISA-N 0 0 337.372 2.426 10 10 EECERN C[C@H](NC(=O)Cn1cnc(-c2ccccc2)cc1=O)c1ccccc1O ZINC001171738143 796733995 /nfs/dbraw/zinc/73/39/95/796733995.db2.gz WZDADTRGMIWAOR-AWEZNQCLSA-N 0 0 349.390 2.493 10 10 EECERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000154465915 798298857 /nfs/dbraw/zinc/29/88/57/798298857.db2.gz JYOGGMCPHCBURM-CQSZACIVSA-N 0 0 331.460 2.211 10 10 EECERN COc1cccc(CNC(=O)NCC[C@H](OC)C(F)(F)F)c1O ZINC000786852951 806920014 /nfs/dbraw/zinc/92/00/14/806920014.db2.gz MUCORIKSQWHMIM-NSHDSACASA-N 0 0 336.310 2.167 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000786994758 806958800 /nfs/dbraw/zinc/95/88/00/806958800.db2.gz BUWFUIPWJLKAKT-XOIINTDNSA-N 0 0 333.407 2.260 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000787408034 807118871 /nfs/dbraw/zinc/11/88/71/807118871.db2.gz SCKHTORMHODGBQ-BCDXTJNWSA-N 0 0 329.444 2.463 10 10 EECERN CCN(CC)c1ccc(CN[C@@H](C(=O)OC)c2ccn(C)n2)cc1 ZINC000787438044 807119721 /nfs/dbraw/zinc/11/97/21/807119721.db2.gz GKGSOUDAONQBMB-QGZVFWFLSA-N 0 0 330.432 2.270 10 10 EECERN CC1(F)CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000792041576 809573520 /nfs/dbraw/zinc/57/35/20/809573520.db2.gz XSJSXYZFZYCSBF-UHFFFAOYSA-N 0 0 339.386 2.040 10 10 EECERN CO[C@H](C)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805075756 811144731 /nfs/dbraw/zinc/14/47/31/811144731.db2.gz FBATYTSUPUHNQE-SECBINFHSA-N 0 0 331.210 2.379 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H](CO)c2cccnc2)c1[O-] ZINC000808431425 812653087 /nfs/dbraw/zinc/65/30/87/812653087.db2.gz SQSZSYAYPBKUNA-GFCCVEGCSA-N 0 0 337.763 2.215 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000808533677 812705100 /nfs/dbraw/zinc/70/51/00/812705100.db2.gz WCCUGKADFUHKNA-UHFFFAOYSA-N 0 0 341.150 2.494 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001566374559 1125598055 /nfs/dbraw/zinc/59/80/55/1125598055.db2.gz MSJZNOFEYQHHET-VIFPVBQESA-N 0 0 331.328 2.382 10 10 EECERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1nnc2ccccn21 ZINC001441024954 1094312633 /nfs/dbraw/zinc/31/26/33/1094312633.db2.gz PFNMJRPZSNBDOZ-JTQLQIEISA-N 0 0 337.343 2.383 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC001452030618 1098133984 /nfs/dbraw/zinc/13/39/84/1098133984.db2.gz NBFHXKGKHTUAII-SFHVURJKSA-N 0 0 331.412 2.448 10 10 EECERN CCc1nnc(N(C)Cc2ccccc2O)n1CCCn1cccn1 ZINC001498675889 1107928740 /nfs/dbraw/zinc/92/87/40/1107928740.db2.gz UXJAJUAIIZRXPH-UHFFFAOYSA-N 0 0 340.431 2.469 10 10 EECERN CCS(=O)(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001465048473 1110409872 /nfs/dbraw/zinc/40/98/72/1110409872.db2.gz VRJRXZNLOURAHS-UHFFFAOYSA-N 0 0 335.381 2.073 10 10 EECERN Cc1c(Br)cnn1CC(=O)N(C)Cc1ccccc1O ZINC001465844241 1110424855 /nfs/dbraw/zinc/42/48/55/1110424855.db2.gz KDTFRKSAXOHFFV-UHFFFAOYSA-N 0 0 338.205 2.318 10 10 EECERN CC[C@](NC(=O)Cc1ccc(O)c(O)c1)(C(=O)OC)c1ccccc1 ZINC001467935085 1110466475 /nfs/dbraw/zinc/46/64/75/1110466475.db2.gz JEJQSDXCKWVCTQ-LJQANCHMSA-N 0 0 343.379 2.235 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)cc1 ZINC001468472531 1110474976 /nfs/dbraw/zinc/47/49/76/1110474976.db2.gz KAZAITZUAVXSQW-OAHLLOKOSA-N 0 0 344.346 2.322 10 10 EECERN COc1ccc(/C=C/C(=O)NCc2ccc(O)cc2O)cc1OC ZINC001469160948 1110486226 /nfs/dbraw/zinc/48/62/26/1110486226.db2.gz GFJMFHMCSBQZOI-XBXARRHUSA-N 0 0 329.352 2.445 10 10 EECERN COC(=O)[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CCCC(C)(C)C1 ZINC001470234518 1110503447 /nfs/dbraw/zinc/50/34/47/1110503447.db2.gz SGNOFQMSLHQFCI-SFHVURJKSA-N 0 0 335.400 2.269 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc(C(F)F)no2)c1 ZINC001471393883 1110522070 /nfs/dbraw/zinc/52/20/70/1110522070.db2.gz IIUOFQCIUPEFCG-SSDOTTSWSA-N 0 0 342.302 2.282 10 10 EECERN Cc1cc(CC(=O)NCc2nccc(N)n2)c(C)n1-c1ccccc1 ZINC001546187394 1110524398 /nfs/dbraw/zinc/52/43/98/1110524398.db2.gz NYJOJFVTMNIIGL-UHFFFAOYSA-N 0 0 335.411 2.325 10 10 EECERN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1cccc(O)c1O ZINC001471746048 1110529661 /nfs/dbraw/zinc/52/96/61/1110529661.db2.gz KWAASOIUWLWZKB-ZDUSSCGKSA-N 0 0 342.351 2.195 10 10 EECERN O=C(NCc1ccccc1Cn1ccnc1)c1c(F)ccc(O)c1O ZINC001472574961 1110559523 /nfs/dbraw/zinc/55/95/23/1110559523.db2.gz CSJQPGSKZMVEGO-UHFFFAOYSA-N 0 0 341.342 2.412 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001523560321 1119811330 /nfs/dbraw/zinc/81/13/30/1119811330.db2.gz QWLOZIBOQDKSCO-IBGZPJMESA-N 0 0 329.444 2.162 10 10 EECERN COCc1nc([C@@H]2COCCN2Cc2cc(C)c(C)cc2O)no1 ZINC000374801964 238275769 /nfs/dbraw/zinc/27/57/69/238275769.db2.gz PFCJPHQDYHTVSB-AWEZNQCLSA-N 0 0 333.388 2.112 10 10 EECERN CCC1(CC)CN(C(=O)c2ccc(C)c(O)c2O)CC[S@]1=O ZINC000183880139 782041546 /nfs/dbraw/zinc/04/15/46/782041546.db2.gz JHJPFUJJXYNWNP-JOCHJYFZSA-N 0 0 325.430 2.170 10 10 EECERN COc1ccc2c(c1)CCN2Cc1c(C)nn(C)c1N1CCOCC1 ZINC000127699512 462576337 /nfs/dbraw/zinc/57/63/37/462576337.db2.gz MYEHCCXRCOQVND-UHFFFAOYSA-N 0 0 342.443 2.136 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000132638219 462868908 /nfs/dbraw/zinc/86/89/08/462868908.db2.gz KJSPVLGPJFSGBH-UABRLCRWSA-N 0 0 334.372 2.380 10 10 EECERN COc1ccc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)cc1F ZINC000134070509 462999586 /nfs/dbraw/zinc/99/95/86/462999586.db2.gz UEDVZZQMMGKRPA-UHFFFAOYSA-N 0 0 344.386 2.431 10 10 EECERN COc1cccc(-n2nnc(C(=O)NCc3ccccc3O)c2C)c1 ZINC000084057971 463574538 /nfs/dbraw/zinc/57/45/38/463574538.db2.gz DQFGEKLSTKEPFL-UHFFFAOYSA-N 0 0 338.367 2.220 10 10 EECERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000164804851 463633537 /nfs/dbraw/zinc/63/35/37/463633537.db2.gz DTXQYWFVIHRPRC-CZUORRHYSA-N 0 0 345.422 2.440 10 10 EECERN CCN(CC)c1ccc(CNc2nc3c(cnn3C)c(N)n2)cc1 ZINC000278433566 463964703 /nfs/dbraw/zinc/96/47/03/463964703.db2.gz PXPRXJYBDXYQHR-UHFFFAOYSA-N 0 0 325.420 2.404 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@H](OC)C3)CC2)cc1 ZINC000187895665 464172053 /nfs/dbraw/zinc/17/20/53/464172053.db2.gz QLPGVOFBNGGXDO-QAPCUYQASA-N 0 0 347.459 2.484 10 10 EECERN C[C@@H]1CN(c2ccc(CNC(=O)c3ccnnc3)cc2F)C[C@H](C)O1 ZINC000270496654 464258847 /nfs/dbraw/zinc/25/88/47/464258847.db2.gz VSKIUDAMHRKJEU-BETUJISGSA-N 0 0 344.390 2.159 10 10 EECERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(OC)c(OC)cc1O ZINC000276172549 464834773 /nfs/dbraw/zinc/83/47/73/464834773.db2.gz SQJIBTFMINFGOS-ZUCKAHLUSA-N 0 0 335.400 2.183 10 10 EECERN COc1nnc(NC(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000282654719 464898601 /nfs/dbraw/zinc/89/86/01/464898601.db2.gz IDJZMPKRIBKART-UHFFFAOYSA-N 0 0 333.417 2.469 10 10 EECERN COc1cc(OC)c(CNC(=O)c2ccc(C)c(O)c2O)c(OC)c1 ZINC000267628027 464937126 /nfs/dbraw/zinc/93/71/26/464937126.db2.gz WKXGZQVRDWLATB-UHFFFAOYSA-N 0 0 347.367 2.362 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000367888217 466551561 /nfs/dbraw/zinc/55/15/61/466551561.db2.gz XGJPVDDQGWZVNJ-FZMUQLTDSA-N 0 0 341.363 2.417 10 10 EECERN C[C@@H](NCc1cc2c(cc1O)OCO2)c1nnc2n1CCCCC2 ZINC000324722973 466649130 /nfs/dbraw/zinc/64/91/30/466649130.db2.gz GHQRQTBWDANUOS-LLVKDONJSA-N 0 0 330.388 2.290 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@](C)(CO)OC)ccc21 ZINC000655212690 471282347 /nfs/dbraw/zinc/28/23/47/471282347.db2.gz MTURGZGBXVDXDC-IBGZPJMESA-N 0 0 348.443 2.032 10 10 EECERN O=C(c1ccnc2c1CC(=O)N2)N1C[C@H]2CCCN2c2ccccc21 ZINC000668560099 472174526 /nfs/dbraw/zinc/17/45/26/472174526.db2.gz UMLMWJASPWSXHV-GFCCVEGCSA-N 0 0 334.379 2.205 10 10 EECERN CN(Cc1cc[nH]n1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000732674131 577187892 /nfs/dbraw/zinc/18/78/92/577187892.db2.gz JWMUTVCWWOVYQV-UHFFFAOYSA-N 0 0 345.472 2.305 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)c2cnc3n2CCC3)cc1 ZINC000772453685 577273426 /nfs/dbraw/zinc/27/34/26/577273426.db2.gz NXZCQVOAXDIXRT-UHFFFAOYSA-N 0 0 348.472 2.154 10 10 EECERN C[C@@H](NC(=O)N1CCN2C(=O)OCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000773611672 577354488 /nfs/dbraw/zinc/35/44/88/577354488.db2.gz QVKPIYXAYUPKBO-CJNGLKHVSA-N 0 0 346.431 2.050 10 10 EECERN S=C(NCc1cccc(N2CCOCC2)n1)Nc1ccccc1 ZINC000774253448 577391814 /nfs/dbraw/zinc/39/18/14/577391814.db2.gz APBYAIKKEWNGOP-UHFFFAOYSA-N 0 0 328.441 2.405 10 10 EECERN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000775367603 577435954 /nfs/dbraw/zinc/43/59/54/577435954.db2.gz ADUXQMSMMASFMP-VXGBXAGGSA-N 0 0 336.388 2.003 10 10 EECERN Cc1c(NC(=O)C(=O)NCc2ccccc2O)cccc1N(C)C ZINC000776043013 577451096 /nfs/dbraw/zinc/45/10/96/577451096.db2.gz WAIBBHQWHHSYHJ-UHFFFAOYSA-N 0 0 327.384 2.022 10 10 EECERN COc1ccc(O[C@@H](C)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000770629201 577600281 /nfs/dbraw/zinc/60/02/81/577600281.db2.gz GSZUITKAQRHVCJ-LBPRGKRZSA-N 0 0 331.368 2.233 10 10 EECERN CC(C)Oc1ccc(N(C)CCn2nc3ccccn3c2=O)cc1 ZINC000759932305 577654304 /nfs/dbraw/zinc/65/43/04/577654304.db2.gz BJTVAMWMNYRBKL-UHFFFAOYSA-N 0 0 326.400 2.420 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccnc2N(C)C)c1 ZINC000756413161 577843708 /nfs/dbraw/zinc/84/37/08/577843708.db2.gz XYMJMNURIJXSPG-GFCCVEGCSA-N 0 0 329.400 2.491 10 10 EECERN C[C@@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)cc(F)c1[O-] ZINC000757657972 577862020 /nfs/dbraw/zinc/86/20/20/577862020.db2.gz SUABAEPOSKPANE-SSDOTTSWSA-N 0 0 329.173 2.273 10 10 EECERN C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1[O-] ZINC000757658109 577862023 /nfs/dbraw/zinc/86/20/23/577862023.db2.gz VAIHZKNQPNODPL-DOMZBBRYSA-N 0 0 346.406 2.107 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](O)C2CCOCC2)cc1 ZINC000746105238 577922339 /nfs/dbraw/zinc/92/23/39/577922339.db2.gz RLYOEMPNNZFJMZ-SFHVURJKSA-N 0 0 334.460 2.279 10 10 EECERN Cc1cc(CC(=O)NCc2cc(Br)ccc2O)no1 ZINC000804735806 675609900 /nfs/dbraw/zinc/60/99/00/675609900.db2.gz JDAIMRNXEVKHRG-UHFFFAOYSA-N 0 0 325.162 2.310 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cccc(OCC(F)(F)F)n1 ZINC000158962055 683051936 /nfs/dbraw/zinc/05/19/36/683051936.db2.gz NWPYVOLWDHRDRA-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN COc1ccc(O)c([C@@H](C)NCc2nc(Br)nn2C)c1 ZINC000894783627 683093402 /nfs/dbraw/zinc/09/34/02/683093402.db2.gz XFXCBRCYNYUGGI-MRVPVSSYSA-N 0 0 341.209 2.143 10 10 EECERN COc1ccc(N2CCC(NC(=O)[C@H]3CCOC[C@H]3C)CC2)cc1 ZINC000194265942 684927049 /nfs/dbraw/zinc/92/70/49/684927049.db2.gz BPSIJOLKNWCXKZ-KDOFPFPSSA-N 0 0 332.444 2.453 10 10 EECERN COc1ccccc1[C@@H](O)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031098196 693962660 /nfs/dbraw/zinc/96/26/60/693962660.db2.gz LGQZNKKZBZFETJ-KRWDZBQOSA-N 0 0 343.427 2.294 10 10 EECERN C[C@@H]1OCC[C@]12CN(C(=O)c1cc3cc(O)c(O)cc3s1)CCO2 ZINC000897612600 691686257 /nfs/dbraw/zinc/68/62/57/691686257.db2.gz BUSCBOVCAABJGH-BTDLBPIBSA-N 0 0 349.408 2.333 10 10 EECERN C[C@@H](O)CN(CC(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897920737 691823472 /nfs/dbraw/zinc/82/34/72/691823472.db2.gz RKEABEMXYDWXAG-SSDOTTSWSA-N 0 0 331.340 2.401 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001142533873 1188238570 /nfs/dbraw/zinc/23/85/70/1188238570.db2.gz UPMWJOUTHIIGMZ-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1=CCOCC1 ZINC000842248763 1188577666 /nfs/dbraw/zinc/57/76/66/1188577666.db2.gz AWINYJUJQLJGHZ-UHFFFAOYSA-N 0 0 336.775 2.157 10 10 EECERN COC(=O)C1CC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000871545868 1197768592 /nfs/dbraw/zinc/76/85/92/1197768592.db2.gz JUIRJBDFQUOTEL-UHFFFAOYSA-N 0 0 327.384 2.171 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000864931150 1198004142 /nfs/dbraw/zinc/00/41/42/1198004142.db2.gz JWVRFFGKKAZYJT-CQSZACIVSA-N 0 0 343.402 2.477 10 10 EECERN COC(=O)c1cc(OCc2nc(C(F)F)no2)ccc1N(C)C ZINC000865395620 1198194815 /nfs/dbraw/zinc/19/48/15/1198194815.db2.gz YZWQNXBPLUOZDU-UHFFFAOYSA-N 0 0 327.287 2.439 10 10 EECERN Cc1nc(N)nc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000865452245 1198225704 /nfs/dbraw/zinc/22/57/04/1198225704.db2.gz FRLTYOALKDUVPD-PHIMTYICSA-N 0 0 346.410 2.127 10 10 EECERN CNC(=O)[C@@H]1CCCN1Cc1cc(Br)cc(C)c1O ZINC000124557127 1198622190 /nfs/dbraw/zinc/62/21/90/1198622190.db2.gz SOFQOOLRTNJVDK-LBPRGKRZSA-N 0 0 327.222 2.174 10 10 EECERN O=c1c(Cl)c(Cl)cnn1Cc1ccc(N2CCOCC2)cc1 ZINC000877872876 1200142721 /nfs/dbraw/zinc/14/27/21/1200142721.db2.gz VEGMSUQVHJWWRI-UHFFFAOYSA-N 0 0 340.210 2.435 10 10 EECERN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871202401 1201098611 /nfs/dbraw/zinc/09/86/11/1201098611.db2.gz GORLXMIITPPYIW-OAHLLOKOSA-N 0 0 345.443 2.312 10 10 EECERN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)O1 ZINC000868898766 1201901290 /nfs/dbraw/zinc/90/12/90/1201901290.db2.gz BRJVGPKYDIFOJC-GLJUWKHASA-N 0 0 347.459 2.013 10 10 EECERN CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000131131331 1202023936 /nfs/dbraw/zinc/02/39/36/1202023936.db2.gz LEVOTKMTHXNLIV-UHFFFAOYSA-N 0 0 333.409 2.458 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](c2ncccn2)C1 ZINC000924337981 1205961607 /nfs/dbraw/zinc/96/16/07/1205961607.db2.gz YOLXHTFUHCRJBM-DYLGSBMWSA-N 0 0 325.368 2.307 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](c2ncccn2)C1 ZINC000924337983 1205961720 /nfs/dbraw/zinc/96/17/20/1205961720.db2.gz YOLXHTFUHCRJBM-VSKVDJIOSA-N 0 0 325.368 2.307 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NC1CC(CC(N)=O)C1 ZINC000925078081 1206067709 /nfs/dbraw/zinc/06/77/09/1206067709.db2.gz DBYHTFGLHIITKJ-UHFFFAOYSA-N 0 0 333.432 2.358 10 10 EECERN Cc1cc(CCNC(=O)NCc2c(O)ccc3c2CCCC3)nn1C ZINC000926375414 1206217089 /nfs/dbraw/zinc/21/70/89/1206217089.db2.gz MXAMAVXIFRGVAP-UHFFFAOYSA-N 0 0 342.443 2.355 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)c2cc(C=O)n(C)n2)cc1 ZINC000929537054 1206484381 /nfs/dbraw/zinc/48/43/81/1206484381.db2.gz JQLBNORVDUIQSV-UHFFFAOYSA-N 0 0 328.416 2.351 10 10 EECERN Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1c(O)cccc1F ZINC000931139008 1206609988 /nfs/dbraw/zinc/60/99/88/1206609988.db2.gz UCCQUZIBQKSAEP-CQSZACIVSA-N 0 0 334.351 2.438 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C[C@@H]2CCOC2)c1O ZINC000933671795 1207811322 /nfs/dbraw/zinc/81/13/22/1207811322.db2.gz QFVAJMJJHYUEAR-BBRMVZONSA-N 0 0 337.391 2.361 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCCCNC(=O)c1ccccc1 ZINC000779512074 1210403460 /nfs/dbraw/zinc/40/34/60/1210403460.db2.gz XVYUELZMXLBBAZ-CSKARUKUSA-N 0 0 340.379 2.047 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CSCN1C(C)=O ZINC000801545926 1235816002 /nfs/dbraw/zinc/81/60/02/1235816002.db2.gz GEMUTFVMSQLNMJ-OAHLLOKOSA-N 0 0 336.457 2.442 10 10 EECERN COc1ccc(N2CCN(Cc3cn(CC4CC4)nn3)CC2)cc1 ZINC000827311361 1247883360 /nfs/dbraw/zinc/88/33/60/1247883360.db2.gz YXTKJJMFUFTLTD-UHFFFAOYSA-N 0 0 327.432 2.019 10 10 EECERN Cc1cc(CC(=O)NC[C@H]2CCCNC2=O)c(C)n1-c1ccccc1 ZINC000826822604 1248084035 /nfs/dbraw/zinc/08/40/35/1248084035.db2.gz YPZTZUCQGMXMGM-MRXNPFEDSA-N 0 0 339.439 2.279 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000826946222 1248182297 /nfs/dbraw/zinc/18/22/97/1248182297.db2.gz LQJWNAVGIPDHEG-QGZVFWFLSA-N 0 0 340.489 2.329 10 10 EECERN COc1ccc(CNS(=O)(=O)CCCC2CCOCC2)c(O)c1 ZINC000827539793 1248417031 /nfs/dbraw/zinc/41/70/31/1248417031.db2.gz LKDICPRWRBDBJQ-UHFFFAOYSA-N 0 0 343.445 2.027 10 10 EECERN COC(=O)CCN1CCC[C@H](Sc2ncc(Cl)s2)C1=O ZINC000850001473 1276981334 /nfs/dbraw/zinc/98/13/34/1276981334.db2.gz HPLAYAKPZBJQPI-QMMMGPOBSA-N 0 0 334.850 2.443 10 10 EECERN Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850112677 1277041859 /nfs/dbraw/zinc/04/18/59/1277041859.db2.gz SPMHBLACBGOJHI-UHFFFAOYSA-N 0 0 330.266 2.343 10 10 EECERN Cc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000867410014 1289796504 /nfs/dbraw/zinc/79/65/04/1289796504.db2.gz UKIWMHRMLBSXDW-AWEZNQCLSA-N 0 0 348.472 2.069 10 10 EECERN Cc1cncc(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000852138271 1292008264 /nfs/dbraw/zinc/00/82/64/1292008264.db2.gz MCFNLLDGIWMASH-UHFFFAOYSA-N 0 0 337.427 2.203 10 10 EECERN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ncnn21 ZINC000852138475 1292008558 /nfs/dbraw/zinc/00/85/58/1292008558.db2.gz OUVJCFQHYSNHNC-CJNGLKHVSA-N 0 0 338.415 2.160 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccn(C)c3)C2)cc1 ZINC000852165225 1292021656 /nfs/dbraw/zinc/02/16/56/1292021656.db2.gz CMKGSVUTPXEGAZ-OAHLLOKOSA-N 0 0 328.416 2.112 10 10 EECERN COC[C@H](NC(=O)NCc1cc(Cl)ccc1O)C1CCOCC1 ZINC000852470679 1292121995 /nfs/dbraw/zinc/12/19/95/1292121995.db2.gz XDHLRWUKCWBSPM-AWEZNQCLSA-N 0 0 342.823 2.286 10 10 EECERN C[C@]12COC[C@@H]1CN(C(=O)NCCCSc1nccs1)C2 ZINC000853854522 1292489948 /nfs/dbraw/zinc/48/99/48/1292489948.db2.gz BIYJMULYIGFZQT-FZMZJTMJSA-N 0 0 327.475 2.303 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)[C@H]2C[C@@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000853958437 1292554525 /nfs/dbraw/zinc/55/45/25/1292554525.db2.gz CMTXLTLQKYCSIM-BXLSQVKPSA-N 0 0 348.355 2.169 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H]3CCCOC3)C2)cc1 ZINC000854297418 1292708787 /nfs/dbraw/zinc/70/87/87/1292708787.db2.gz NEKMKTRQHWQMQJ-GDBMZVCRSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[C@H](O)C3)C2)cc1 ZINC000854300750 1292712603 /nfs/dbraw/zinc/71/26/03/1292712603.db2.gz ZQEWGVYBZPGXOV-VYDXJSESSA-N 0 0 347.459 2.124 10 10 EECERN COC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854301000 1292712653 /nfs/dbraw/zinc/71/26/53/1292712653.db2.gz GAEJGNDSVVPVJH-HZPDHXFCSA-N 0 0 347.459 2.342 10 10 EECERN CCC[C@H](O)[C@H](CO)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854943376 1292997625 /nfs/dbraw/zinc/99/76/25/1292997625.db2.gz IZBDNVHCUNWHDZ-OALUTQOASA-N 0 0 344.455 2.275 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)n3cccn3)C2)cc1 ZINC000854981185 1293019588 /nfs/dbraw/zinc/01/95/88/1293019588.db2.gz LMUZURWTUBMPDP-OAHLLOKOSA-N 0 0 342.443 2.270 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](OC)C1 ZINC000854988219 1293022755 /nfs/dbraw/zinc/02/27/55/1293022755.db2.gz QMIPHRQVDKJKMT-HIFRSBDPSA-N 0 0 335.400 2.099 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)n3ccnc3)C2)cc1 ZINC000855223345 1293116264 /nfs/dbraw/zinc/11/62/64/1293116264.db2.gz GQCAIMBAULLGMD-HUUCEWRRSA-N 0 0 328.416 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(OC)cn3)C2)cc1 ZINC000855222968 1293116649 /nfs/dbraw/zinc/11/66/49/1293116649.db2.gz AAQAEUNGOLBREA-OAHLLOKOSA-N 0 0 341.411 2.036 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](OC)C(F)(F)F)C2)cc1 ZINC000855225766 1293118645 /nfs/dbraw/zinc/11/86/45/1293118645.db2.gz QDHCPCMHFWBMBL-RISCZKNCSA-N 0 0 346.349 2.358 10 10 EECERN COCc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000856209862 1293445119 /nfs/dbraw/zinc/44/51/19/1293445119.db2.gz FQXVOFAZDZXCQD-UHFFFAOYSA-N 0 0 344.411 2.317 10 10 EECERN CNc1nc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000857302559 1293787561 /nfs/dbraw/zinc/78/75/61/1293787561.db2.gz VRJBNLIWFADBHN-LLVKDONJSA-N 0 0 332.429 2.202 10 10 EECERN C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)cc(F)c1[O-] ZINC000858522679 1294142383 /nfs/dbraw/zinc/14/23/83/1294142383.db2.gz HMPLWHOZHRTRMV-GXSJLCMTSA-N 0 0 347.228 2.275 10 10 EECERN O=C(NC1(C(=O)NCc2ccccc2O)CC1)OCc1ccccc1 ZINC000860233488 1294884578 /nfs/dbraw/zinc/88/45/78/1294884578.db2.gz LRIWCYPFBNJBGI-UHFFFAOYSA-N 0 0 340.379 2.467 10 10 EECERN C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797777672 1304829202 /nfs/dbraw/zinc/82/92/02/1304829202.db2.gz XACIZGWNCHECHU-GZOBEXCFSA-N 0 0 347.411 2.296 10 10 EECERN Cc1cc(C(=O)NC[C@@](C)(O)CO)c(C)n1-c1cc(C)cc(C)c1 ZINC000798264679 1304965501 /nfs/dbraw/zinc/96/55/01/1304965501.db2.gz QPSPPYMUMXWIBJ-LJQANCHMSA-N 0 0 330.428 2.184 10 10 EECERN NC(=O)Cc1occc1C(=O)N1CCc2c1cccc2Br ZINC001299663664 1319851084 /nfs/dbraw/zinc/85/10/84/1319851084.db2.gz KXQZYPJQFZRWGU-UHFFFAOYSA-N 0 0 349.184 2.273 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001138055122 1314538870 /nfs/dbraw/zinc/53/88/70/1314538870.db2.gz NVPPUGRHPFZIIO-MCIONIFRSA-N 0 0 349.427 2.370 10 10 EECERN Cc1nnc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)[nH]1 ZINC001141723578 1315258795 /nfs/dbraw/zinc/25/87/95/1315258795.db2.gz WIOXLROQBPMNPH-UHFFFAOYSA-N 0 0 333.355 2.004 10 10 EECERN COc1ccc(N2CCN(CN3C[C@@H]4CCC[C@H]4C3=O)CC2)cc1 ZINC000839949806 1315262270 /nfs/dbraw/zinc/26/22/70/1315262270.db2.gz QNTATVVGUJHUSG-MAUKXSAKSA-N 0 0 329.444 2.033 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC1(CO)C2CC3CC(C2)CC1C3 ZINC000840520689 1315373313 /nfs/dbraw/zinc/37/33/13/1315373313.db2.gz HPEYMYBKIYCWFV-DUXPYHPUSA-N 0 0 343.423 2.414 10 10 EECERN Nc1ccc(NC(=O)C(=O)NCCCCOCc2ccccc2)cc1 ZINC000841026340 1315457887 /nfs/dbraw/zinc/45/78/87/1315457887.db2.gz YBUMISSLYQFNBB-UHFFFAOYSA-N 0 0 341.411 2.321 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000841571530 1315580564 /nfs/dbraw/zinc/58/05/64/1315580564.db2.gz YSHRRGKWAOROJR-VBQJREDUSA-N 0 0 340.489 2.089 10 10 EECERN CC(C)n1ncc2c1C[C@H](NC(=O)NCCc1ccc(N)cc1)CC2 ZINC000841887001 1315630859 /nfs/dbraw/zinc/63/08/59/1315630859.db2.gz XIXVOKWPEGUFEC-QGZVFWFLSA-N 0 0 341.459 2.445 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cnc2nccnc2c1 ZINC001142727872 1315718080 /nfs/dbraw/zinc/71/80/80/1315718080.db2.gz HNTHEWZNYYMCJY-UHFFFAOYSA-N 0 0 331.335 2.209 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000842518679 1315719627 /nfs/dbraw/zinc/71/96/27/1315719627.db2.gz SZGRUQPBIHWDPY-YESZJQIVSA-N 0 0 343.471 2.406 10 10 EECERN CO[C@H](CS(=O)(=O)Nc1ccc(O)c(Cl)c1)C1CCOCC1 ZINC000842588227 1315726994 /nfs/dbraw/zinc/72/69/94/1315726994.db2.gz MEKIVLIYWDJYMQ-CQSZACIVSA-N 0 0 349.836 2.229 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001153797612 1316885692 /nfs/dbraw/zinc/88/56/92/1316885692.db2.gz CZYZNUSKKJMUEK-AWEZNQCLSA-N 0 0 341.285 2.466 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001156880840 1318257055 /nfs/dbraw/zinc/25/70/55/1318257055.db2.gz DCXGIWKESLBOBU-CHWSQXEVSA-N 0 0 341.363 2.289 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc2c([nH]c1=O)CCCCC2 ZINC001162279282 1320804123 /nfs/dbraw/zinc/80/41/23/1320804123.db2.gz YWXNIVLZSLWPCI-UHFFFAOYSA-N 0 0 328.368 2.397 10 10 EECERN Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NCc1cc(Cl)ccc1O ZINC001165508150 1321536450 /nfs/dbraw/zinc/53/64/50/1321536450.db2.gz MGFOOMADAWKAJT-UHFFFAOYSA-N 0 0 325.777 2.068 10 10 EECERN CC/C(C)=C\C(=O)N(C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001280998357 1324705772 /nfs/dbraw/zinc/70/57/72/1324705772.db2.gz DDBSATUDZOOACJ-FSBNRTBOSA-N 0 0 349.431 2.032 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCn3ncnc32)cc1 ZINC001291710989 1328318334 /nfs/dbraw/zinc/31/83/34/1328318334.db2.gz LMVSDLOOUURESA-INIZCTEOSA-N 0 0 327.432 2.318 10 10 EECERN CCc1nnc(N(C)Cc2ccccc2O)n1CCOCC(F)F ZINC001292841108 1328523247 /nfs/dbraw/zinc/52/32/47/1328523247.db2.gz NXQQKOLWLSTXEY-UHFFFAOYSA-N 0 0 340.374 2.464 10 10 EECERN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cc(O)ccc1O ZINC001303225870 1331350661 /nfs/dbraw/zinc/35/06/61/1331350661.db2.gz QAPCUHKQKLHJAX-NSHDSACASA-N 0 0 338.404 2.360 10 10 EECERN CSc1ncc(Cl)c(C(=O)NCc2c(O)cccc2O)n1 ZINC001304049674 1331374892 /nfs/dbraw/zinc/37/48/92/1331374892.db2.gz CPLKNLHLSFFFLT-UHFFFAOYSA-N 0 0 325.777 2.193 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc2nnc(C(F)F)n2c1 ZINC001304053920 1331375615 /nfs/dbraw/zinc/37/56/15/1331375615.db2.gz WDMFWLFEQPXHIY-UHFFFAOYSA-N 0 0 334.282 2.008 10 10 EECERN CCOc1ccc(N2CCN(C[C@@H]3CN(CC)C(=O)O3)CC2)cc1 ZINC001326715377 1334148754 /nfs/dbraw/zinc/14/87/54/1334148754.db2.gz BCZGTJYDRLFRFB-QGZVFWFLSA-N 0 0 333.432 2.048 10 10 EECERN CC(C)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC001329188192 1334602595 /nfs/dbraw/zinc/60/25/95/1334602595.db2.gz HXNOHCGFCAYLOU-QGZVFWFLSA-N 0 0 331.460 2.262 10 10 EECERN O=C([O-])[C@H](C[C@@H]1CCOC1)[NH2+]Cc1c(O)cccc1Br ZINC001329683502 1334696049 /nfs/dbraw/zinc/69/60/49/1334696049.db2.gz WVNFUTAYZMCOGO-CABZTGNLSA-N 0 0 344.205 2.124 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CCO[C@](C)(COC)C2)cc1 ZINC001331505430 1335024856 /nfs/dbraw/zinc/02/48/56/1335024856.db2.gz UMTJCOGGAGJSJJ-IBGZPJMESA-N 0 0 349.475 2.480 10 10 EECERN CC(C)CC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001334353787 1336243376 /nfs/dbraw/zinc/24/33/76/1336243376.db2.gz PJHJZQIJCGUVCG-LBPRGKRZSA-N 0 0 347.419 2.472 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccnc(OC)c3)C2)cc1 ZINC001334468729 1336257253 /nfs/dbraw/zinc/25/72/53/1336257253.db2.gz CIGGUDJUZNBONS-CQSZACIVSA-N 0 0 327.384 2.108 10 10 EECERN C[C@@H](CN(C)C(=O)CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001336988484 1336626731 /nfs/dbraw/zinc/62/67/31/1336626731.db2.gz VCCCGGDCBGCWOK-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN COc1ccc(N2CC[C@@H](N3C(=O)[C@@H](C)N(C4CC4)C3=O)C2)cc1 ZINC000849358330 1339154241 /nfs/dbraw/zinc/15/42/41/1339154241.db2.gz VZCAYXLKVPSIGB-IUODEOHRSA-N 0 0 329.400 2.089 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCn3ncnc32)cc1F ZINC001616925278 1352333796 /nfs/dbraw/zinc/33/37/96/1352333796.db2.gz VCWIRZYEZVJGHG-AWEZNQCLSA-N 0 0 345.422 2.457 10 10 EECERN Cc1cc(CC(=O)N2CCN(C)C(=O)[C@H]2C)c(C)n1-c1ccccc1 ZINC001435978166 1342005590 /nfs/dbraw/zinc/00/55/90/1342005590.db2.gz XFHLRRRHZQWLIY-MRXNPFEDSA-N 0 0 339.439 2.326 10 10 EECERN C=C/C=C\CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001542180250 1342327906 /nfs/dbraw/zinc/32/79/06/1342327906.db2.gz FDFNYIOOBUSPPN-QGZUEGPWSA-N 0 0 327.428 2.137 10 10 EECERN Cc1cc(C(=O)NC2=NCC(=O)N2C)c(C)n1-c1ccc(Cl)cc1 ZINC001557708941 1342452971 /nfs/dbraw/zinc/45/29/71/1342452971.db2.gz IGEDJNPYOZMBLI-UHFFFAOYSA-N 0 0 344.802 2.305 10 10 EECERN CC(C)C(=O)NC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001678086190 1357463781 /nfs/dbraw/zinc/46/37/81/1357463781.db2.gz ZEYGSSIESRPXGE-NSHDSACASA-N 0 0 333.392 2.082 10 10 EECERN O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1cc(O)ccc1O ZINC001593873702 1349873293 /nfs/dbraw/zinc/87/32/93/1349873293.db2.gz WXCMKVUOIAYUSC-ZDUSSCGKSA-N 0 0 340.379 2.305 10 10 EECERN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NCc1ccc(O)cc1O ZINC001626837823 1352474522 /nfs/dbraw/zinc/47/45/22/1352474522.db2.gz GBGGLLCHIPNLPA-UHFFFAOYSA-N 0 0 341.367 2.319 10 10 EECERN COc1cnc(F)c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001627073465 1352482481 /nfs/dbraw/zinc/48/24/81/1352482481.db2.gz OOAUEEVWKBBYOI-UHFFFAOYSA-N 0 0 327.315 2.413 10 10 EECERN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001633219211 1352607913 /nfs/dbraw/zinc/60/79/13/1352607913.db2.gz DKBFUDUKSXTLAT-SNVBAGLBSA-N 0 0 333.392 2.224 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncnc2sccc21 ZINC001633819562 1352618406 /nfs/dbraw/zinc/61/84/06/1352618406.db2.gz RVQNRIWIOGIZLV-SECBINFHSA-N 0 0 329.381 2.464 10 10 EECERN CCOC(=O)c1cc(C(=O)NCc2ccc3cccnc3c2O)on1 ZINC001638573421 1352689711 /nfs/dbraw/zinc/68/97/11/1352689711.db2.gz WJLKSIOMJMBOOY-UHFFFAOYSA-N 0 0 341.323 2.035 10 10 EECERN O=C(CNC(=O)c1ccccc1Cl)N1Cc2cccc(O)c2C1 ZINC001643170194 1352741160 /nfs/dbraw/zinc/74/11/60/1352741160.db2.gz YURJHVQRKPMMLD-UHFFFAOYSA-N 0 0 330.771 2.318 10 10 EECERN Cn1cnc2cncc(C(=O)NCc3ccc4cccnc4c3O)c21 ZINC001643284991 1352744946 /nfs/dbraw/zinc/74/49/46/1352744946.db2.gz PAYSSIQVEVFVOQ-UHFFFAOYSA-N 0 0 333.351 2.152 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1cnc2c(c1)NC(=O)CS2 ZINC001648606801 1353436150 /nfs/dbraw/zinc/43/61/50/1353436150.db2.gz ZFLIHJUNOYXKKR-UHFFFAOYSA-N 0 0 349.799 2.415 10 10 EECERN Cc1ccc(Br)c(C(=O)NCc2cccc(O)c2O)n1 ZINC001651175877 1354042290 /nfs/dbraw/zinc/04/22/90/1354042290.db2.gz RHZJUINADWDBHU-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN Cc1cccnc1[C@@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC001655076697 1354164356 /nfs/dbraw/zinc/16/43/56/1354164356.db2.gz MACDPBHUAZBYRS-OAHLLOKOSA-N 0 0 326.444 2.423 10 10 EECERN Cc1ccc(O)c(CNS(=O)(=O)c2ccnn2CC2CCC2)c1 ZINC000918003667 768828419 /nfs/dbraw/zinc/82/84/19/768828419.db2.gz CVBAQGBGENCULN-UHFFFAOYSA-N 0 0 335.429 2.176 10 10 EECERN O=S(=O)(NCc1c(O)cccc1F)c1ccnn1CC1CCC1 ZINC000921451867 773382731 /nfs/dbraw/zinc/38/27/31/773382731.db2.gz XKUCUVHKNJWZTF-UHFFFAOYSA-N 0 0 339.392 2.006 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1CCCc1nccs1 ZINC000819168700 785443106 /nfs/dbraw/zinc/44/31/06/785443106.db2.gz BNWIREZARQCEDE-UHFFFAOYSA-N 0 0 331.397 2.246 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C1CCC(=O)CC1 ZINC000819696022 785643872 /nfs/dbraw/zinc/64/38/72/785643872.db2.gz IIENOYWJOSELGU-UHFFFAOYSA-N 0 0 333.384 2.043 10 10 EECERN CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000708234645 786772623 /nfs/dbraw/zinc/77/26/23/786772623.db2.gz HKPPYOPBROXOGS-UHFFFAOYSA-N 0 0 341.260 2.116 10 10 EECERN COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)O1 ZINC000822082246 787025497 /nfs/dbraw/zinc/02/54/97/787025497.db2.gz KERGSNPQNBNVEX-XOKHGSTOSA-N 0 0 348.443 2.431 10 10 EECERN Cc1ccncc1S(=O)(=O)NCCCSc1nccs1 ZINC000830499422 787153174 /nfs/dbraw/zinc/15/31/74/787153174.db2.gz XJCJPNPXCHQJFY-UHFFFAOYSA-N 0 0 329.472 2.307 10 10 EECERN CC[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000822659753 787317716 /nfs/dbraw/zinc/31/77/16/787317716.db2.gz FRIQVJMLJKWBRT-HLLBOEOZSA-N 0 0 329.444 2.051 10 10 EECERN CCOC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCCN3C)on1 ZINC000822868397 787446182 /nfs/dbraw/zinc/44/61/82/787446182.db2.gz ZZWPUBPGRVNQNI-UHFFFAOYSA-N 0 0 343.383 2.164 10 10 EECERN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912003179 787889461 /nfs/dbraw/zinc/88/94/61/787889461.db2.gz DCXCKPAZVPMHAP-KXUCPTDWSA-N 0 0 348.424 2.392 10 10 EECERN C[C@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000805863332 788157014 /nfs/dbraw/zinc/15/70/14/788157014.db2.gz AHTGKSAMUTWGSK-KSSFIOAISA-N 0 0 331.460 2.493 10 10 EECERN COC(=O)[C@@](C)(CCF)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912518467 788220835 /nfs/dbraw/zinc/22/08/35/788220835.db2.gz AFSMJNQRPVAKMA-OAHLLOKOSA-N 0 0 341.360 2.334 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1F ZINC000824847563 788336117 /nfs/dbraw/zinc/33/61/17/788336117.db2.gz GVZDWFZNPVXGAK-BTTYYORXSA-N 0 0 333.407 2.464 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H](C)[C@H]3CCCO3)CC2)c(OC)c1 ZINC000913482810 788932632 /nfs/dbraw/zinc/93/26/32/788932632.db2.gz XFSNRGYHCHYSOT-WMLDXEAASA-N 0 0 348.443 2.168 10 10 EECERN CCC[C@H](C)[C@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000844933979 789470447 /nfs/dbraw/zinc/47/04/47/789470447.db2.gz KKMVSHKVVJLHLK-WFASDCNBSA-N 0 0 325.428 2.488 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000172555787 791722429 /nfs/dbraw/zinc/72/24/29/791722429.db2.gz OMJYMLQPIAXUJY-CVEARBPZSA-N 0 0 346.475 2.376 10 10 EECERN O=C(NCCCSc1nccs1)NCC1(CCO)CCC1 ZINC000154483786 798324188 /nfs/dbraw/zinc/32/41/88/798324188.db2.gz TXABVVWMWNFAFG-UHFFFAOYSA-N 0 0 329.491 2.477 10 10 EECERN O=C(CCn1cnc2sccc2c1=O)NCc1c(O)cccc1F ZINC001178412812 799466699 /nfs/dbraw/zinc/46/66/99/799466699.db2.gz GJWJKRNKWNLYOP-UHFFFAOYSA-N 0 0 347.371 2.009 10 10 EECERN Cc1cc(C)c2c(N)c(C(=O)OCCO[C@H]3CCOC3)sc2n1 ZINC000922265918 800141239 /nfs/dbraw/zinc/14/12/39/800141239.db2.gz BKXQBMUQKOFOAO-NSHDSACASA-N 0 0 336.413 2.458 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2ccc(CCO)cc2)cc1 ZINC001180193723 800321771 /nfs/dbraw/zinc/32/17/71/800321771.db2.gz UBDYMNLMDBODCA-UHFFFAOYSA-N 0 0 326.356 2.314 10 10 EECERN COc1ccc(CNC(=O)NCc2ccc(CO)c(F)c2)c(O)c1 ZINC000792955661 810087265 /nfs/dbraw/zinc/08/72/65/810087265.db2.gz YOMCNRTYIUARLQ-UHFFFAOYSA-N 0 0 334.347 2.032 10 10 EECERN Cc1ncc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000793849650 810560996 /nfs/dbraw/zinc/56/09/96/810560996.db2.gz WBTRZSLNWJLOFA-NSHDSACASA-N 0 0 346.456 2.011 10 10 EECERN COc1ccc(CNC(=O)c2cc3c(cc2OC)OCO3)c(O)c1 ZINC000794378162 810804162 /nfs/dbraw/zinc/80/41/62/810804162.db2.gz PVYSCCIYLCBSHU-UHFFFAOYSA-N 0 0 331.324 2.068 10 10 EECERN COc1ccc(N2CCN(C(=O)Cc3ccc(F)cn3)CC2)cc1 ZINC000806284819 811814720 /nfs/dbraw/zinc/81/47/20/811814720.db2.gz QGTLVNVGDOXGAR-UHFFFAOYSA-N 0 0 329.375 2.121 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000808511486 812681472 /nfs/dbraw/zinc/68/14/72/812681472.db2.gz AZULAYMIPMUBNL-UHFFFAOYSA-N 0 0 340.257 2.206 10 10 EECERN COc1cccc(CNC(=O)c2cc3cc[nH]c(=O)c3s2)c1O ZINC001445971113 1091925853 /nfs/dbraw/zinc/92/58/53/1091925853.db2.gz SFQAFPSKRJWDJG-UHFFFAOYSA-N 0 0 330.365 2.234 10 10 EECERN CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)[nH]n1 ZINC001452102001 1098209315 /nfs/dbraw/zinc/20/93/15/1098209315.db2.gz QQBWEAMNZZBZOG-FNORWQNLSA-N 0 0 345.355 2.428 10 10 EECERN Cc1cc(C(=O)N2CCN(C)C[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC001454221081 1106909087 /nfs/dbraw/zinc/90/90/87/1106909087.db2.gz MPZMUKCOVCHKDA-GOSISDBHSA-N 0 0 341.455 2.151 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001455357037 1108474641 /nfs/dbraw/zinc/47/46/41/1108474641.db2.gz MWHKZJNCSICZTH-CABCVRRESA-N 0 0 341.363 2.289 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001455357038 1108475247 /nfs/dbraw/zinc/47/52/47/1108475247.db2.gz MWHKZJNCSICZTH-GJZGRUSLSA-N 0 0 341.363 2.289 10 10 EECERN Cc1cn2c(ncc(C(=O)NCc3cccc(Cl)c3O)c2=O)s1 ZINC001457037819 1109424977 /nfs/dbraw/zinc/42/49/77/1109424977.db2.gz SEDNSADZNSSMDU-UHFFFAOYSA-N 0 0 349.799 2.353 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ccnc2[nH]c(CC3CC3)nc21 ZINC001465953061 1110426856 /nfs/dbraw/zinc/42/68/56/1110426856.db2.gz BRDHXMNVTBSOEV-UHFFFAOYSA-N 0 0 338.367 2.252 10 10 EECERN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1ccc(O)cc1O ZINC001469160830 1110486048 /nfs/dbraw/zinc/48/60/48/1110486048.db2.gz UPLUQHYXNAZUNH-UHFFFAOYSA-N 0 0 344.396 2.193 10 10 EECERN COC(=O)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)CC1CCCC1 ZINC001472285667 1110550509 /nfs/dbraw/zinc/55/05/09/1110550509.db2.gz DOMPOHXCACOLIJ-AWEZNQCLSA-N 0 0 335.400 2.126 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(N2CCNC2=O)cc1 ZINC001540531241 1124085140 /nfs/dbraw/zinc/08/51/40/1124085140.db2.gz DIXVKQOYDRHZRH-KRXBUXKQSA-N 0 0 339.351 2.279 10 10 EECERN CS(=O)(=O)Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1F ZINC001545524312 1124194272 /nfs/dbraw/zinc/19/42/72/1124194272.db2.gz LIHXKPNHYBHVPS-UHFFFAOYSA-N 0 0 329.374 2.390 10 10 EECERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1ccc(O)c(O)c1 ZINC001545639572 1124200348 /nfs/dbraw/zinc/20/03/48/1124200348.db2.gz UPCFPMWUSZPVQT-UHFFFAOYSA-N 0 0 334.303 2.394 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(O)=C(C(=O)OCC)C(C)C ZINC001568737585 1124752386 /nfs/dbraw/zinc/75/23/86/1124752386.db2.gz DWUXDWKDTNNDRP-AWEZNQCLSA-N 0 0 328.405 2.329 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CCO[C@@H](C4CC4)C3)ccc21 ZINC000369965881 530065600 /nfs/dbraw/zinc/06/56/00/530065600.db2.gz SYSCFEBDNMLOOH-GOSISDBHSA-N 0 0 329.444 2.389 10 10 EECERN CCC1(CC)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[S@@]1=O ZINC000183849504 781935988 /nfs/dbraw/zinc/93/59/88/781935988.db2.gz HULJISYJUXIWDR-DRGXBFSJSA-N 0 0 337.441 2.261 10 10 EECERN COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c(O)c1 ZINC000005100519 210389642 /nfs/dbraw/zinc/38/96/42/210389642.db2.gz DVTAEQVTEWKDRK-HNNXBMFYSA-N 0 0 345.424 2.304 10 10 EECERN C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000055510907 132195129 /nfs/dbraw/zinc/19/51/29/132195129.db2.gz RBXPZQLMDYXCEE-HOCLYGCPSA-N 0 0 349.450 2.324 10 10 EECERN COC1=C(OC)C(=O)C2=C(O)C(=O)C(c3ccc(O)c(O)c3)OC2=C1 ZINC000014727248 286262996 /nfs/dbraw/zinc/26/29/96/286262996.db2.gz WYKWHSPRHPZRCR-UHFFFAOYSA-N 0 0 346.291 2.300 10 10 biogenic,in-vitro EECERN COC(=O)c1cncnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000521013042 468283969 /nfs/dbraw/zinc/28/39/69/468283969.db2.gz LECDECNJTOKZCS-UHFFFAOYSA-N 0 0 335.367 2.433 10 10 EECERN Cc1noc([C@H](C)N2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000121242918 463103270 /nfs/dbraw/zinc/10/32/70/463103270.db2.gz KHZFXZYVTMTXRQ-AWEZNQCLSA-N 0 0 329.448 2.323 10 10 EECERN CN(Cc1ccccc1O)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000136943943 463267808 /nfs/dbraw/zinc/26/78/08/463267808.db2.gz WHLDTXZZBIIBAP-HNNXBMFYSA-N 0 0 348.468 2.442 10 10 EECERN Cc1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)c(O)c1O ZINC000188780710 464368015 /nfs/dbraw/zinc/36/80/15/464368015.db2.gz WBPKKHXJPGREKA-NSHDSACASA-N 0 0 330.388 2.338 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCS[C@H]3COCC[C@H]32)c1O ZINC000246937245 464636085 /nfs/dbraw/zinc/63/60/85/464636085.db2.gz NLZJBDMJDKGCKY-CABCVRRESA-N 0 0 325.405 2.440 10 10 EECERN COc1nnc(NC(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000282692911 464912101 /nfs/dbraw/zinc/91/21/01/464912101.db2.gz LIBWLMJUTHSQAJ-UHFFFAOYSA-N 0 0 333.417 2.251 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1O ZINC000177129672 464939483 /nfs/dbraw/zinc/93/94/83/464939483.db2.gz HOOZBWQBHAEWIX-NWDGAFQWSA-N 0 0 340.851 2.135 10 10 EECERN CCN(CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(OC)c(OC)c1 ZINC000367279868 466236239 /nfs/dbraw/zinc/23/62/39/466236239.db2.gz BIOILBWAOLOWFV-MRXNPFEDSA-N 0 0 348.443 2.168 10 10 EECERN Cc1cc(C(=O)N2CC(F)(F)C[C@H]2CO)c(C)n1-c1ccccn1 ZINC000372557408 466468770 /nfs/dbraw/zinc/46/87/70/466468770.db2.gz MMCYGVRHBFFGBP-ZDUSSCGKSA-N 0 0 335.354 2.331 10 10 EECERN COc1ccc(N(CC(=O)NCC(C)C)CC(=O)NCC(C)C)cc1 ZINC000047549763 533983694 /nfs/dbraw/zinc/98/36/94/533983694.db2.gz USALMVGXSPKOSC-UHFFFAOYSA-N 0 0 349.475 2.046 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2)c1 ZINC000729535203 576663377 /nfs/dbraw/zinc/66/33/77/576663377.db2.gz MTPXSYUBIXCJTN-STQMWFEESA-N 0 0 342.395 2.397 10 10 EECERN CCc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000775376894 577436236 /nfs/dbraw/zinc/43/62/36/577436236.db2.gz AHXNBGOEIYEDLV-CYBMUJFWSA-N 0 0 331.372 2.159 10 10 EECERN C[C@@H](NC(=O)N1CCC(OCCCO)CC1)c1ccc(N(C)C)cc1 ZINC000776243473 577455505 /nfs/dbraw/zinc/45/55/05/577455505.db2.gz BWOZJYDPDAINQM-OAHLLOKOSA-N 0 0 349.475 2.387 10 10 EECERN CC(C)(C)NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751931460 577762674 /nfs/dbraw/zinc/76/26/74/577762674.db2.gz NXZAEWSAYFUSAA-UHFFFAOYSA-N 0 0 347.440 2.388 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3ccc(OC)cn3)CC2)cc1 ZINC000752825491 577776805 /nfs/dbraw/zinc/77/68/05/577776805.db2.gz CHSHHSAAUITOMZ-UHFFFAOYSA-N 0 0 342.399 2.453 10 10 EECERN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(C)nc2)C1 ZINC000754375134 577805305 /nfs/dbraw/zinc/80/53/05/577805305.db2.gz HCGCAGZRZNNWFG-LPADLIQXSA-N 0 0 335.407 2.497 10 10 EECERN C[C@@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)c(F)cc1[O-] ZINC000757654253 577861860 /nfs/dbraw/zinc/86/18/60/577861860.db2.gz DGZQDTSRBLMOFF-SSDOTTSWSA-N 0 0 329.173 2.273 10 10 EECERN C[C@H](C(=O)NCc1cc(Br)ccc1O)c1cnn(C)c1 ZINC000804734342 675610344 /nfs/dbraw/zinc/61/03/44/675610344.db2.gz ILABIVUQPACBLV-VIFPVBQESA-N 0 0 338.205 2.308 10 10 EECERN CC(=O)N[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000152527839 683338578 /nfs/dbraw/zinc/33/85/78/683338578.db2.gz VVBFIGUPNNJQHX-SFHVURJKSA-N 0 0 325.412 2.195 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(CC(F)F)CC1 ZINC000895986021 684796382 /nfs/dbraw/zinc/79/63/82/684796382.db2.gz MAAJWPQRXCUJEO-UHFFFAOYSA-N 0 0 342.367 2.335 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H](O)CC(F)(F)C1 ZINC000897527734 690951097 /nfs/dbraw/zinc/95/10/97/690951097.db2.gz STCSKXTZIBKNSD-QMMMGPOBSA-N 0 0 329.324 2.155 10 10 EECERN CC(C)OC[C@H](CO)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897571612 691627115 /nfs/dbraw/zinc/62/71/15/691627115.db2.gz UWOVVVVTEAATMM-NSHDSACASA-N 0 0 339.413 2.170 10 10 EECERN COc1cccc(-n2cc(C(=O)N[C@H](C)c3ccccc3O)nn2)c1 ZINC001648889655 1176752260 /nfs/dbraw/zinc/75/22/60/1176752260.db2.gz GRKBMQNMSLIKLS-GFCCVEGCSA-N 0 0 338.367 2.473 10 10 EECERN Cc1cnc(CNC[C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001268676152 1183602648 /nfs/dbraw/zinc/60/26/48/1183602648.db2.gz MSEJEYONNBSYCA-SNVBAGLBSA-N 0 0 344.375 2.054 10 10 EECERN COc1c(O)c(CN2CCO[C@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000872257750 1198115243 /nfs/dbraw/zinc/11/52/43/1198115243.db2.gz VWCXJNFASXGOSJ-NSHDSACASA-N 0 0 332.303 2.165 10 10 EECERN Cn1cnc2cncc(C(=O)NCCCSc3nccs3)c21 ZINC000865783631 1198373952 /nfs/dbraw/zinc/37/39/52/1198373952.db2.gz SENVMFUHSQYRPB-UHFFFAOYSA-N 0 0 333.442 2.337 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3nc([C@H]4C[C@H]4C)no3)C2)cc1 ZINC000866018641 1198456452 /nfs/dbraw/zinc/45/64/52/1198456452.db2.gz LZPGCNLKBYQJEK-XUJVJEKNSA-N 0 0 342.399 2.210 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000869792533 1200282969 /nfs/dbraw/zinc/28/29/69/1200282969.db2.gz NAXGWZLAOLLKMP-DOMZBBRYSA-N 0 0 339.185 2.428 10 10 EECERN CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000866205322 1201464123 /nfs/dbraw/zinc/46/41/23/1201464123.db2.gz CJFZASAXZORRQW-UONOGXRCSA-N 0 0 346.427 2.457 10 10 EECERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCC(=O)O1 ZINC000866604534 1201558685 /nfs/dbraw/zinc/55/86/85/1201558685.db2.gz XQSPBHPMEWUWQM-GFCCVEGCSA-N 0 0 342.189 2.209 10 10 EECERN CCO[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C1CCOCC1 ZINC000866762944 1201600262 /nfs/dbraw/zinc/60/02/62/1201600262.db2.gz AMKZBFXCUBWSSS-PXAZEXFGSA-N 0 0 337.416 2.410 10 10 EECERN O=S(=O)(c1cccc2c1OCCCO2)N1Cc2cccc(O)c2C1 ZINC000867690158 1201660158 /nfs/dbraw/zinc/66/01/58/1201660158.db2.gz ARQKSRFCYWAOHH-UHFFFAOYSA-N 0 0 347.392 2.258 10 10 EECERN Cc1cc(C(=O)NCC[C@H]2CC(=O)N(C)C2)c(C)n1-c1ccccn1 ZINC000927753789 1206298052 /nfs/dbraw/zinc/29/80/52/1206298052.db2.gz HHQBBECBYWLSMU-HNNXBMFYSA-N 0 0 340.427 2.087 10 10 EECERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(N2CCCC2)cc1 ZINC000192809175 1210596013 /nfs/dbraw/zinc/59/60/13/1210596013.db2.gz ABRNAQSXRQFUAS-UHFFFAOYSA-N 0 0 341.371 2.301 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)COC(=O)CCC(F)F)cc1 ZINC000796015330 1215266415 /nfs/dbraw/zinc/26/64/15/1215266415.db2.gz OKMLKODKFHZBME-UHFFFAOYSA-N 0 0 328.359 2.300 10 10 EECERN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 ZINC000097463913 1216076417 /nfs/dbraw/zinc/07/64/17/1216076417.db2.gz TUIZNIXPQKFWMX-UHFFFAOYSA-N 0 0 340.383 2.405 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1nnc(-c2ccccc2)s1 ZINC001137476438 1248693016 /nfs/dbraw/zinc/69/30/16/1248693016.db2.gz YSTOPIBULBSYRI-UHFFFAOYSA-N 0 0 341.392 2.475 10 10 EECERN C/C=C\[C@H](O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000900866817 1234927735 /nfs/dbraw/zinc/92/77/35/1234927735.db2.gz FKULLJKHZQQZQX-XCIQGZDESA-N 0 0 340.370 2.310 10 10 EECERN COC(=O)C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000902910734 1239057698 /nfs/dbraw/zinc/05/76/98/1239057698.db2.gz NAJXIUUBNKGDEO-UKRRQHHQSA-N 0 0 333.432 2.093 10 10 EECERN CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000826833656 1248087797 /nfs/dbraw/zinc/08/77/97/1248087797.db2.gz GWQHEGJPTGYSJC-UHFFFAOYSA-N 0 0 335.828 2.489 10 10 EECERN CO[C@@H](CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000827473666 1248159476 /nfs/dbraw/zinc/15/94/76/1248159476.db2.gz LAEPXBCBJZIPHS-WBMJQRKESA-N 0 0 326.462 2.158 10 10 EECERN C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)c(F)cc1[O-] ZINC000850546323 1277262520 /nfs/dbraw/zinc/26/25/20/1277262520.db2.gz HYGCKTUNLCXULV-SFYZADRCSA-N 0 0 331.185 2.223 10 10 EECERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](C3CCC3)C1)cc2=O ZINC000851709618 1277720427 /nfs/dbraw/zinc/72/04/27/1277720427.db2.gz UQIGEWDIDHDJPA-GFCCVEGCSA-N 0 0 330.388 2.145 10 10 EECERN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nccn1C ZINC000852138809 1292008801 /nfs/dbraw/zinc/00/88/01/1292008801.db2.gz UCGAVQNGEFIURN-CQSZACIVSA-N 0 0 325.416 2.357 10 10 EECERN C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(N(C)C)cc1 ZINC000852261951 1292069900 /nfs/dbraw/zinc/06/99/00/1292069900.db2.gz WVJFCKBFNPSIHZ-CYBMUJFWSA-N 0 0 342.443 2.393 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CS[C@H](C)C3)C2)cc1 ZINC000852381402 1292102619 /nfs/dbraw/zinc/10/26/19/1292102619.db2.gz RDELJNBWEKUEKU-RDBSUJKOSA-N 0 0 335.473 2.467 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C)[C@@H](OC)C3)C2)cc1 ZINC000852451973 1292117736 /nfs/dbraw/zinc/11/77/36/1292117736.db2.gz RXIDBDCHGMNREK-MPGHIAIKSA-N 0 0 347.459 2.340 10 10 EECERN COC[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852454987 1292118578 /nfs/dbraw/zinc/11/85/78/1292118578.db2.gz RQYGKXRVQONTNQ-GOEBONIOSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(C)CCCO)C2)cc1 ZINC000853953886 1292551103 /nfs/dbraw/zinc/55/11/03/1292551103.db2.gz UTGBBPAHKNSLAZ-OAHLLOKOSA-N 0 0 349.475 2.372 10 10 EECERN CC[C@@H]1[C@@H](CO)CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296858 1292707560 /nfs/dbraw/zinc/70/75/60/1292707560.db2.gz HDAQQBLRBNODSV-RVKKMQEKSA-N 0 0 347.459 2.076 10 10 EECERN CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H](O)C(C)C ZINC000854297249 1292709232 /nfs/dbraw/zinc/70/92/32/1292709232.db2.gz LFUSZSHTJPDBHQ-JLSDUUJJSA-N 0 0 349.475 2.369 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@]3(C)CCO[C@H]3C)C2)cc1 ZINC000854298355 1292710350 /nfs/dbraw/zinc/71/03/50/1292710350.db2.gz AZKIDRDJUCCGKB-SUNYJGFJSA-N 0 0 333.432 2.141 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](CCO)C3)C2)cc1 ZINC000854299021 1292710384 /nfs/dbraw/zinc/71/03/84/1292710384.db2.gz DWHJLHDTOLATKQ-HOTGVXAUSA-N 0 0 347.459 2.078 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cnc2n1CCC2 ZINC000854442529 1292785360 /nfs/dbraw/zinc/78/53/60/1292785360.db2.gz TXNNUHXOYYHVIG-UHFFFAOYSA-N 0 0 336.189 2.227 10 10 EECERN Cc1nnc(CC(=O)NCc2cc(Br)ccc2O)s1 ZINC000854442503 1292785596 /nfs/dbraw/zinc/78/55/96/1292785596.db2.gz SLQOCFPMGYKFJI-UHFFFAOYSA-N 0 0 342.218 2.174 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COCc1nccn1C ZINC000854949004 1292999157 /nfs/dbraw/zinc/99/91/57/1292999157.db2.gz RCTRICBVHHAEHJ-OAHLLOKOSA-N 0 0 344.459 2.059 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(Cl)nc3N)C2)cc1 ZINC000855224410 1293116755 /nfs/dbraw/zinc/11/67/55/1293116755.db2.gz FXKZPMXTCWFPGC-LLVKDONJSA-N 0 0 346.818 2.335 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(CO)c3)C2)cc1 ZINC000855226071 1293118940 /nfs/dbraw/zinc/11/89/40/1293118940.db2.gz PXHKSJQBPRQPDT-INIZCTEOSA-N 0 0 326.396 2.196 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857943266 1293961812 /nfs/dbraw/zinc/96/18/12/1293961812.db2.gz DIKCEXGQYYVZQW-NWDGAFQWSA-N 0 0 329.400 2.238 10 10 EECERN CCN(Cc1cnc(C(=O)OC)cn1)c1ccc(OC)c(OC)c1 ZINC000859175201 1294340095 /nfs/dbraw/zinc/34/00/95/1294340095.db2.gz MZIKKFXHBGIZIL-UHFFFAOYSA-N 0 0 331.372 2.307 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)[C@@H]2CCC[C@@H]21 ZINC000863330788 1296225369 /nfs/dbraw/zinc/22/53/69/1296225369.db2.gz AWROMJZLKLIEEE-YRGRVCCFSA-N 0 0 333.384 2.210 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@H]3CCOC[C@H]3C)CC2)cc1 ZINC001116787554 1305918158 /nfs/dbraw/zinc/91/81/58/1305918158.db2.gz OYBBVRUEPIAZFP-QAPCUYQASA-N 0 0 332.444 2.407 10 10 EECERN Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000839927290 1315260401 /nfs/dbraw/zinc/26/04/01/1315260401.db2.gz WTUZFRRQYCNIBV-KBXCAEBGSA-N 0 0 346.402 2.455 10 10 EECERN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841113370 1315478656 /nfs/dbraw/zinc/47/86/56/1315478656.db2.gz FAILRMRTVLSDRU-CABZTGNLSA-N 0 0 329.322 2.397 10 10 EECERN CCOC(=O)c1ccnc(NCc2cc(O)ccc2O)c1[N+](=O)[O-] ZINC001164047221 1321280834 /nfs/dbraw/zinc/28/08/34/1321280834.db2.gz ZYEJQFMXVVZUOF-UHFFFAOYSA-N 0 0 333.300 2.190 10 10 EECERN CC(C)(C)C1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC001261383617 1322085540 /nfs/dbraw/zinc/08/55/40/1322085540.db2.gz RLQNENDLQQWTSW-UHFFFAOYSA-N 0 0 331.460 2.212 10 10 EECERN CC(C)(C)C(=O)NC1CCC(C(=O)NCc2cccc(O)c2O)CC1 ZINC001263894324 1322549276 /nfs/dbraw/zinc/54/92/76/1322549276.db2.gz AZMHEQBLXRUAHH-UHFFFAOYSA-N 0 0 348.443 2.435 10 10 EECERN CC(C)=C(F)C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284266831 1326480789 /nfs/dbraw/zinc/48/07/89/1326480789.db2.gz SIRMWPJXMRCYKV-JTQLQIEISA-N 0 0 349.366 2.347 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 ZINC001291624090 1328311974 /nfs/dbraw/zinc/31/19/74/1328311974.db2.gz GBQIWTAKKMLHAI-CQSZACIVSA-N 0 0 342.359 2.477 10 10 EECERN COc1ccc(CCNC(=O)Cc2ccc(O)c(O)c2)c(OC)c1 ZINC001292272622 1328377457 /nfs/dbraw/zinc/37/74/57/1328377457.db2.gz IFDRCODMJHAIFQ-UHFFFAOYSA-N 0 0 331.368 2.016 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cncc3ncn(C)c32)cc1F ZINC001292283035 1328380405 /nfs/dbraw/zinc/38/04/05/1328380405.db2.gz SALJWYFABCLVPA-UHFFFAOYSA-N 0 0 327.363 2.103 10 10 EECERN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)C2CC2)cc1 ZINC001327745994 1334341643 /nfs/dbraw/zinc/34/16/43/1334341643.db2.gz GHWQXRDNNAVEHN-ZWKOTPCHSA-N 0 0 341.455 2.158 10 10 EECERN CCOC[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001329775225 1334712157 /nfs/dbraw/zinc/71/21/57/1334712157.db2.gz REXPNQQMECJDBO-HNNXBMFYSA-N 0 0 349.475 2.032 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC001331882224 1335665300 /nfs/dbraw/zinc/66/53/00/1335665300.db2.gz XNJLOPJJGIXMRS-INIZCTEOSA-N 0 0 348.443 2.062 10 10 EECERN Cc1nn(C)c(Br)c1C(=O)N1Cc2cccc(O)c2C1 ZINC001332202612 1335763803 /nfs/dbraw/zinc/76/38/03/1335763803.db2.gz ONTMMTYSWUPTLL-UHFFFAOYSA-N 0 0 336.189 2.353 10 10 EECERN O=C(NCc1c(O)cccc1F)Nc1ccnn1C[C@@H]1CCOC1 ZINC001333153312 1335971947 /nfs/dbraw/zinc/97/19/47/1335971947.db2.gz PLUDKCPIYVNGRF-NSHDSACASA-N 0 0 334.351 2.086 10 10 EECERN COCC[C@H](CO)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000847174497 1337890531 /nfs/dbraw/zinc/89/05/31/1337890531.db2.gz UKKZVAUINDHFHH-QGZVFWFLSA-N 0 0 330.428 2.150 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccn1CC ZINC001352303288 1337922355 /nfs/dbraw/zinc/92/23/55/1337922355.db2.gz HJDLHGDXSUNMBS-UHFFFAOYSA-N 0 0 330.384 2.419 10 10 EECERN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC1(O)CCC1 ZINC001617940913 1352346310 /nfs/dbraw/zinc/34/63/10/1352346310.db2.gz UEVDDLAZCUQTOL-UHFFFAOYSA-N 0 0 328.416 2.413 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nc(O)cc(=O)[nH]2)cc1 ZINC001557704147 1342453226 /nfs/dbraw/zinc/45/32/26/1342453226.db2.gz TVYJKUKWZPNMGB-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc2c(cc1Cl)NC(=O)C2 ZINC001558534176 1342480561 /nfs/dbraw/zinc/48/05/61/1342480561.db2.gz OUFFVDKPLQCGHM-UHFFFAOYSA-N 0 0 332.743 2.176 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CCC2(C1)Oc1ccccc1O2 ZINC001558992542 1342494395 /nfs/dbraw/zinc/49/43/95/1342494395.db2.gz DJRSORYMQVLYBJ-UHFFFAOYSA-N 0 0 331.299 2.251 10 10 EECERN COC(=O)C1=C(C)O[C@@H](COc2ccc(N(C)C)c(C(=O)OC)c2)C1 ZINC001559457044 1342504315 /nfs/dbraw/zinc/50/43/15/1342504315.db2.gz YCMYBTBAEJMESC-CYBMUJFWSA-N 0 0 349.383 2.154 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1cnccn1 ZINC001676760619 1357195081 /nfs/dbraw/zinc/19/50/81/1357195081.db2.gz MUYXKLLVIWDIEQ-UHFFFAOYSA-N 0 0 325.416 2.418 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1CSC(c2ccccc2O)=N1 ZINC001596913410 1349913682 /nfs/dbraw/zinc/91/36/82/1349913682.db2.gz XIIKLYRFDQRJLO-CYBMUJFWSA-N 0 0 346.383 2.415 10 10 EECERN CCCC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(C)=O ZINC001678517803 1357523342 /nfs/dbraw/zinc/52/33/42/1357523342.db2.gz FFWWTSLEFVNQOG-CQSZACIVSA-N 0 0 333.392 2.274 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCNC(=O)C(C)(C)C ZINC001623573411 1352400222 /nfs/dbraw/zinc/40/02/22/1352400222.db2.gz ADBIVNAPCOHWSI-UHFFFAOYSA-N 0 0 327.421 2.047 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC001628251389 1352527395 /nfs/dbraw/zinc/52/73/95/1352527395.db2.gz KBKTURQALMALAZ-MRVPVSSYSA-N 0 0 345.380 2.371 10 10 EECERN O=C(C[C@H]1CCC(=O)NC1)N(Cc1ccco1)Cc1ccccc1O ZINC001629943791 1352561292 /nfs/dbraw/zinc/56/12/92/1352561292.db2.gz PKMWEQICZCUDGX-CQSZACIVSA-N 0 0 342.395 2.430 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2ccncc2)c1 ZINC001638347134 1352687686 /nfs/dbraw/zinc/68/76/86/1352687686.db2.gz DIZJLRXQWNGROR-GFCCVEGCSA-N 0 0 338.367 2.040 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccn(-c2ccccc2F)n1 ZINC001652622664 1354097023 /nfs/dbraw/zinc/09/70/23/1354097023.db2.gz DPFPFUBHCZSXRK-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN O=C(Nc1cnc2c(c1)CNC2=O)c1cc2cc(O)c(O)cc2s1 ZINC001653586604 1354127649 /nfs/dbraw/zinc/12/76/49/1354127649.db2.gz PPCWDARRAIFSIT-UHFFFAOYSA-N 0 0 341.348 2.203 10 10 EECERN CCc1nnc([C@@H]2C[C@@H](O)CN2Cc2ccc(N(C)CC)cc2)[nH]1 ZINC001655110143 1354165193 /nfs/dbraw/zinc/16/51/93/1354165193.db2.gz UOPCEEFTKDYNPL-CVEARBPZSA-N 0 0 329.448 2.131 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCc1cn(C)cn1 ZINC001673463715 1356692981 /nfs/dbraw/zinc/69/29/81/1356692981.db2.gz DROXMDRIYUQSLB-UHFFFAOYSA-N 0 0 341.459 2.404 10 10 EECERN O=C(NCc1cnc(Cl)cn1)NCc1cccc(Cl)c1O ZINC001684876871 1358288942 /nfs/dbraw/zinc/28/89/42/1358288942.db2.gz KTAHGXSMTFXBRU-UHFFFAOYSA-N 0 0 327.171 2.488 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H]1CCC[C@@H]1O ZINC000840479021 782655103 /nfs/dbraw/zinc/65/51/03/782655103.db2.gz LGNGAMKCCHBIEJ-LESCRADOSA-N 0 0 333.476 2.452 10 10 EECERN Cc1ccc(O)c(CNS(=O)(=O)Cc2noc3c2CCCC3)c1 ZINC000918003802 768828891 /nfs/dbraw/zinc/82/88/91/768828891.db2.gz DUEQCFHXLGYBQW-UHFFFAOYSA-N 0 0 336.413 2.187 10 10 EECERN C[C@H](O)C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154616838 768839203 /nfs/dbraw/zinc/83/92/03/768839203.db2.gz SRBNJSSHHCOARE-NSHDSACASA-N 0 0 329.491 2.428 10 10 EECERN Cc1ccc(S(=O)(=O)NCc2c(O)cccc2F)cc1N(C)C ZINC000921452645 773382765 /nfs/dbraw/zinc/38/27/65/773382765.db2.gz VDZPGYLVIAULMW-UHFFFAOYSA-N 0 0 338.404 2.384 10 10 EECERN CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)C1=CC(=O)CS1 ZINC000846661791 790386383 /nfs/dbraw/zinc/38/63/83/790386383.db2.gz NJOQURNIXVLUMR-LLVKDONJSA-N 0 0 327.402 2.074 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC12CCCC2 ZINC000846725067 790467406 /nfs/dbraw/zinc/46/74/06/790467406.db2.gz PJLKFCFJIRQYAQ-UHFFFAOYSA-N 0 0 341.455 2.448 10 10 EECERN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000906738160 784114600 /nfs/dbraw/zinc/11/46/00/784114600.db2.gz IEHTYTCDNIZIEI-ZOCIIQOWSA-N 0 0 346.471 2.183 10 10 EECERN C[C@@H](C(=O)NCc1cc(Br)ccc1O)c1ccnn1C ZINC000817604484 784868762 /nfs/dbraw/zinc/86/87/62/784868762.db2.gz XWYPAAQMCFQFIP-SECBINFHSA-N 0 0 338.205 2.308 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000908045581 785046138 /nfs/dbraw/zinc/04/61/38/785046138.db2.gz QTRWPIMPCKBQGO-NVXWUHKLSA-N 0 0 344.415 2.122 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3n[nH]c(C)c3C)C2)cc1 ZINC000819584615 785595670 /nfs/dbraw/zinc/59/56/70/785595670.db2.gz NLAQUEPQANMQHU-AWEZNQCLSA-N 0 0 328.416 2.291 10 10 EECERN O=C1[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CCN1C1CCC1 ZINC000708660626 786837209 /nfs/dbraw/zinc/83/72/09/786837209.db2.gz BRLJVYLWBHQKQP-ZDUSSCGKSA-N 0 0 339.233 2.398 10 10 EECERN CO[C@H]1COCC[C@H]1CC(=O)NCCCSc1nccs1 ZINC000823297647 787686389 /nfs/dbraw/zinc/68/63/89/787686389.db2.gz FPRAFZIYDBBZLV-RYUDHWBXSA-N 0 0 330.475 2.183 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(C)[nH]nc3Cl)C2)cc1 ZINC000912292288 788090239 /nfs/dbraw/zinc/09/02/39/788090239.db2.gz KQJCAZQRTYSEOR-NSHDSACASA-N 0 0 334.807 2.389 10 10 EECERN Oc1cc(Br)ccc1CN1CCN(c2cccnn2)CC1 ZINC000824657579 788258938 /nfs/dbraw/zinc/25/89/38/788258938.db2.gz QXJZWOXJBALLDS-UHFFFAOYSA-N 0 0 349.232 2.267 10 10 EECERN CCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCOC1 ZINC000824685473 788273043 /nfs/dbraw/zinc/27/30/43/788273043.db2.gz FDQSLADDYQDQMW-RDJZCZTQSA-N 0 0 347.459 2.342 10 10 EECERN CC[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)OC ZINC000844028824 788792240 /nfs/dbraw/zinc/79/22/40/788792240.db2.gz YBVUTKDXFUURBU-CQSZACIVSA-N 0 0 329.400 2.418 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@]1(CO)CCc2ccccc21 ZINC000846345462 790140853 /nfs/dbraw/zinc/14/08/53/790140853.db2.gz XHDBAFKBLPDJND-LZVBJTEYSA-N 0 0 339.391 2.104 10 10 EECERN C[C@H](NS(=O)(=O)CC1(F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000913972275 794677439 /nfs/dbraw/zinc/67/74/39/794677439.db2.gz OBKYKGLVEQTYHP-ZDUSSCGKSA-N 0 0 342.436 2.006 10 10 EECERN CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2cc(O)ccc2O)CC1(C)C ZINC001176756134 798570946 /nfs/dbraw/zinc/57/09/46/798570946.db2.gz XZPSQTTYSDTZDT-SFHVURJKSA-N 0 0 335.400 2.472 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H](O)c1ccc(Cl)cc1F ZINC001178910972 799696356 /nfs/dbraw/zinc/69/63/56/799696356.db2.gz JFIQDFGKGXBJRO-AWEZNQCLSA-N 0 0 325.723 2.240 10 10 EECERN COCCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCOC1 ZINC000787124359 807024118 /nfs/dbraw/zinc/02/41/18/807024118.db2.gz DRTYHMZRQSZRND-KRWDZBQOSA-N 0 0 347.459 2.016 10 10 EECERN CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1nnc2ccccn21 ZINC000790778681 808915239 /nfs/dbraw/zinc/91/52/39/808915239.db2.gz KEPWNSCHSQGJCA-CQSZACIVSA-N 0 0 326.356 2.268 10 10 EECERN CCOC(=O)/C(=C\c1cnnn1Cc1ccccc1)c1nccn1C ZINC000792884885 810053909 /nfs/dbraw/zinc/05/39/09/810053909.db2.gz MCIAPMXEQNZPKM-WJDWOHSUSA-N 0 0 337.383 2.164 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001129819313 811002358 /nfs/dbraw/zinc/00/23/58/811002358.db2.gz IALKLCLJQCCPGL-IMJJTQAJSA-N 0 0 331.460 2.010 10 10 EECERN C[C@@H](OCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nccn1C ZINC000805199962 811183413 /nfs/dbraw/zinc/18/34/13/811183413.db2.gz KCJNEWNQCLJZMY-UONOGXRCSA-N 0 0 330.432 2.441 10 10 EECERN C[C@@H](NC(=O)CO[C@H](C)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000805199963 811183571 /nfs/dbraw/zinc/18/35/71/811183571.db2.gz KCJNEWNQCLJZMY-ZIAGYGMSSA-N 0 0 330.432 2.441 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000807327049 812179650 /nfs/dbraw/zinc/17/96/50/812179650.db2.gz WTEYGSFSCVPWRO-HNNXBMFYSA-N 0 0 348.443 2.064 10 10 EECERN COC(=O)[C@H]1CN(C(=O)/C=C\c2cccnc2)c2ccc(F)cc2O1 ZINC001437269302 1089417431 /nfs/dbraw/zinc/41/74/31/1089417431.db2.gz OPXFPOWXVJZALS-HQQUCIOCSA-N 0 0 342.326 2.201 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(O)c1 ZINC001441786130 1095793352 /nfs/dbraw/zinc/79/33/52/1095793352.db2.gz IOPRKUZKMROUDN-UHFFFAOYSA-N 0 0 348.349 2.437 10 10 EECERN COc1cc(N(C)C(=O)c2cccc(O)c2O)cc(OC)c1OC ZINC001444034882 1098554570 /nfs/dbraw/zinc/55/45/70/1098554570.db2.gz WMBFAORJAJIVKG-UHFFFAOYSA-N 0 0 333.340 2.400 10 10 EECERN CN(C[C@H](O)c1cccnc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001456948185 1109380229 /nfs/dbraw/zinc/38/02/29/1109380229.db2.gz KEUKDDSQWKEDSZ-AWEZNQCLSA-N 0 0 327.344 2.050 10 10 EECERN CSC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCOCC1 ZINC001465438487 1110417596 /nfs/dbraw/zinc/41/75/96/1110417596.db2.gz LVNMKYCGRSLFDN-UHFFFAOYSA-N 0 0 336.417 2.491 10 10 EECERN CCN1C[C@@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1=O ZINC001468283737 1110471876 /nfs/dbraw/zinc/47/18/76/1110471876.db2.gz WFVDHOOIGHDVEP-KRWDZBQOSA-N 0 0 339.439 2.374 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(c2ccc(F)cc2F)CC1 ZINC001471138152 1110518256 /nfs/dbraw/zinc/51/82/56/1110518256.db2.gz JJDPEQUOGZPLRN-UHFFFAOYSA-N 0 0 348.349 2.267 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H](C)C1CC1 ZINC001502803250 1113805315 /nfs/dbraw/zinc/80/53/15/1113805315.db2.gz JFJFAMYYAAYBQE-QWRGUYRKSA-N 0 0 345.403 2.130 10 10 EECERN C/C=C(\C)C(=O)N(C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001506274514 1114512460 /nfs/dbraw/zinc/51/24/60/1114512460.db2.gz YRXLKQLRPUTIMP-ODHIDBCHSA-N 0 0 343.387 2.098 10 10 EECERN CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001515353773 1118969008 /nfs/dbraw/zinc/96/90/08/1118969008.db2.gz ACDJFSKLGAWJEW-CQSZACIVSA-N 0 0 347.438 2.492 10 10 EECERN C[C@@H](NC(=O)c1cn(-c2cccnc2)nn1)c1ccc(N(C)C)cc1 ZINC001523639085 1119821801 /nfs/dbraw/zinc/82/18/01/1119821801.db2.gz JQIQJFYOFBCKTG-CYBMUJFWSA-N 0 0 336.399 2.219 10 10 EECERN COc1cnc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)nc1 ZINC001525113355 1120269410 /nfs/dbraw/zinc/26/94/10/1120269410.db2.gz CLEVUESRHWTEBL-UHFFFAOYSA-N 0 0 326.400 2.358 10 10 EECERN COc1cccc(CCNC(=O)Cc2ccc(O)c(O)c2)c1OC ZINC001543207324 1124124320 /nfs/dbraw/zinc/12/43/20/1124124320.db2.gz DCNSIIIEVNMXMM-UHFFFAOYSA-N 0 0 331.368 2.016 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC001544562868 1124157930 /nfs/dbraw/zinc/15/79/30/1124157930.db2.gz QNZFEIRFEOBZLC-UHFFFAOYSA-N 0 0 328.246 2.398 10 10 EECERN COc1ccc(N2CCN(C(=O)Cc3ccncc3C)CC2)cc1F ZINC001545606226 1124198743 /nfs/dbraw/zinc/19/87/43/1124198743.db2.gz HRZMXAYBXIEBPE-UHFFFAOYSA-N 0 0 343.402 2.429 10 10 EECERN O=CN1CCN(c2ccc(/C=C3\C(=O)Nc4ccccc43)cc2)CC1 ZINC000012832813 462871546 /nfs/dbraw/zinc/87/15/46/462871546.db2.gz ZNFJBJDODKHWED-AQTBWJFISA-N 0 0 333.391 2.458 10 10 in-vivo EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](c4ncc[nH]4)C3)cc2N1 ZINC000091479472 462883173 /nfs/dbraw/zinc/88/31/73/462883173.db2.gz SPECMUFZOQWSLP-SNVBAGLBSA-N 0 0 343.343 2.033 10 10 EECERN CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000134547974 463054826 /nfs/dbraw/zinc/05/48/26/463054826.db2.gz UIOPNVOWVNTEFB-UHFFFAOYSA-N 0 0 346.452 2.476 10 10 EECERN CCN(C)c1ccc(CNC(=O)CCNC(=O)c2ccco2)cc1F ZINC000069769352 463321444 /nfs/dbraw/zinc/32/14/44/463321444.db2.gz BGDIUUJACPFSQO-UHFFFAOYSA-N 0 0 347.390 2.311 10 10 EECERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccnnc2)cc1 ZINC000151360569 463518431 /nfs/dbraw/zinc/51/84/31/463518431.db2.gz ZEZDXSNITFWRIN-GOSISDBHSA-N 0 0 340.427 2.364 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NCC2CCCCC2)cc1F ZINC000283456439 463889897 /nfs/dbraw/zinc/88/98/97/463889897.db2.gz DIDLJRSBORAPSY-UHFFFAOYSA-N 0 0 335.423 2.204 10 10 EECERN C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Br)cc(F)c1[O-] ZINC000185974044 463915550 /nfs/dbraw/zinc/91/55/50/463915550.db2.gz GZQCSIRMGMRWJK-KOLCDFICSA-N 0 0 347.228 2.275 10 10 EECERN CN(C)c1ccc(CNC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000279621262 464118506 /nfs/dbraw/zinc/11/85/06/464118506.db2.gz JZEXSSFPDTZBNI-IBGZPJMESA-N 0 0 347.459 2.232 10 10 EECERN CCCOc1ccc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC000180115309 464245809 /nfs/dbraw/zinc/24/58/09/464245809.db2.gz HJFZDELWMYHWJA-MRXNPFEDSA-N 0 0 332.404 2.181 10 10 EECERN CC1(C)CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000175642619 464594053 /nfs/dbraw/zinc/59/40/53/464594053.db2.gz LQDZJAOWUHMEGJ-UHFFFAOYSA-N 0 0 340.445 2.462 10 10 EECERN NC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000273150932 464706130 /nfs/dbraw/zinc/70/61/30/464706130.db2.gz HSFCUCUKTJPTRT-INIZCTEOSA-N 0 0 341.411 2.214 10 10 EECERN C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273410964 464715245 /nfs/dbraw/zinc/71/52/45/464715245.db2.gz PNQHZPUHHVFBJD-STQMWFEESA-N 0 0 343.387 2.410 10 10 EECERN CCn1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000302707268 466169284 /nfs/dbraw/zinc/16/92/84/466169284.db2.gz JUGCUNLTUHIRNC-UHFFFAOYSA-N 0 0 330.344 2.384 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112663495 533720240 /nfs/dbraw/zinc/72/02/40/533720240.db2.gz FBVMUQSOWSZIBA-MRXNPFEDSA-N 0 0 335.411 2.430 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[C@H](CO)C1 ZINC000298828252 526678803 /nfs/dbraw/zinc/67/88/03/526678803.db2.gz HHXKAFKWVCNIKJ-DLBZAZTESA-N 0 0 329.444 2.413 10 10 EECERN CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000773623675 577355270 /nfs/dbraw/zinc/35/52/70/577355270.db2.gz LIMRKVIIXLFRNE-KGLIPLIRSA-N 0 0 332.448 2.076 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2cncn2)cc1 ZINC000773742054 577362284 /nfs/dbraw/zinc/36/22/84/577362284.db2.gz QDHYGKNFBYDVGX-GFCCVEGCSA-N 0 0 338.367 2.040 10 10 EECERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773744443 577362477 /nfs/dbraw/zinc/36/24/77/577362477.db2.gz RSTFXLCTKIIDEI-QWHCGFSZSA-N 0 0 345.395 2.105 10 10 EECERN CCOC[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000764805725 577488794 /nfs/dbraw/zinc/48/87/94/577488794.db2.gz NHKQYYKYMUEDRT-VIFPVBQESA-N 0 0 331.210 2.379 10 10 EECERN C[C@H](NC(=O)[C@@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000766483211 577520376 /nfs/dbraw/zinc/52/03/76/577520376.db2.gz DUUZNRAGCGGKCD-RLFYNMQTSA-N 0 0 332.444 2.373 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000768388432 577554857 /nfs/dbraw/zinc/55/48/57/577554857.db2.gz YUGCZVRMAYLNHY-SNVBAGLBSA-N 0 0 348.371 2.071 10 10 EECERN O=C(COC(=O)c1cccc(O)c1O)N[C@H]1CCCc2ccccc21 ZINC000758581942 577627732 /nfs/dbraw/zinc/62/77/32/577627732.db2.gz QITGJSKXQIAYLO-HNNXBMFYSA-N 0 0 341.363 2.448 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)OCc1nc(-c2ccoc2)no1 ZINC000759594082 577646169 /nfs/dbraw/zinc/64/61/69/577646169.db2.gz FSGLTXDUWRAECM-DUXPYHPUSA-N 0 0 328.280 2.497 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000762180443 577696708 /nfs/dbraw/zinc/69/67/08/577696708.db2.gz BNUVRIYQLUPKEB-CFNZNRNTSA-N 0 0 347.371 2.015 10 10 EECERN C[C@@H](NC(=O)/C=C\c1ccncn1)c1ccc(N2CCOCC2)cc1 ZINC000754167482 577801595 /nfs/dbraw/zinc/80/15/95/577801595.db2.gz GBNXERLTQZLCJE-IJVDHGTGSA-N 0 0 338.411 2.204 10 10 EECERN CN(C)c1ccc(CN(C(=O)[C@H](O)C2CCOCC2)C2CC2)cc1 ZINC000746118354 577922558 /nfs/dbraw/zinc/92/25/58/577922558.db2.gz WSNDDUNVKVTZKS-GOSISDBHSA-N 0 0 332.444 2.031 10 10 EECERN CN1CCCc2cc(CNC(=O)COc3ccc(O)cc3)ccc21 ZINC000746181805 577923605 /nfs/dbraw/zinc/92/36/05/577923605.db2.gz DXGIHJPDZVHBDF-UHFFFAOYSA-N 0 0 326.396 2.470 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CCN(C3CC3)C(=O)C2)cc1 ZINC000748616773 577964929 /nfs/dbraw/zinc/96/49/29/577964929.db2.gz FOURHPSYIJVKJL-UHFFFAOYSA-N 0 0 344.459 2.049 10 10 EECERN C[C@H]1CN(c2ccc(CNC(=O)Cc3ccon3)cc2F)C[C@H](C)O1 ZINC000740741085 578106604 /nfs/dbraw/zinc/10/66/04/578106604.db2.gz MFWBWSDLQUPUIB-STQMWFEESA-N 0 0 347.390 2.286 10 10 EECERN Cc1cc(C(=O)NCc2cc(Br)ccc2O)nc(C)n1 ZINC000804740923 675612477 /nfs/dbraw/zinc/61/24/77/675612477.db2.gz PJHKNBGOZCDOIG-UHFFFAOYSA-N 0 0 336.189 2.492 10 10 EECERN CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000160637846 676375927 /nfs/dbraw/zinc/37/59/27/676375927.db2.gz DDKAGLHSICGVLR-UHFFFAOYSA-N 0 0 344.415 2.175 10 10 EECERN NC(=O)C1CCN(c2ccc(CNC(=O)CCC(F)F)cc2)CC1 ZINC000894591352 682979695 /nfs/dbraw/zinc/97/96/95/682979695.db2.gz CFBVXDDQGHGBDO-UHFFFAOYSA-N 0 0 339.386 2.050 10 10 EECERN COC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000914335841 683498637 /nfs/dbraw/zinc/49/86/37/683498637.db2.gz MKHFVZWNHBYMBC-CQSZACIVSA-N 0 0 335.448 2.136 10 10 EECERN COC(=O)c1c(CN(C)Cc2noc(C)n2)c2cc(F)ccc2n1C ZINC000895352778 684534125 /nfs/dbraw/zinc/53/41/25/684534125.db2.gz AUSOUGFMLPHXOK-UHFFFAOYSA-N 0 0 346.362 2.427 10 10 EECERN Cc1cc(Br)cc(CN2CCCn3nncc3C2)c1O ZINC000895755663 684712375 /nfs/dbraw/zinc/71/23/75/684712375.db2.gz KTNFYMXRKWOFDY-UHFFFAOYSA-N 0 0 337.221 2.461 10 10 EECERN COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Cl)cc(OC)c1O ZINC000895861665 684744784 /nfs/dbraw/zinc/74/47/84/684744784.db2.gz GKBKAYARIONXIX-STQMWFEESA-N 0 0 343.807 2.255 10 10 EECERN COc1ccc(CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)c(O)c1 ZINC000897628630 691709816 /nfs/dbraw/zinc/70/98/16/691709816.db2.gz GRYVCXWQPRIMDG-CQSZACIVSA-N 0 0 334.416 2.054 10 10 EECERN C[S@@](=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897639518 691724440 /nfs/dbraw/zinc/72/44/40/691724440.db2.gz AMWGQEVPJQESOE-JOCHJYFZSA-N 0 0 339.438 2.344 10 10 EECERN O=C(N[C@@H]1CCc2cncn2C1)c1cc2cc(O)c(O)cc2s1 ZINC000897729848 691772874 /nfs/dbraw/zinc/77/28/74/691772874.db2.gz GKBPBZQSXWOFNM-SNVBAGLBSA-N 0 0 329.381 2.254 10 10 EECERN C[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)c1ccccc1O ZINC001648891741 1176755797 /nfs/dbraw/zinc/75/57/97/1176755797.db2.gz GKAPPNWFPQQJAU-SWLSCSKDSA-N 0 0 327.384 2.369 10 10 EECERN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000905456086 1189735566 /nfs/dbraw/zinc/73/55/66/1189735566.db2.gz FUYLJEMYBBJELV-MAUKXSAKSA-N 0 0 332.444 2.297 10 10 EECERN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)n1-c1ccon1 ZINC001545668914 1189799640 /nfs/dbraw/zinc/79/96/40/1189799640.db2.gz BFGGCXJBFOCHCG-UHFFFAOYSA-N 0 0 341.367 2.466 10 10 EECERN C/C=C(/C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486679174 1194162068 /nfs/dbraw/zinc/16/20/68/1194162068.db2.gz LZPJPHNNWBLEBS-HYCFDYMXSA-N 0 0 345.403 2.438 10 10 EECERN O=C(NCc1ccc(N2CCCCC2)cc1)C1(N2CCOCC2)CC1 ZINC000865031412 1198055723 /nfs/dbraw/zinc/05/57/23/1198055723.db2.gz NVGKDLMDMABEJR-UHFFFAOYSA-N 0 0 343.471 2.158 10 10 EECERN CC(C)C[C@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCNC1=O ZINC000865051675 1198064238 /nfs/dbraw/zinc/06/42/38/1198064238.db2.gz RUDXDGVACGBQNY-GOSISDBHSA-N 0 0 335.423 2.060 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cccn(C3CC3)c2=O)cc1F ZINC000865051034 1198064495 /nfs/dbraw/zinc/06/44/95/1198064495.db2.gz HNOSNCCOCQHFBV-UHFFFAOYSA-N 0 0 329.375 2.318 10 10 EECERN COC(=O)c1cc(OCC(=O)N2CCCC[C@H]2C)ccc1N(C)C ZINC000865396694 1198195826 /nfs/dbraw/zinc/19/58/26/1198195826.db2.gz ZJOUINRSEJQPLF-CYBMUJFWSA-N 0 0 334.416 2.319 10 10 EECERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H](C)O1 ZINC000865953009 1198435811 /nfs/dbraw/zinc/43/58/11/1198435811.db2.gz ANXDBDDOQJRNDX-SPYBWZPUSA-N 0 0 346.471 2.325 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](O)Cc1ccccc1 ZINC000813514293 1199062735 /nfs/dbraw/zinc/06/27/35/1199062735.db2.gz ZZGCAJIKORWENI-CJNGLKHVSA-N 0 0 329.396 2.139 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CC2(CO1)CCOCC2 ZINC000869443028 1200085613 /nfs/dbraw/zinc/08/56/13/1200085613.db2.gz IVZSLTUMVVMJDN-PMUGQKEBSA-N 0 0 334.368 2.240 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccc(N(C)C)cc1 ZINC000811906254 1200398428 /nfs/dbraw/zinc/39/84/28/1200398428.db2.gz UYFNWLMNPAKTTG-GXTWGEPZSA-N 0 0 327.432 2.393 10 10 EECERN COCCc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)n(C)n1 ZINC000127506531 1200853360 /nfs/dbraw/zinc/85/33/60/1200853360.db2.gz XEONOBRRHHMZLN-UHFFFAOYSA-N 0 0 345.447 2.305 10 10 EECERN Nc1ccc(CC(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)cc1 ZINC000871008728 1201003101 /nfs/dbraw/zinc/00/31/01/1201003101.db2.gz FFNWMRCDITWIQM-SAABIXHNSA-N 0 0 338.407 2.450 10 10 EECERN CSc1nc(C)c(CCC(=O)N2Cc3cccc(O)c3C2)c(=O)[nH]1 ZINC000871198739 1201095976 /nfs/dbraw/zinc/09/59/76/1201095976.db2.gz OEDCTWOIUSDMHG-UHFFFAOYSA-N 0 0 345.424 2.393 10 10 EECERN Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000868300695 1201787099 /nfs/dbraw/zinc/78/70/99/1201787099.db2.gz NAPSUJYUOAVBSL-MRXNPFEDSA-N 0 0 331.416 2.158 10 10 EECERN COc1ccc(N2CCN(Cc3nnc(C)n3C3CC3)CC2)cc1F ZINC000122114178 1201790217 /nfs/dbraw/zinc/79/02/17/1201790217.db2.gz YAARUNNAGMXDRU-UHFFFAOYSA-N 0 0 345.422 2.391 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1O ZINC000868410446 1201807748 /nfs/dbraw/zinc/80/77/48/1201807748.db2.gz MIZINCUBMMVQSY-BHYGNILZSA-N 0 0 347.459 2.396 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](OC)CC[C@@H]3C)C2)cc1 ZINC000868761256 1201873760 /nfs/dbraw/zinc/87/37/60/1201873760.db2.gz AQKVUHOIGBGURQ-RLFYNMQTSA-N 0 0 347.459 2.483 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)OC[C@H]1CCCO1 ZINC001297562506 1205761798 /nfs/dbraw/zinc/76/17/98/1205761798.db2.gz MJFFYXCDSIJISS-QWHCGFSZSA-N 0 0 328.405 2.078 10 10 EECERN CC(C)=CC[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000924483418 1205983140 /nfs/dbraw/zinc/98/31/40/1205983140.db2.gz WHIITKZWXXJKFI-KRWDZBQOSA-N 0 0 343.427 2.300 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC000926621814 1206231974 /nfs/dbraw/zinc/23/19/74/1206231974.db2.gz RISGBJUBUUDUOU-XPCVCDNBSA-N 0 0 332.400 2.352 10 10 EECERN CC(=O)N[C@H](CC(=O)NCc1c(O)cccc1F)c1cccs1 ZINC000928708200 1206413708 /nfs/dbraw/zinc/41/37/08/1206413708.db2.gz DQWHEBDNZHGFAT-CYBMUJFWSA-N 0 0 336.388 2.477 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2ccc(Cn3ccnn3)o2)cc1 ZINC000929531865 1206484251 /nfs/dbraw/zinc/48/42/51/1206484251.db2.gz JQIMMGGCOUGDIN-UHFFFAOYSA-N 0 0 339.399 2.258 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CC(=O)N(CC)C2)cc1F ZINC000189869836 1209338963 /nfs/dbraw/zinc/33/89/63/1209338963.db2.gz LSOIDHSUUKBUKY-UHFFFAOYSA-N 0 0 336.411 2.003 10 10 EECERN CCc1nc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)o1 ZINC000795361504 1212010497 /nfs/dbraw/zinc/01/04/97/1212010497.db2.gz VTFKEQWGOZBNRO-UHFFFAOYSA-N 0 0 347.390 2.451 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC(C3CCOCC3)C2)cc1F ZINC000800702334 1234450467 /nfs/dbraw/zinc/45/04/67/1234450467.db2.gz CRQIIMIQSWHWPO-UHFFFAOYSA-N 0 0 335.423 2.460 10 10 EECERN O=C(C[C@@H]1CCC2(CCOCC2)CO1)NCc1ccc(O)c(O)c1 ZINC000901131621 1235261916 /nfs/dbraw/zinc/26/19/16/1235261916.db2.gz MPWKARGFVAXXQA-AWEZNQCLSA-N 0 0 335.400 2.080 10 10 EECERN CCN(CC)c1ccc(CNC(=O)CCc2cn(C)nn2)cc1F ZINC000826942673 1248172616 /nfs/dbraw/zinc/17/26/16/1248172616.db2.gz RWRCHUJLWAHBIZ-UHFFFAOYSA-N 0 0 333.411 2.049 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cnc3n2CCOC3)cc1F ZINC000826942540 1248172700 /nfs/dbraw/zinc/17/27/00/1248172700.db2.gz PPOOVUKSKSIFMR-UHFFFAOYSA-N 0 0 346.406 2.329 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3)C2)cc1 ZINC000850536559 1277260850 /nfs/dbraw/zinc/26/08/50/1277260850.db2.gz LAXOXQZJLXDIGP-OAHLLOKOSA-N 0 0 339.395 2.029 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cccn3C)C2)cc1 ZINC000852160559 1292019956 /nfs/dbraw/zinc/01/99/56/1292019956.db2.gz FKZMAEPXJXLWCK-AWEZNQCLSA-N 0 0 328.416 2.112 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CSC3(C)C)C2)cc1 ZINC000852313235 1292087756 /nfs/dbraw/zinc/08/77/56/1292087756.db2.gz FOHIFEQBDDIKLX-DOMZBBRYSA-N 0 0 335.473 2.467 10 10 EECERN CCC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852454515 1292118492 /nfs/dbraw/zinc/11/84/92/1292118492.db2.gz PGZFGGABWPJUHX-MAUKXSAKSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(F)cn3)C2)cc1 ZINC000853866724 1292498205 /nfs/dbraw/zinc/49/82/05/1292498205.db2.gz KAYDLRQEUFYXGY-OAHLLOKOSA-N 0 0 344.390 2.307 10 10 EECERN Cc1cc(CC(=O)NCCNC(=O)C2CC2)c(C)n1-c1ccccc1 ZINC000854254865 1292690718 /nfs/dbraw/zinc/69/07/18/1292690718.db2.gz YIABJRWUOKTQMM-UHFFFAOYSA-N 0 0 339.439 2.279 10 10 EECERN CCC[C@](C)(CO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299431 1292710986 /nfs/dbraw/zinc/71/09/86/1292710986.db2.gz ISARZCAGALWUBE-RDTXWAMCSA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)OC[C@H]3C)C2)cc1 ZINC000854300224 1292711404 /nfs/dbraw/zinc/71/14/04/1292711404.db2.gz XEAGHBGBNBEMRL-ILXRZTDVSA-N 0 0 333.432 2.093 10 10 EECERN CC[C@@H]1COCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301655 1292712087 /nfs/dbraw/zinc/71/20/87/1292712087.db2.gz RRZRZBWPLKWKJX-LSDHHAIUSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)C(=O)OC(C)(C)C)C2)cc1 ZINC000855225174 1293117360 /nfs/dbraw/zinc/11/73/60/1293117360.db2.gz OWDGPRFRRFMIFN-UONOGXRCSA-N 0 0 348.443 2.368 10 10 EECERN CCOc1nc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)co1 ZINC000855225889 1293118496 /nfs/dbraw/zinc/11/84/96/1293118496.db2.gz LSCOAZCOZVZJJQ-GFCCVEGCSA-N 0 0 331.372 2.091 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)COCc3cccnc3)C2)cc1 ZINC000855225863 1293118581 /nfs/dbraw/zinc/11/85/81/1293118581.db2.gz NIKSOCQLODKBNQ-INIZCTEOSA-N 0 0 341.411 2.002 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccnc(N(C)C)c3)C2)cc1 ZINC000855230337 1293121119 /nfs/dbraw/zinc/12/11/19/1293121119.db2.gz GMBFFBLLKDLETK-HNNXBMFYSA-N 0 0 340.427 2.165 10 10 EECERN NC(=O)CC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1 ZINC000856304604 1293480066 /nfs/dbraw/zinc/48/00/66/1293480066.db2.gz VOZCXYLRVQGRAZ-FNORWQNLSA-N 0 0 332.400 2.053 10 10 EECERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858251475 1294061317 /nfs/dbraw/zinc/06/13/17/1294061317.db2.gz PSOHSNCLIQUHCP-LBPRGKRZSA-N 0 0 330.432 2.481 10 10 EECERN Cc1cc(CNC(=O)N[C@H]2CCNC2=O)c(C)n1-c1cccc(C)c1 ZINC000858596645 1294162752 /nfs/dbraw/zinc/16/27/52/1294162752.db2.gz IBKSNURSOIPEEL-KRWDZBQOSA-N 0 0 340.427 2.090 10 10 EECERN COc1ccc(N2CCCN(C(=O)COCC(F)F)CC2)cc1 ZINC000858666957 1294186210 /nfs/dbraw/zinc/18/62/10/1294186210.db2.gz JZPFGXKXTDFJIK-UHFFFAOYSA-N 0 0 328.359 2.016 10 10 EECERN COC(=O)C1=CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000858739438 1294208328 /nfs/dbraw/zinc/20/83/28/1294208328.db2.gz NQNAGYDVKYKDAB-OAHLLOKOSA-N 0 0 331.416 2.122 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000858846125 1294242625 /nfs/dbraw/zinc/24/26/25/1294242625.db2.gz WKMQVWKELUERGN-KAFIBJPMSA-N 0 0 332.356 2.131 10 10 EECERN Cn1nc(C(=O)NCc2ccc3cccnc3c2O)c2c1CCCC2 ZINC000862025329 1295660547 /nfs/dbraw/zinc/66/05/47/1295660547.db2.gz SNZQJYBQRXBMDQ-UHFFFAOYSA-N 0 0 336.395 2.483 10 10 EECERN CC(=O)N[C@H](C(=O)NCc1ccc2cccnc2c1O)C(C)(C)C ZINC000862026384 1295661037 /nfs/dbraw/zinc/66/10/37/1295661037.db2.gz MRVHXQPSAVVYQL-MRXNPFEDSA-N 0 0 329.400 2.107 10 10 EECERN CCO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1COC)C1CC1 ZINC000863410722 1296269683 /nfs/dbraw/zinc/26/96/83/1296269683.db2.gz JCFGZDRLXPKBIM-HNNXBMFYSA-N 0 0 329.418 2.095 10 10 EECERN CO[C@@H]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC001116749635 1305915238 /nfs/dbraw/zinc/91/52/38/1305915238.db2.gz NGNZOLDQOULARI-YXJHDRRASA-N 0 0 347.459 2.451 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC001116787552 1305918541 /nfs/dbraw/zinc/91/85/41/1305918541.db2.gz OYBBVRUEPIAZFP-CRAIPNDOSA-N 0 0 332.444 2.407 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@](C)(F)C1 ZINC001117854720 1306193668 /nfs/dbraw/zinc/19/36/68/1306193668.db2.gz XLPOYIWEBMVDIZ-GOSISDBHSA-N 0 0 336.407 2.481 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccc(=O)n1C ZINC001124622107 1310926787 /nfs/dbraw/zinc/92/67/87/1310926787.db2.gz CIWRTRISYUIMSJ-UHFFFAOYSA-N 0 0 325.412 2.258 10 10 EECERN COc1cc([C@H]2NC3(CC3)C(=O)N2c2ccccc2)cc(O)c1O ZINC000840830961 1315418940 /nfs/dbraw/zinc/41/89/40/1315418940.db2.gz YMZNEAYEYOQPPC-INIZCTEOSA-N 0 0 326.352 2.274 10 10 EECERN COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC001158485181 1319263110 /nfs/dbraw/zinc/26/31/10/1319263110.db2.gz WVVMEYGGZLKJRQ-ZDUSSCGKSA-N 0 0 329.352 2.002 10 10 EECERN O=C(NC[C@H](O)c1ccccc1Cl)c1c(F)ccc(O)c1O ZINC001160827316 1320282096 /nfs/dbraw/zinc/28/20/96/1320282096.db2.gz CVOIQYVPESYKRR-LBPRGKRZSA-N 0 0 325.723 2.354 10 10 EECERN Cc1ccc(C(=O)N2Cc3ccccc3NC(=O)[C@H]2C)c(O)c1O ZINC001166312742 1321698057 /nfs/dbraw/zinc/69/80/57/1321698057.db2.gz NXFCOMZYDZCZDO-LLVKDONJSA-N 0 0 326.352 2.389 10 10 EECERN COc1cc(C(=O)N[C@H](C)C[C@H](C)NC(=O)C=C(C)C)cc(OC)n1 ZINC001288507759 1327816678 /nfs/dbraw/zinc/81/66/78/1327816678.db2.gz NCUOBFDCDVVATB-QWHCGFSZSA-N 0 0 349.431 2.078 10 10 EECERN Cc1nnc(N2CCC(CO)CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001290792430 1328275938 /nfs/dbraw/zinc/27/59/38/1328275938.db2.gz HWBRZBGVDZFINE-UHFFFAOYSA-N 0 0 347.438 2.049 10 10 EECERN CC(=O)N(C)c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001300959422 1331285421 /nfs/dbraw/zinc/28/54/21/1331285421.db2.gz RAJIKASCFUOHFJ-POHAHGRESA-N 0 0 340.379 2.410 10 10 EECERN Cc1ccc(C(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c(O)c1O ZINC001301412175 1331299048 /nfs/dbraw/zinc/29/90/48/1331299048.db2.gz NWJRATJLBVAEHX-GFCCVEGCSA-N 0 0 341.285 2.287 10 10 EECERN CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)c1ccc(C)c(O)c1O ZINC001303528429 1331357986 /nfs/dbraw/zinc/35/79/86/1331357986.db2.gz BGVCDJIPPCOWEN-AWEZNQCLSA-N 0 0 344.367 2.178 10 10 EECERN O=C(CSc1nc2ccccc2[nH]1)NCc1c(O)cccc1O ZINC001304053955 1331375428 /nfs/dbraw/zinc/37/54/28/1331375428.db2.gz XLRKWCJMHFSJQS-UHFFFAOYSA-N 0 0 329.381 2.383 10 10 EECERN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1cccc(Cl)c1O ZINC001305069730 1331408393 /nfs/dbraw/zinc/40/83/93/1331408393.db2.gz MLPQTKAUHAKXTA-UHFFFAOYSA-N 0 0 347.758 2.124 10 10 EECERN CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)cc1 ZINC000901952288 1331528590 /nfs/dbraw/zinc/52/85/90/1331528590.db2.gz RBKQUONMDUWGEU-FPZJGVQBSA-N 0 0 330.428 2.189 10 10 EECERN C[NH+]1CCN(c2ccc(C[NH2+][C@](C)(CC(=O)[O-])C3CC3)cc2)CC1 ZINC000901949275 1331528806 /nfs/dbraw/zinc/52/88/06/1331528806.db2.gz DGYBCTHMINDCOO-LJQANCHMSA-N 0 0 331.460 2.171 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1F ZINC001322594895 1333290552 /nfs/dbraw/zinc/29/05/52/1333290552.db2.gz JRROLTWHBIKGPA-GOEBONIOSA-N 0 0 347.434 2.203 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001340921398 1337266405 /nfs/dbraw/zinc/26/64/05/1337266405.db2.gz SPCJAYGVARNCPQ-CGTJXYLNSA-N 0 0 341.455 2.208 10 10 EECERN CC1(C)OC(=O)c2c1cccc2C(=O)NCCc1ccc(O)c(O)c1 ZINC001566369713 1342571096 /nfs/dbraw/zinc/57/10/96/1342571096.db2.gz RKFAQQXSEIYCNU-UHFFFAOYSA-N 0 0 341.363 2.476 10 10 EECERN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001567015508 1342679187 /nfs/dbraw/zinc/67/91/87/1342679187.db2.gz VWLODMTVMXCNDV-NSHDSACASA-N 0 0 338.404 2.060 10 10 EECERN CCc1nc2c(nccc2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)[nH]1 ZINC001567467889 1342764992 /nfs/dbraw/zinc/76/49/92/1342764992.db2.gz URXZRYPMFDOXEL-JTQLQIEISA-N 0 0 340.383 2.293 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2[nH]cnc2c1F ZINC001567467263 1342765141 /nfs/dbraw/zinc/76/51/41/1342765141.db2.gz FQIMLGADUXGFJS-VIFPVBQESA-N 0 0 329.331 2.474 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001623574384 1352400264 /nfs/dbraw/zinc/40/02/64/1352400264.db2.gz NKDAGUNLKMSUQU-NWDGAFQWSA-N 0 0 326.389 2.083 10 10 EECERN O=C(COc1ccsn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001623641807 1352401590 /nfs/dbraw/zinc/40/15/90/1352401590.db2.gz XVAPXORHQMYRBK-CQSZACIVSA-N 0 0 348.424 2.435 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2[nH]c(CO)nc2c1 ZINC001627026278 1352480761 /nfs/dbraw/zinc/48/07/61/1352480761.db2.gz BDMDKTZKAZNHGG-UHFFFAOYSA-N 0 0 346.383 2.177 10 10 EECERN O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)C1=CC(=O)CS1 ZINC001627177601 1352486198 /nfs/dbraw/zinc/48/61/98/1352486198.db2.gz OBFSMDAGJWYVDR-CQSZACIVSA-N 0 0 342.380 2.287 10 10 EECERN COc1cccc(CNC(=O)Cc2ccc(-n3ccnc3)cc2)c1O ZINC001631539987 1352586237 /nfs/dbraw/zinc/58/62/37/1352586237.db2.gz IMDRINLRGHEGBE-UHFFFAOYSA-N 0 0 337.379 2.445 10 10 EECERN COc1cccc2c1OCC(C(=O)NCc1cccc(O)c1O)=C2 ZINC001633509933 1352611289 /nfs/dbraw/zinc/61/12/89/1352611289.db2.gz ZOTJZAAWLZLKDZ-UHFFFAOYSA-N 0 0 327.336 2.199 10 10 EECERN Cc1cn2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2n1 ZINC001633819969 1352618369 /nfs/dbraw/zinc/61/83/69/1352618369.db2.gz YDMPDNDKXZUXDA-LLVKDONJSA-N 0 0 325.368 2.415 10 10 EECERN CC(C)O[C@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCOC1 ZINC001635492030 1352647089 /nfs/dbraw/zinc/64/70/89/1352647089.db2.gz FCKRVGVXZFMAJV-INIZCTEOSA-N 0 0 334.376 2.163 10 10 EECERN CN1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1=O ZINC001639513359 1352698812 /nfs/dbraw/zinc/69/88/12/1352698812.db2.gz RQNITUIBKQJABU-CYBMUJFWSA-N 0 0 339.351 2.468 10 10 EECERN Cc1c(CC(=O)NCc2cc(C)ccc2O)nnn1-c1ccccc1 ZINC001640796472 1352714366 /nfs/dbraw/zinc/71/43/66/1352714366.db2.gz GOIHUGHDGSHXBO-UHFFFAOYSA-N 0 0 336.395 2.449 10 10 EECERN Nc1cc(Br)ccc1C(=O)NCc1cccc(O)c1O ZINC001651175851 1354042335 /nfs/dbraw/zinc/04/23/35/1354042335.db2.gz QDHLIJKWIFKWGG-UHFFFAOYSA-N 0 0 337.173 2.373 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2ccccc2NC1=O ZINC001686927244 1358512992 /nfs/dbraw/zinc/51/29/92/1358512992.db2.gz BYDCOROPEWTAMN-OAHLLOKOSA-N 0 0 343.358 2.284 10 10 EECERN COC(=O)CN(C(=O)/C=C/c1cccnc1C)c1cccc(C)n1 ZINC001126384247 780939371 /nfs/dbraw/zinc/93/93/71/780939371.db2.gz SGRFWBFSSXLKRN-MDZDMXLPSA-N 0 0 325.368 2.313 10 10 EECERN Cc1cc(CC(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001131833428 783330429 /nfs/dbraw/zinc/33/04/29/783330429.db2.gz YARGMQVEKUEZJS-WMZOPIPTSA-N 0 0 338.407 2.268 10 10 EECERN CCc1ncnc(CC)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000816028961 783624250 /nfs/dbraw/zinc/62/42/50/783624250.db2.gz RRGFVCAWLMHRAR-NSHDSACASA-N 0 0 329.400 2.374 10 10 EECERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000906419145 783909097 /nfs/dbraw/zinc/90/90/97/783909097.db2.gz HREWDSCBHIABDH-KJWYOANISA-N 0 0 332.444 2.371 10 10 EECERN COC(=O)c1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000906454820 783925701 /nfs/dbraw/zinc/92/57/01/783925701.db2.gz RRUNLCGCRQRXCW-UHFFFAOYSA-N 0 0 337.376 2.065 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN2c3ccccc3CC2=O)cc1 ZINC000816822356 784289191 /nfs/dbraw/zinc/28/91/91/784289191.db2.gz IJIFKZNRVAWMHG-UHFFFAOYSA-N 0 0 337.423 2.300 10 10 EECERN O=C(CC1(O)CCOCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000906992137 784306205 /nfs/dbraw/zinc/30/62/05/784306205.db2.gz OKIHMJVYJQMZBV-UHFFFAOYSA-N 0 0 345.395 2.446 10 10 EECERN O=C(NCc1ccccc1O)c1coc(Sc2ncccn2)n1 ZINC000816912343 784356138 /nfs/dbraw/zinc/35/61/38/784356138.db2.gz TXBLESHURARNTH-UHFFFAOYSA-N 0 0 328.353 2.251 10 10 EECERN COC(=O)c1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000907492363 784674712 /nfs/dbraw/zinc/67/47/12/784674712.db2.gz JILPHVULFTYXQQ-SNVBAGLBSA-N 0 0 333.413 2.487 10 10 EECERN CN(C)c1ccc(CN2CC3(C2)CN(C)C(=O)O3)c(C(F)(F)F)c1 ZINC000817416056 784767166 /nfs/dbraw/zinc/76/71/66/784767166.db2.gz SKILHDISZKYZJE-UHFFFAOYSA-N 0 0 343.349 2.408 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3C[C@@H](O)CC[C@@H]3C)CC2)cc1 ZINC000817775015 784958566 /nfs/dbraw/zinc/95/85/66/784958566.db2.gz NMHFHXFNXXMWAE-YOEHRIQHSA-N 0 0 347.459 2.219 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccoc1CC(N)=O ZINC001136025345 785016974 /nfs/dbraw/zinc/01/69/74/785016974.db2.gz GWCJXTCCSITNHZ-UHFFFAOYSA-N 0 0 341.411 2.180 10 10 EECERN CCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001136025205 785017173 /nfs/dbraw/zinc/01/71/73/785017173.db2.gz AJJVNISVGSIPFK-IAGOWNOFSA-N 0 0 330.428 2.444 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=S)NC[C@H]3CCCO3)C2)cc1 ZINC000819020789 785385374 /nfs/dbraw/zinc/38/53/74/785385374.db2.gz MBMPJULWHOXPQO-WMLDXEAASA-N 0 0 349.500 2.165 10 10 EECERN CN(CCCNC(=O)c1ccc(N=NC(N)=O)cc1)CC(F)(F)F ZINC001136233274 785587481 /nfs/dbraw/zinc/58/74/81/785587481.db2.gz NCEAKPDEGCMYAJ-UHFFFAOYSA-N 0 0 345.325 2.463 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)c1cccnc1 ZINC000819696648 785644624 /nfs/dbraw/zinc/64/46/24/785644624.db2.gz YVDKWGVNHUIPDO-CQSZACIVSA-N 0 0 342.395 2.483 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccnc(C)n3)C2)cc1 ZINC000822602037 787282439 /nfs/dbraw/zinc/28/24/39/787282439.db2.gz GWFVXBZOHRBWCU-ZDUSSCGKSA-N 0 0 327.388 2.194 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N(C)[C@H]3C[C@@H](OC)C3)C2)cc1 ZINC000824685450 788273857 /nfs/dbraw/zinc/27/38/57/788273857.db2.gz DPEWLHHRBUIETP-QILLFSRXSA-N 0 0 347.459 2.340 10 10 EECERN COc1ccc(N2CCN(Cc3cnn4c3CCC4)CC2)cc1F ZINC000824919923 788357708 /nfs/dbraw/zinc/35/77/08/788357708.db2.gz AZIUPMHLLIBUHO-UHFFFAOYSA-N 0 0 330.407 2.299 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCCc4n[nH]cc43)C2)cc1 ZINC000923182914 789062687 /nfs/dbraw/zinc/06/26/87/789062687.db2.gz IXSHZRJLXYGVTH-ZDUSSCGKSA-N 0 0 341.415 2.159 10 10 EECERN CCO[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000923186024 789081934 /nfs/dbraw/zinc/08/19/34/789081934.db2.gz HNBONLAMWNHCQG-YOEHRIQHSA-N 0 0 333.432 2.094 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCCCN2CCCC2=O)cc1 ZINC000057420737 789607426 /nfs/dbraw/zinc/60/74/26/789607426.db2.gz YXVUKEALRFPNJT-UHFFFAOYSA-N 0 0 346.475 2.345 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000845229484 789681880 /nfs/dbraw/zinc/68/18/80/789681880.db2.gz HACWAUPWXHURFK-JTQLQIEISA-N 0 0 341.157 2.017 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)OCC(=O)C(C)=O)CCCC1 ZINC000845299102 789729583 /nfs/dbraw/zinc/72/95/83/789729583.db2.gz VHCSTNVCRKQXIT-UHFFFAOYSA-N 0 0 343.379 2.230 10 10 EECERN Cc1cc(F)cc(-n2cc(C(=O)NCc3c(O)cccc3F)nn2)c1 ZINC001178412875 799466851 /nfs/dbraw/zinc/46/68/51/799466851.db2.gz IZPYQHFBFBTPQH-UHFFFAOYSA-N 0 0 344.321 2.490 10 10 EECERN Cc1cc(C(=O)N[C@@H](CO)c2ncc[nH]2)c(C)n1-c1ccc(F)cc1 ZINC001179167062 799809857 /nfs/dbraw/zinc/80/98/57/799809857.db2.gz BCDQRQABNDVYDP-INIZCTEOSA-N 0 0 342.374 2.420 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)cc1F ZINC000817543977 800916004 /nfs/dbraw/zinc/91/60/04/800916004.db2.gz GDLMWDPIYUEJMK-CYBMUJFWSA-N 0 0 346.406 2.020 10 10 EECERN COC(=O)c1cncnc1NCc1ccc(N2CCSCC2)cc1 ZINC000804358237 804634067 /nfs/dbraw/zinc/63/40/67/804634067.db2.gz VVYSVIJOWSSXHI-UHFFFAOYSA-N 0 0 344.440 2.429 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CCCOCC2)cc1 ZINC000787113473 806999491 /nfs/dbraw/zinc/99/94/91/806999491.db2.gz VOTSLKKSTGTXCA-MRXNPFEDSA-N 0 0 348.443 2.071 10 10 EECERN CO[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccc(O)cc1 ZINC000787509659 807134165 /nfs/dbraw/zinc/13/41/65/807134165.db2.gz ACQCASXNVUTUFR-GTNSWQLSSA-N 0 0 331.368 2.238 10 10 EECERN CCOC(=O)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCC1 ZINC000790360580 808623882 /nfs/dbraw/zinc/62/38/82/808623882.db2.gz JUULCSFFZFGWNO-SOFGYWHQSA-N 0 0 333.384 2.493 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C/c1ccnn1-c1ccccc1 ZINC000790605771 808830390 /nfs/dbraw/zinc/83/03/90/808830390.db2.gz ZLZZMAIXJVBJSX-NTCAYCPXSA-N 0 0 340.408 2.175 10 10 EECERN Cc1cncn1C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000793849776 810561041 /nfs/dbraw/zinc/56/10/41/810561041.db2.gz XYFGFDRQUITOFR-HYXAFXHYSA-N 0 0 327.384 2.480 10 10 EECERN CC1CCN(c2ccc(CNC(=O)NCc3cnn(C)n3)cc2)CC1 ZINC000805091462 811148397 /nfs/dbraw/zinc/14/83/97/811148397.db2.gz KGQRPVFNFYMEQE-UHFFFAOYSA-N 0 0 342.447 2.051 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(OC)cc2)c1 ZINC001130770491 812016086 /nfs/dbraw/zinc/01/60/86/812016086.db2.gz BIYZHAWZNNCSHN-RUDMXATFSA-N 0 0 325.368 2.126 10 10 EECERN CC(=O)C(=O)COC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000808547767 812716963 /nfs/dbraw/zinc/71/69/63/812716963.db2.gz QZMCEKVIHYFTIE-UHFFFAOYSA-N 0 0 341.150 2.494 10 10 EECERN NC(=O)C1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCCCC1 ZINC001442604675 1096976034 /nfs/dbraw/zinc/97/60/34/1096976034.db2.gz AKNBLJPDMIVYNS-UHFFFAOYSA-N 0 0 334.397 2.231 10 10 EECERN COC(=O)C1(CCCCNC(=O)Cc2ccc(O)c(O)c2)CCC1 ZINC001456824072 1109322588 /nfs/dbraw/zinc/32/25/88/1109322588.db2.gz HSMJLYGDIDGRGW-UHFFFAOYSA-N 0 0 335.400 2.270 10 10 EECERN CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](c2ccccc2)C1 ZINC001463923582 1110383621 /nfs/dbraw/zinc/38/36/21/1110383621.db2.gz YAPOYWTUIJQVFW-MRXNPFEDSA-N 0 0 326.396 2.156 10 10 EECERN COc1ccc(CNC(=O)CCN2CSCCSC2)c(O)c1 ZINC001467471659 1110456992 /nfs/dbraw/zinc/45/69/92/1110456992.db2.gz NRIXPXSZGGFOIU-UHFFFAOYSA-N 0 0 342.486 2.104 10 10 EECERN Cc1cc(C(=O)NCc2nc(C)cc(=O)[nH]2)c(C)n1-c1ccccn1 ZINC001469724530 1110496270 /nfs/dbraw/zinc/49/62/70/1110496270.db2.gz OHNHSBQGHCMQQA-UHFFFAOYSA-N 0 0 337.383 2.223 10 10 EECERN C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1(C)CC1 ZINC001510623188 1117818490 /nfs/dbraw/zinc/81/84/90/1117818490.db2.gz GJQZRYFZLZXBGC-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001521308558 1119237137 /nfs/dbraw/zinc/23/71/37/1119237137.db2.gz NVUKGNQIADNLNQ-XVGQJIODSA-N 0 0 349.427 2.263 10 10 EECERN CCN1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)CC1 ZINC001527165897 1120699583 /nfs/dbraw/zinc/69/95/83/1120699583.db2.gz RZZIXWYOXYJYFE-UHFFFAOYSA-N 0 0 333.461 2.264 10 10 EECERN CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001528993695 1121271273 /nfs/dbraw/zinc/27/12/73/1121271273.db2.gz AIKPEBYPQCZEMF-BXUZGUMPSA-N 0 0 345.403 2.083 10 10 EECERN COCCOc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1OC ZINC001540534649 1124085707 /nfs/dbraw/zinc/08/57/07/1124085707.db2.gz HOCUEWRFKWYCEA-UHFFFAOYSA-N 0 0 347.367 2.313 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC[C@@H](C(=O)OCC)C1 ZINC001568737795 1124752646 /nfs/dbraw/zinc/75/26/46/1124752646.db2.gz NSALMOBVLWNRAX-QWHCGFSZSA-N 0 0 340.416 2.474 10 10 EECERN CCOc1ccc(O)c(CN2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000119846148 462933918 /nfs/dbraw/zinc/93/39/18/462933918.db2.gz YQZJVLGDUDCXJZ-KRWDZBQOSA-N 0 0 326.396 2.203 10 10 EECERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000133691160 462959707 /nfs/dbraw/zinc/95/97/07/462959707.db2.gz OIKMNAWKAYPJKW-CABCVRRESA-N 0 0 333.432 2.284 10 10 EECERN CCN(CCc1nccs1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000121138637 463086310 /nfs/dbraw/zinc/08/63/10/463086310.db2.gz WXPSEZNPFXPREX-UHFFFAOYSA-N 0 0 346.500 2.390 10 10 EECERN COc1ccc(N2CCC(NC(=O)Cn3nc(C)cc3C)CC2)cc1 ZINC000069518394 463265946 /nfs/dbraw/zinc/26/59/46/463265946.db2.gz NJFMDHBKDNOKLZ-UHFFFAOYSA-N 0 0 342.443 2.294 10 10 EECERN COc1ccc2c(c1)[C@]1(C)CN(C3CCCCC3)C(=O)[C@]1(N)N2C ZINC000032106190 463365333 /nfs/dbraw/zinc/36/53/33/463365333.db2.gz FDSAOMXHFZKROP-OALUTQOASA-N 0 0 329.444 2.233 10 10 EECERN CN(C)c1ccc(CNC(=O)Cn2ccc(=O)c3ccccc32)cc1 ZINC000083854287 463565139 /nfs/dbraw/zinc/56/51/39/463565139.db2.gz ITVPPDWNJHEPLO-UHFFFAOYSA-N 0 0 335.407 2.384 10 10 EECERN COC(=O)[C@@H]1C[C@H](OC)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000125736616 463574054 /nfs/dbraw/zinc/57/40/54/463574054.db2.gz AITJNZOHOINEMJ-ROUUACIJSA-N 0 0 332.444 2.439 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCO[C@]3(CCOC3)C2)c1O ZINC000185214742 463779906 /nfs/dbraw/zinc/77/99/06/463779906.db2.gz XCRCPGJAIVTUDI-MRXNPFEDSA-N 0 0 325.792 2.240 10 10 EECERN CCO[C@H]1C[C@]2(NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1(C)C ZINC000277560713 463920005 /nfs/dbraw/zinc/92/00/05/463920005.db2.gz XDRIAZGYNHLJMD-HNAYVOBHSA-N 0 0 345.443 2.378 10 10 EECERN CC(=O)N1CCN(Cc2cc(Br)ccc2O)[C@H](C)C1 ZINC000271155171 464283779 /nfs/dbraw/zinc/28/37/79/464283779.db2.gz BCLKPSSPZXZZFK-SNVBAGLBSA-N 0 0 327.222 2.207 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H](C)OC)CC2)cc1 ZINC000188811761 464375128 /nfs/dbraw/zinc/37/51/28/464375128.db2.gz KQNNWOFMLYWWQP-LSDHHAIUSA-N 0 0 335.448 2.340 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC2CCC3(CC3)CC2)cc1F ZINC000285672603 464653109 /nfs/dbraw/zinc/65/31/09/464653109.db2.gz ISZFTBQVAMFTRQ-UHFFFAOYSA-N 0 0 347.434 2.347 10 10 EECERN Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c(O)c1O ZINC000182598179 464691303 /nfs/dbraw/zinc/69/13/03/464691303.db2.gz NCGPKBJLZCIISQ-NSHDSACASA-N 0 0 347.802 2.463 10 10 EECERN COC(=O)c1ccc(CN2CCOc3cc(N(C)C)ccc32)nc1 ZINC000299723504 465869521 /nfs/dbraw/zinc/86/95/21/465869521.db2.gz TUSVENPHLPHBNY-UHFFFAOYSA-N 0 0 327.384 2.333 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371797890 466004027 /nfs/dbraw/zinc/00/40/27/466004027.db2.gz XGDWRTCUPIPIQO-HNNXBMFYSA-N 0 0 345.468 2.312 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC(O)(c3ccc(F)cc3)C2)cc1OC ZINC000302492866 466146678 /nfs/dbraw/zinc/14/66/78/466146678.db2.gz ZRZVHLDKQWBHTI-UHFFFAOYSA-N 0 0 348.330 2.459 10 10 EECERN COC(=O)C[C@H]1CN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC000365007017 466727282 /nfs/dbraw/zinc/72/72/82/466727282.db2.gz ALFPEBUEFNDCNB-UZYOAWRESA-N 0 0 338.363 2.494 10 10 EECERN CCn1ncc(CNCc2cc(C)cc(Br)c2O)n1 ZINC000527733758 467664324 /nfs/dbraw/zinc/66/43/24/467664324.db2.gz FLHICBHKBSUTCZ-UHFFFAOYSA-N 0 0 325.210 2.364 10 10 EECERN Cc1cn2c(n1)CN(C(=O)NCc1ccc(N(C)C)c(F)c1)CC2 ZINC000371703713 534505976 /nfs/dbraw/zinc/50/59/76/534505976.db2.gz ORMLLPCTDUMRDN-UHFFFAOYSA-N 0 0 331.395 2.122 10 10 EECERN C[C@H](CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[S@](C)=O ZINC000773397971 577339775 /nfs/dbraw/zinc/33/97/75/577339775.db2.gz POTLSNAWILCCPJ-IFMYKAFSSA-N 0 0 325.478 2.270 10 10 EECERN COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000775353622 577435745 /nfs/dbraw/zinc/43/57/45/577435745.db2.gz WVGGLMZETFPFSH-VXGBXAGGSA-N 0 0 337.376 2.257 10 10 EECERN [O-]c1c(Br)cccc1C[N@H+]1CCSC[C@H]1CCO ZINC000770305748 577593697 /nfs/dbraw/zinc/59/36/97/577593697.db2.gz SOMJZMWTOQZAMM-LLVKDONJSA-N 0 0 332.263 2.455 10 10 EECERN COc1cc(Cl)cc(CN(C)CC(C)(C)S(C)(=O)=O)c1O ZINC000761202999 577678988 /nfs/dbraw/zinc/67/89/88/577678988.db2.gz HPTGIDVXZMMXBH-UHFFFAOYSA-N 0 0 335.853 2.309 10 10 EECERN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](Cc2ccccn2)C1=O ZINC000761578198 577686312 /nfs/dbraw/zinc/68/63/12/577686312.db2.gz VOTNZVDUOQMMBB-SUMWQHHRSA-N 0 0 338.411 2.372 10 10 EECERN CC1(C)Cc2ccc(C(=O)NCCc3ccc(O)c(O)c3)c(O)c2O1 ZINC000762264043 577698312 /nfs/dbraw/zinc/69/83/12/577698312.db2.gz OKARITXBVRVMSZ-UHFFFAOYSA-N 0 0 343.379 2.489 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000763629375 577723623 /nfs/dbraw/zinc/72/36/23/577723623.db2.gz WZAGUUZMAKMTIR-KSSFIOAISA-N 0 0 347.459 2.388 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CSCN2C(C)=O)cc1 ZINC000747378561 577943270 /nfs/dbraw/zinc/94/32/70/577943270.db2.gz XFAVYESPNOJLNO-QGZVFWFLSA-N 0 0 349.500 2.413 10 10 EECERN C[C@@H](NC(=O)N[C@H](C)C(C)(C)O)c1ccc(N2CCOCC2)cc1 ZINC000738989046 578033776 /nfs/dbraw/zinc/03/37/76/578033776.db2.gz JODFMGJPRVANDJ-ZIAGYGMSSA-N 0 0 335.448 2.043 10 10 EECERN CN(C)C(=O)C1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000806666165 675636143 /nfs/dbraw/zinc/63/61/43/675636143.db2.gz MDIDOYZIWIUGMY-UHFFFAOYSA-N 0 0 329.444 2.162 10 10 EECERN COc1cccc(CNC(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000924501097 679362566 /nfs/dbraw/zinc/36/25/66/679362566.db2.gz CNKDLRVYZSYXSC-PWSUYJOCSA-N 0 0 348.321 2.310 10 10 EECERN C[C@H](NC(=O)N1CCO[C@@H](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000914400409 683559820 /nfs/dbraw/zinc/55/98/20/683559820.db2.gz KQOHEHKUSCCDII-HOTGVXAUSA-N 0 0 347.459 2.405 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(C)C3=O)cc2)CC1 ZINC000294720863 683601000 /nfs/dbraw/zinc/60/10/00/683601000.db2.gz VCKDERFQULSPHC-SFHVURJKSA-N 0 0 343.471 2.408 10 10 EECERN COc1cc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c(O)cc1C ZINC000160184174 683726971 /nfs/dbraw/zinc/72/69/71/683726971.db2.gz SOMYFUOXGUDIOP-INIZCTEOSA-N 0 0 331.416 2.115 10 10 EECERN COC(=O)C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000896903216 685761801 /nfs/dbraw/zinc/76/18/01/685761801.db2.gz MPUVWDRCKIGDBL-JTQLQIEISA-N 0 0 335.381 2.384 10 10 EECERN Cc1cc(C)n(C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C(=O)[O-])n1 ZINC000904006086 694266699 /nfs/dbraw/zinc/26/66/99/694266699.db2.gz SMSGTZNCYLFJCI-DUMMIQTOSA-N 0 0 342.443 2.322 10 10 EECERN COC[C@@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)OC ZINC000898581025 693382692 /nfs/dbraw/zinc/38/26/92/693382692.db2.gz RUVBRPYYEIOPQO-SNVBAGLBSA-N 0 0 325.386 2.094 10 10 EECERN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841978087 1188213766 /nfs/dbraw/zinc/21/37/66/1188213766.db2.gz UKANWEKXZHVBPC-PELKAZGASA-N 0 0 332.231 2.496 10 10 EECERN CC(C)(C)C[C@H]1CCCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842236278 1188572716 /nfs/dbraw/zinc/57/27/16/1188572716.db2.gz NNUWITIPVHGHDO-MRXNPFEDSA-N 0 0 331.460 2.355 10 10 EECERN CCO[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC000864863373 1197972607 /nfs/dbraw/zinc/97/26/07/1197972607.db2.gz PJHNHLBVRBOGNL-SJLPKXTDSA-N 0 0 332.444 2.345 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCc3cc(Cl)nnc3C2)cc1 ZINC000825603707 1198187291 /nfs/dbraw/zinc/18/72/91/1198187291.db2.gz VUMZKFQQJJGFJF-UHFFFAOYSA-N 0 0 345.834 2.464 10 10 EECERN Cc1cc(=O)[nH]c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000814326765 1199431857 /nfs/dbraw/zinc/43/18/57/1199431857.db2.gz BASQZXDCMCNQDK-UHFFFAOYSA-N 0 0 345.374 2.001 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cccc2c1CC(=O)CC2 ZINC000810628569 1199623553 /nfs/dbraw/zinc/62/35/53/1199623553.db2.gz LLIFNJIRXNRCPA-UHFFFAOYSA-N 0 0 325.364 2.128 10 10 EECERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001137464560 1248641491 /nfs/dbraw/zinc/64/14/91/1248641491.db2.gz GBZWGUBTYMDEJL-UHFFFAOYSA-N 0 0 334.303 2.426 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3nn(C)cc3C)C2)cc1 ZINC000826024064 1200281065 /nfs/dbraw/zinc/28/10/65/1200281065.db2.gz POCCLOCHKXICJN-ZDUSSCGKSA-N 0 0 329.404 2.138 10 10 EECERN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCC1(F)F ZINC000811848748 1200377312 /nfs/dbraw/zinc/37/73/12/1200377312.db2.gz ROWQAXSXGXJZSU-QMMMGPOBSA-N 0 0 327.287 2.407 10 10 EECERN O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200582 1201096773 /nfs/dbraw/zinc/09/67/73/1201096773.db2.gz HBNKQTKVFQFPKR-OAHLLOKOSA-N 0 0 346.452 2.326 10 10 EECERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201501 1201097960 /nfs/dbraw/zinc/09/79/60/1201097960.db2.gz WDOJAESRVLFMSO-SMDDNHRTSA-N 0 0 334.441 2.182 10 10 EECERN C[C@@H](NC(=O)CCc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204572 1201099483 /nfs/dbraw/zinc/09/94/83/1201099483.db2.gz GTXNFZYHSCNXNC-CQSZACIVSA-N 0 0 338.407 2.372 10 10 EECERN COc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)n(C)n1 ZINC000881251554 1201665721 /nfs/dbraw/zinc/66/57/21/1201665721.db2.gz INHLQNPOJGOCNR-UHFFFAOYSA-N 0 0 329.404 2.133 10 10 EECERN CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867834601 1201690752 /nfs/dbraw/zinc/69/07/52/1201690752.db2.gz RMVMEWHVWKZMTA-NSHDSACASA-N 0 0 337.445 2.290 10 10 EECERN COc1ccc(CNC(=O)c2cccn(C(C)(C)C)c2=O)c(O)c1 ZINC000867956005 1201714400 /nfs/dbraw/zinc/71/44/00/1201714400.db2.gz JVLZQJKJWAPLKK-UHFFFAOYSA-N 0 0 330.384 2.248 10 10 EECERN CC(C)C(=O)N1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868028641 1201730081 /nfs/dbraw/zinc/73/00/81/1201730081.db2.gz HQAJLNVPWXAVGC-ZDUSSCGKSA-N 0 0 333.432 2.399 10 10 EECERN COc1ccnc(N2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000129589132 1201850206 /nfs/dbraw/zinc/85/02/06/1201850206.db2.gz XRITUNCXOCIHHW-UHFFFAOYSA-N 0 0 345.422 2.013 10 10 EECERN CON1CCC(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000868889607 1201899528 /nfs/dbraw/zinc/89/95/28/1201899528.db2.gz LHCMIKVMFLZQKY-HNNXBMFYSA-N 0 0 333.476 2.382 10 10 EECERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)O1 ZINC000868898767 1201901313 /nfs/dbraw/zinc/90/13/13/1201901313.db2.gz BRJVGPKYDIFOJC-HBUWYVDXSA-N 0 0 347.459 2.013 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ncc4ccccn43)C2)cc1 ZINC000869229157 1201969841 /nfs/dbraw/zinc/96/98/41/1201969841.db2.gz SEVBDDRQYNTPPV-AWEZNQCLSA-N 0 0 336.395 2.352 10 10 EECERN Cc1cc(C(=O)NCC[C@@H](C)[S@@](C)=O)c(C)n1-c1ccccn1 ZINC000134764087 1202323804 /nfs/dbraw/zinc/32/38/04/1202323804.db2.gz CTPWVGNXNNUKTC-ZLOXQWCVSA-N 0 0 333.457 2.376 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](C2OCCO2)C1 ZINC000927989320 1206323900 /nfs/dbraw/zinc/32/39/00/1206323900.db2.gz HDBWJZAYCHAHRR-SECBINFHSA-N 0 0 335.381 2.148 10 10 EECERN O=C(NCc1c(O)cccc1F)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000928712052 1206413940 /nfs/dbraw/zinc/41/39/40/1206413940.db2.gz NQSZAUQSLZEUQJ-UHFFFAOYSA-N 0 0 331.347 2.025 10 10 EECERN CCOC(=O)c1cc(NC(=O)NCc2c(O)cccc2F)cn1C ZINC000930299175 1206547630 /nfs/dbraw/zinc/54/76/30/1206547630.db2.gz BQKBBSCLUIDUQY-UHFFFAOYSA-N 0 0 335.335 2.368 10 10 EECERN CC1(C)Cc2ccc(C(=O)NCc3ccc(O)c(O)c3)c(O)c2O1 ZINC000778924588 1208404198 /nfs/dbraw/zinc/40/41/98/1208404198.db2.gz ADZWYCHSCQCWNR-UHFFFAOYSA-N 0 0 329.352 2.447 10 10 EECERN Cc1cc(CC(=O)N[C@@H](C)CS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000827687474 1248644399 /nfs/dbraw/zinc/64/43/99/1248644399.db2.gz QKPFUXLBCKAQDS-ZDUSSCGKSA-N 0 0 348.468 2.186 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000801545973 1235815729 /nfs/dbraw/zinc/81/57/29/1235815729.db2.gz GOASDQBGPRCLPE-UHFFFAOYSA-N 0 0 344.415 2.396 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001137443266 1248445268 /nfs/dbraw/zinc/44/52/68/1248445268.db2.gz JARUFQFCWKGASX-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(F)(F)F)ncn1 ZINC000867301642 1285498500 /nfs/dbraw/zinc/49/85/00/1285498500.db2.gz CXERHUMFZNMSTG-MRVPVSSYSA-N 0 0 341.289 2.268 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C)nc3)C2)cc1 ZINC000851962446 1291933447 /nfs/dbraw/zinc/93/34/47/1291933447.db2.gz VYFNVFUZSVBWFG-INIZCTEOSA-N 0 0 340.427 2.477 10 10 EECERN COCCC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852220286 1292047942 /nfs/dbraw/zinc/04/79/42/1292047942.db2.gz LOXDOCGOKPSFRP-HNNXBMFYSA-N 0 0 347.459 2.390 10 10 EECERN COCC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000852310328 1292086717 /nfs/dbraw/zinc/08/67/17/1292086717.db2.gz OMVJUEJZBMWTKM-HNNXBMFYSA-N 0 0 347.459 2.390 10 10 EECERN CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852452297 1292117728 /nfs/dbraw/zinc/11/77/28/1292117728.db2.gz UWYGQDKELUINMP-YJBOKZPZSA-N 0 0 347.459 2.484 10 10 EECERN CN(C)c1ccc(CNC(=O)NCCO[C@H]2CC2(F)F)cc1F ZINC000852529282 1292127726 /nfs/dbraw/zinc/12/77/26/1292127726.db2.gz GJNCRTWRXLHCCP-ZDUSSCGKSA-N 0 0 331.338 2.115 10 10 EECERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)Cc2ccc(N)cc2)C1 ZINC000852901613 1292228704 /nfs/dbraw/zinc/22/87/04/1292228704.db2.gz LUJODIVAGJEWRC-NEPJUHHUSA-N 0 0 344.333 2.011 10 10 EECERN COc1ccc(O)c(CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000853736835 1292442587 /nfs/dbraw/zinc/44/25/87/1292442587.db2.gz PZXATNGRHLNCRK-HIFRSBDPSA-N 0 0 342.342 2.014 10 10 EECERN C[C@@]12COC[C@@H]1CN(C(=O)NCCCSc1nccs1)C2 ZINC000853854526 1292490342 /nfs/dbraw/zinc/49/03/42/1292490342.db2.gz BIYJMULYIGFZQT-SMDDNHRTSA-N 0 0 327.475 2.303 10 10 EECERN CCOCC(C)(C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296615 1292707501 /nfs/dbraw/zinc/70/75/01/1292707501.db2.gz FEMIUWGPAYEMHT-AWEZNQCLSA-N 0 0 335.448 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3occ4c3CCOC4)C2)cc1 ZINC000855226184 1293118760 /nfs/dbraw/zinc/11/87/60/1293118760.db2.gz NXGXLFQWAQPAOB-AWEZNQCLSA-N 0 0 342.395 2.370 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCCn3ccnc3)C2)cc1 ZINC000855229920 1293120859 /nfs/dbraw/zinc/12/08/59/1293120859.db2.gz CWJSRYDOVWJXRZ-HNNXBMFYSA-N 0 0 328.416 2.067 10 10 EECERN COc1ccc(O)c(CNC(=O)c2cc(-c3cccnc3)on2)c1 ZINC000114544062 1293601614 /nfs/dbraw/zinc/60/16/14/1293601614.db2.gz LIYCGCHTNDGNER-UHFFFAOYSA-N 0 0 325.324 2.381 10 10 EECERN Cc1cc(C(=O)NCCc2ccc(N)cc2)c(C)n1-c1ccn(C)n1 ZINC000856997856 1293693265 /nfs/dbraw/zinc/69/32/65/1293693265.db2.gz FRQAOGGGFNXSGD-UHFFFAOYSA-N 0 0 337.427 2.382 10 10 EECERN CCn1ncc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000858543834 1294150473 /nfs/dbraw/zinc/15/04/73/1294150473.db2.gz ONAZVTGLOJRGNF-AWEZNQCLSA-N 0 0 344.463 2.103 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2C[C@@H](OC)C2)cc1 ZINC000859006938 1294291138 /nfs/dbraw/zinc/29/11/38/1294291138.db2.gz PIMGXTROBGVLRF-KDYLLFBJSA-N 0 0 335.448 2.198 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CN(C)C(=O)[C@H]1C ZINC000862116669 1295705532 /nfs/dbraw/zinc/70/55/32/1295705532.db2.gz QCOSVUBLRCBUBZ-CQSZACIVSA-N 0 0 339.395 2.167 10 10 EECERN Cc1cc(CC(=O)NC[C@@H]2COCCN2C)c(C)n1-c1ccccc1 ZINC000862968643 1296049496 /nfs/dbraw/zinc/04/94/96/1296049496.db2.gz ACIAZPWBXCVKQB-LJQANCHMSA-N 0 0 341.455 2.083 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2COCCN2C)cc1 ZINC000862973587 1296052662 /nfs/dbraw/zinc/05/26/62/1296052662.db2.gz QOWBTQYNBAJIRH-SFHVURJKSA-N 0 0 327.428 2.155 10 10 EECERN NC(=O)C[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000863324785 1296220700 /nfs/dbraw/zinc/22/07/00/1296220700.db2.gz KMIJSJGGSPNVAP-CYBMUJFWSA-N 0 0 340.379 2.368 10 10 EECERN CO[C@@H]1CC[C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC001116749632 1305915227 /nfs/dbraw/zinc/91/52/27/1305915227.db2.gz NGNZOLDQOULARI-QGPMSJSTSA-N 0 0 347.459 2.451 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[C@@H]2CCCS2)cc1 ZINC001118998893 1308970754 /nfs/dbraw/zinc/97/07/54/1308970754.db2.gz QOZGUTNBQXTQBC-INIZCTEOSA-N 0 0 349.500 2.113 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccn(CCc2ccncc2)n1 ZINC001142685266 1315703386 /nfs/dbraw/zinc/70/33/86/1315703386.db2.gz QKGYYJKRFWVOBP-UHFFFAOYSA-N 0 0 338.367 2.113 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1[O-] ZINC000843415980 1315910877 /nfs/dbraw/zinc/91/08/77/1315910877.db2.gz NMOPJCGRWMOYAP-LBPRGKRZSA-N 0 0 349.778 2.430 10 10 EECERN COc1c(O)c(CN2CCO[C@@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000843418106 1315911541 /nfs/dbraw/zinc/91/15/41/1315911541.db2.gz QJWODWPCOHKLCZ-HNNXBMFYSA-N 0 0 340.401 2.017 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc(Cl)c2c(c1)OCCO2 ZINC001156880981 1318257429 /nfs/dbraw/zinc/25/74/29/1318257429.db2.gz KNOFIWGIQAKTJA-UHFFFAOYSA-N 0 0 335.743 2.452 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccn(-c2cccc(F)c2)n1 ZINC001162279294 1320803695 /nfs/dbraw/zinc/80/36/95/1320803695.db2.gz ZPGZWOGGHYERRR-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC001261691292 1322156309 /nfs/dbraw/zinc/15/63/09/1322156309.db2.gz KQLMHUMWRUMYSD-INIZCTEOSA-N 0 0 335.423 2.059 10 10 EECERN Cn1ccnc1[C@H](CC(=O)NCc1cccc(O)c1O)C(F)(F)F ZINC001263894779 1322549427 /nfs/dbraw/zinc/54/94/27/1322549427.db2.gz VMZJHFSTMUMIEH-JTQLQIEISA-N 0 0 343.305 2.184 10 10 EECERN COC(=O)[C@H]1CN(C(=O)/C=C\c2cccnc2C)c2ccccc2O1 ZINC001264349805 1322671827 /nfs/dbraw/zinc/67/18/27/1322671827.db2.gz DEIHDIVPKWDARO-DOOKAGJSSA-N 0 0 338.363 2.370 10 10 EECERN C[C@@H](C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001285742041 1327133224 /nfs/dbraw/zinc/13/32/24/1327133224.db2.gz VPBOBQABEPKDOX-WDEREUQCSA-N 0 0 345.403 2.130 10 10 EECERN COc1cc(C(=O)N[C@H](C)CNC(=O)CC(C)=C(C)C)cc(OC)n1 ZINC001295611122 1329825642 /nfs/dbraw/zinc/82/56/42/1329825642.db2.gz HFTGAVYKJMCEFJ-CYBMUJFWSA-N 0 0 349.431 2.080 10 10 EECERN Cc1nc(C(=O)NCc2cc(O)ccc2O)nn1-c1ccc(F)cc1 ZINC001303223252 1331350645 /nfs/dbraw/zinc/35/06/45/1331350645.db2.gz HMPVUMARJWOJKT-UHFFFAOYSA-N 0 0 342.330 2.056 10 10 EECERN CCc1cc(C(=O)NCc2cc(Br)ccc2O)nn1C ZINC001324374621 1333668448 /nfs/dbraw/zinc/66/84/48/1333668448.db2.gz KSSGWVGBMDZOOI-UHFFFAOYSA-N 0 0 338.205 2.381 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)[C@]1(O)CCOC1 ZINC001326012969 1334015062 /nfs/dbraw/zinc/01/50/62/1334015062.db2.gz JIGJRNOFKQEVLH-IBGZPJMESA-N 0 0 349.475 2.038 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC001326499395 1334105412 /nfs/dbraw/zinc/10/54/12/1334105412.db2.gz ZUEDSHFAYJVANF-CVEARBPZSA-N 0 0 342.798 2.172 10 10 EECERN C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1c1ccccc1 ZINC001329476512 1334658677 /nfs/dbraw/zinc/65/86/77/1334658677.db2.gz BMTUTGIAEPVZON-UGSOOPFHSA-N 0 0 336.391 2.454 10 10 EECERN COC(=O)[C@H](NCc1ccc(N2CCCC2)cc1)c1ccnn1C ZINC001329499643 1334663072 /nfs/dbraw/zinc/66/30/72/1334663072.db2.gz YHVLOKNSHJGUDA-QGZVFWFLSA-N 0 0 328.416 2.024 10 10 EECERN NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001331568239 1335038425 /nfs/dbraw/zinc/03/84/25/1335038425.db2.gz LICCVFONSZTWFM-SFHVURJKSA-N 0 0 332.350 2.299 10 10 EECERN Cn1cccc1[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 ZINC001334784230 1336296715 /nfs/dbraw/zinc/29/67/15/1336296715.db2.gz LPGJLDPOPCHUPW-FQEVSTJZSA-N 0 0 341.455 2.435 10 10 EECERN CN1CCCc2cc(CNC(=O)COCc3cc[nH]c(=O)c3)ccc21 ZINC001334954293 1336317374 /nfs/dbraw/zinc/31/73/74/1336317374.db2.gz FJKGOUVEMUYUHG-UHFFFAOYSA-N 0 0 341.411 2.003 10 10 EECERN Nc1nnc(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)o1 ZINC001612365945 1352307620 /nfs/dbraw/zinc/30/76/20/1352307620.db2.gz WMJKZSDPLYECRZ-UHFFFAOYSA-N 0 0 339.311 2.403 10 10 EECERN CCOC(=O)CCc1cc(NCc2c(O)cccc2O)nc(C)n1 ZINC001612966418 1352312887 /nfs/dbraw/zinc/31/28/87/1352312887.db2.gz FQPKFMUTCUIAGI-UHFFFAOYSA-N 0 0 331.372 2.304 10 10 EECERN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(O)c1O ZINC001617951293 1352346741 /nfs/dbraw/zinc/34/67/41/1352346741.db2.gz FWIJGVFJGTVZIH-UHFFFAOYSA-N 0 0 347.323 2.154 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001556157748 1342423139 /nfs/dbraw/zinc/42/31/39/1342423139.db2.gz IXEXWHKGOKFKJR-JTQLQIEISA-N 0 0 348.330 2.435 10 10 EECERN Cc1cc(=O)oc2cc(N(C)C(=O)c3ccnc4c3CC(=O)N4)ccc12 ZINC001556516578 1342429962 /nfs/dbraw/zinc/42/99/62/1342429962.db2.gz VEGHTDXCOUNAAP-UHFFFAOYSA-N 0 0 349.346 2.268 10 10 EECERN CC(=O)NCC[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001556887242 1342437381 /nfs/dbraw/zinc/43/73/81/1342437381.db2.gz NGUJUFCTSMLJAD-ZDUSSCGKSA-N 0 0 345.403 2.227 10 10 EECERN C[C@]1(C(=O)NCc2cc(Cl)ccc2O)Oc2ccccc2NC1=O ZINC001557387591 1342447784 /nfs/dbraw/zinc/44/77/84/1342447784.db2.gz WJMXCUUKXHDSHL-QGZVFWFLSA-N 0 0 346.770 2.452 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cnnn2C)cc1 ZINC001558559049 1342482010 /nfs/dbraw/zinc/48/20/10/1342482010.db2.gz LJALKTUVMMFTDT-UHFFFAOYSA-N 0 0 337.383 2.216 10 10 EECERN Cc1cc(CNC(=O)N2CCNC(=O)C2)c(C)n1-c1cccc(C)c1 ZINC001565193045 1342553273 /nfs/dbraw/zinc/55/32/73/1342553273.db2.gz NEBYFPDFTUGYDD-UHFFFAOYSA-N 0 0 340.427 2.044 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c2nc[nH]c2ccc1F ZINC001567467932 1342765181 /nfs/dbraw/zinc/76/51/81/1342765181.db2.gz VXMROFMJRITJGO-VIFPVBQESA-N 0 0 329.331 2.474 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCOC(C)C ZINC001570514846 1343077988 /nfs/dbraw/zinc/07/79/88/1343077988.db2.gz REUILBGNIIRVSC-UHFFFAOYSA-N 0 0 337.416 2.489 10 10 EECERN Nc1c(Br)cccc1C(=O)NCc1cc(O)ccc1O ZINC001593881206 1349873113 /nfs/dbraw/zinc/87/31/13/1349873113.db2.gz HIDKOJPNOLZLTO-UHFFFAOYSA-N 0 0 337.173 2.373 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cc(NCc2ccccc2)ccn1 ZINC001595596061 1349889726 /nfs/dbraw/zinc/88/97/26/1349889726.db2.gz PJZPYBDFLQKSNZ-UHFFFAOYSA-N 0 0 349.390 2.457 10 10 EECERN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCc1ccc(O)c(O)c1 ZINC001630335835 1352568319 /nfs/dbraw/zinc/56/83/19/1352568319.db2.gz VVZLJBZLIZAUAD-UHFFFAOYSA-N 0 0 348.330 2.437 10 10 EECERN O=C(Cc1nnc(-c2ccccc2)o1)NCCc1ccc(O)c(O)c1 ZINC001630335980 1352568342 /nfs/dbraw/zinc/56/83/42/1352568342.db2.gz ZPCYKUWYPXPFBE-UHFFFAOYSA-N 0 0 339.351 2.049 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(Br)c[nH]c1=O ZINC001631209437 1352579593 /nfs/dbraw/zinc/57/95/93/1352579593.db2.gz WVBLBUAWXJBXTI-UHFFFAOYSA-N 0 0 339.145 2.142 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cnc2cc(F)c(F)cc2c1O ZINC001631438866 1352583617 /nfs/dbraw/zinc/58/36/17/1352583617.db2.gz NFPDUVVVARDMRV-UHFFFAOYSA-N 0 0 346.289 2.148 10 10 EECERN C[C@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccccc1O ZINC001632256094 1352595259 /nfs/dbraw/zinc/59/52/59/1352595259.db2.gz ZAPNQRUJEMZYIE-JTQLQIEISA-N 0 0 334.322 2.278 10 10 EECERN C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1O ZINC001635793873 1352652507 /nfs/dbraw/zinc/65/25/07/1352652507.db2.gz LXPADKCPOSKBLR-LLVKDONJSA-N 0 0 344.323 2.369 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nn(C)c2ccccc12 ZINC001638347530 1352687778 /nfs/dbraw/zinc/68/77/78/1352687778.db2.gz HZVGAVHEJGEACH-NSHDSACASA-N 0 0 325.368 2.346 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ncc(Br)s1 ZINC001647291258 1353220819 /nfs/dbraw/zinc/22/08/19/1353220819.db2.gz VQVQORNXVCWZLF-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN O=C(CCC(=O)c1ccc(Cl)cn1)NCc1c(O)cccc1O ZINC001647269813 1353213268 /nfs/dbraw/zinc/21/32/68/1353213268.db2.gz LUYLFVCOIYJATM-UHFFFAOYSA-N 0 0 334.759 2.426 10 10 EECERN O=C(c1cccc(O)c1O)N1CC2(C1)OC(=O)Nc1ccc(F)cc12 ZINC001647769373 1353401411 /nfs/dbraw/zinc/40/14/11/1353401411.db2.gz OCYVXARAHOKHHL-UHFFFAOYSA-N 0 0 344.298 2.150 10 10 EECERN O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)c1cccc(O)c1O ZINC001650628293 1354024724 /nfs/dbraw/zinc/02/47/24/1354024724.db2.gz DNVVMVBOTIVCMJ-HDJSIYSDSA-N 0 0 341.363 2.350 10 10 EECERN CCn1cnc2c1CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001652524274 1354093838 /nfs/dbraw/zinc/09/38/38/1354093838.db2.gz GMUPKRIYYGEZND-UHFFFAOYSA-N 0 0 326.360 2.264 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001652623721 1354097126 /nfs/dbraw/zinc/09/71/26/1354097126.db2.gz ZZGIRXYJNBRBLT-MRXNPFEDSA-N 0 0 330.315 2.046 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)c1ccnc2c1CC(=O)N2 ZINC001652708551 1354099765 /nfs/dbraw/zinc/09/97/65/1354099765.db2.gz HFUIHCIZYWVXMT-UHFFFAOYSA-N 0 0 333.347 2.365 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCCN(C)C1=O ZINC001687080833 1358558950 /nfs/dbraw/zinc/55/89/50/1358558950.db2.gz JXVFXGCSCFYECE-QGZVFWFLSA-N 0 0 344.459 2.049 10 10 EECERN CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)CC1CC1 ZINC001688405797 1358947728 /nfs/dbraw/zinc/94/77/28/1358947728.db2.gz RCOGWITZGOJZEJ-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN Cc1cn2c(n1)CN(C(=O)NCCCSc1nccs1)CC2 ZINC000782734172 761775248 /nfs/dbraw/zinc/77/52/48/761775248.db2.gz VDAKKIWJGMMPJX-UHFFFAOYSA-N 0 0 337.474 2.356 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC(CO)(c3ccccc3)C2)cc1OC ZINC000840376614 782589409 /nfs/dbraw/zinc/58/94/09/782589409.db2.gz GZXSKUSPTMLCGD-UHFFFAOYSA-N 0 0 344.367 2.362 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000919918766 770434831 /nfs/dbraw/zinc/43/48/31/770434831.db2.gz RSDNYOKZTVWEPE-SCTDSRPQSA-N 0 0 339.439 2.453 10 10 EECERN CN(C)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1F ZINC000069676704 777354434 /nfs/dbraw/zinc/35/44/34/777354434.db2.gz WIPSQFUGCQHVRP-UHFFFAOYSA-N 0 0 340.358 2.058 10 10 EECERN Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c(O)c1O ZINC000924276501 780092215 /nfs/dbraw/zinc/09/22/15/780092215.db2.gz XXAZMUDGSFSKOB-PAKFGRKTSA-N 0 0 335.400 2.109 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1cccn(CC(F)(F)F)c1=O ZINC000906991000 784305084 /nfs/dbraw/zinc/30/50/84/784305084.db2.gz KGFHTCCUWOEKRC-UHFFFAOYSA-N 0 0 340.301 2.388 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000819699172 785646667 /nfs/dbraw/zinc/64/66/67/785646667.db2.gz YJHWXIYXZMGZJW-HNNXBMFYSA-N 0 0 335.400 2.242 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1CN1CCOCC1 ZINC001136336211 785901320 /nfs/dbraw/zinc/90/13/20/785901320.db2.gz GYFLQVKTYFGDCG-UHFFFAOYSA-N 0 0 342.395 2.111 10 10 EECERN NC(=O)Cc1csc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001136370955 786434697 /nfs/dbraw/zinc/43/46/97/786434697.db2.gz XCSGJTISSDJZQP-UHFFFAOYSA-N 0 0 349.393 2.049 10 10 EECERN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000708193792 786763967 /nfs/dbraw/zinc/76/39/67/786763967.db2.gz WUKYNCIPSBPCLV-MNOVXSKESA-N 0 0 336.613 2.048 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H](O)CC[C@H]3C)C2)cc1 ZINC000823732087 787914960 /nfs/dbraw/zinc/91/49/60/787914960.db2.gz BMYMQFSVNCSTQI-INMHGKMJSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3nccnc3Cl)C2)cc1 ZINC000912292695 788090328 /nfs/dbraw/zinc/09/03/28/788090328.db2.gz OVYPGOZEVUHCBS-NSHDSACASA-N 0 0 332.791 2.147 10 10 EECERN O=C(N[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1)c1ccccc1 ZINC001136956652 788346751 /nfs/dbraw/zinc/34/67/51/788346751.db2.gz YVOWGDGKLHTXMC-AWEZNQCLSA-N 0 0 340.379 2.132 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3CCO[C@H](C)CC3)C2)cc1 ZINC000922950213 788425212 /nfs/dbraw/zinc/42/52/12/788425212.db2.gz FOEGQKNHPUSVRF-CVEARBPZSA-N 0 0 347.459 2.342 10 10 EECERN Cc1cc(C(=O)N2CC(C)(C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000843938867 788761345 /nfs/dbraw/zinc/76/13/45/788761345.db2.gz BSHVMQZFDWJRRG-UHFFFAOYSA-N 0 0 325.412 2.350 10 10 EECERN O=C(Nc1ccc(O)c(CNC(=O)[C@@H]2CC2(F)F)c1)[C@H]1CC1(F)F ZINC000923116480 788871488 /nfs/dbraw/zinc/87/14/88/788871488.db2.gz GUDOVWUTKMPJAE-VHSXEESVSA-N 0 0 346.280 2.257 10 10 EECERN COc1ccc(N(C)CCN(C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000844580784 789230549 /nfs/dbraw/zinc/23/05/49/789230549.db2.gz ODJDXGAGEWXPPQ-INIZCTEOSA-N 0 0 337.489 2.117 10 10 EECERN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c(C(F)(F)F)c1 ZINC000846103764 790063287 /nfs/dbraw/zinc/06/32/87/790063287.db2.gz XESOWIQMBSGMCV-MZFXBISCSA-N 0 0 332.391 2.477 10 10 EECERN C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000846192174 790085861 /nfs/dbraw/zinc/08/58/61/790085861.db2.gz FTGXLJYOSPMORI-XPTSAGLGSA-N 0 0 348.212 2.486 10 10 EECERN COc1ccc(C(=O)C(=O)NCc2cc(O)ccc2O)cc1Cl ZINC001176755498 798571099 /nfs/dbraw/zinc/57/10/99/798571099.db2.gz QGLORAPSLUJJAM-UHFFFAOYSA-N 0 0 335.743 2.259 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000786997939 806959748 /nfs/dbraw/zinc/95/97/48/806959748.db2.gz AHCKDOXEWIIKBZ-REPLKXPHSA-N 0 0 343.471 2.493 10 10 EECERN COCCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000787320145 807087856 /nfs/dbraw/zinc/08/78/56/807087856.db2.gz XPQVNTVNSOJLOL-PBHICJAKSA-N 0 0 335.448 2.261 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C2(CC(N)=O)CCC2)c1 ZINC000789555445 808077639 /nfs/dbraw/zinc/07/76/39/808077639.db2.gz KWCUQCHVVQZNLN-UHFFFAOYSA-N 0 0 327.222 2.351 10 10 EECERN COc1ccc(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)c(O)c1 ZINC000792795602 810000360 /nfs/dbraw/zinc/00/03/60/810000360.db2.gz HUVXLUJVSFSLQS-UHFFFAOYSA-N 0 0 331.372 2.118 10 10 EECERN CS(=O)(=O)c1cccc2c1N(C(=O)/C=C/c1cccnc1)CCC2 ZINC001129549539 810893817 /nfs/dbraw/zinc/89/38/17/810893817.db2.gz RTKZLLBEXXZNHA-MDZDMXLPSA-N 0 0 342.420 2.478 10 10 EECERN C[C@H]1COCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805364361 811257628 /nfs/dbraw/zinc/25/76/28/811257628.db2.gz MBVWDKFGCNMJTC-CABZTGNLSA-N 0 0 343.221 2.379 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1 ZINC000806178621 811790893 /nfs/dbraw/zinc/79/08/93/811790893.db2.gz IKKAEWRGHOFLSL-SWLSCSKDSA-N 0 0 330.384 2.001 10 10 EECERN CC(=O)C(=O)COC(=O)COc1ccccc1OCc1ccccc1 ZINC000808515703 812687125 /nfs/dbraw/zinc/68/71/25/812687125.db2.gz NDJLEVXYMGDYDA-UHFFFAOYSA-N 0 0 342.347 2.346 10 10 EECERN CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000808500167 812695783 /nfs/dbraw/zinc/69/57/83/812695783.db2.gz GQAVKDRQMGSGDH-UHFFFAOYSA-N 0 0 340.257 2.206 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C\CN1CCOCC1 ZINC001440710844 1093958207 /nfs/dbraw/zinc/95/82/07/1093958207.db2.gz FXCRUNGGBRQDKB-PLNGDYQASA-N 0 0 343.471 2.134 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)C3=C[S@@](=O)CCC3)C2)cc1 ZINC001452034486 1098138479 /nfs/dbraw/zinc/13/84/79/1098138479.db2.gz UJZITSJDJIUGAM-BSEYFRJRSA-N 0 0 348.468 2.064 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2ncn(C)c2n1 ZINC001444700038 1099555387 /nfs/dbraw/zinc/55/53/87/1099555387.db2.gz OUOWXVOXKZVTBU-UHFFFAOYSA-N 0 0 337.383 2.074 10 10 EECERN Cc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3ccccc3O)cnc12 ZINC001454817876 1107713019 /nfs/dbraw/zinc/71/30/19/1107713019.db2.gz MPNLRXWBUPUNSH-ZDUSSCGKSA-N 0 0 337.379 2.288 10 10 EECERN CCOC(=O)c1[nH]c(C)c(C(=O)NCc2c(O)cccc2O)c1C ZINC001456237005 1109119098 /nfs/dbraw/zinc/11/90/98/1109119098.db2.gz SBXPDMXJPJKICU-UHFFFAOYSA-N 0 0 332.356 2.149 10 10 EECERN O=C(NCc1ccnc(OC(F)F)c1)c1c(F)ccc(O)c1O ZINC001457803751 1109773416 /nfs/dbraw/zinc/77/34/16/1109773416.db2.gz GZCPWYIVTVILAD-UHFFFAOYSA-N 0 0 328.246 2.163 10 10 EECERN CN(C)C(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1F ZINC001465593187 1110420254 /nfs/dbraw/zinc/42/02/54/1110420254.db2.gz HQAODNQCPHRJCB-UHFFFAOYSA-N 0 0 332.331 2.120 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)[C@H]2CCOC2)cc1 ZINC001466519987 1110437580 /nfs/dbraw/zinc/43/75/80/1110437580.db2.gz ZGHRTNKDAKPNHL-FUHWJXTLSA-N 0 0 328.412 2.221 10 10 EECERN C[C@H]1C(=O)Nc2cc(C(=O)NCc3c(O)cccc3F)ccc2N1C ZINC001471975825 1110537120 /nfs/dbraw/zinc/53/71/20/1110537120.db2.gz ITJLBOAEFIQFKJ-JTQLQIEISA-N 0 0 343.358 2.238 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2cnn3c2CCCC3)cc1 ZINC001472066355 1110541076 /nfs/dbraw/zinc/54/10/76/1110541076.db2.gz ZDLOEMCTILFAKZ-UHFFFAOYSA-N 0 0 326.360 2.312 10 10 EECERN CCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001501330909 1113302374 /nfs/dbraw/zinc/30/23/74/1113302374.db2.gz ZAZAALOUFUIYDN-TZMCWYRMSA-N 0 0 345.403 2.274 10 10 EECERN NC(=O)CC[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001546327151 1118032169 /nfs/dbraw/zinc/03/21/69/1118032169.db2.gz HJGRJBQGRAPQOS-SNVBAGLBSA-N 0 0 348.424 2.430 10 10 EECERN CCN(CC)c1nnc(C)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001515532669 1118976119 /nfs/dbraw/zinc/97/61/19/1118976119.db2.gz RFMXUEQWVKHOGV-UHFFFAOYSA-N 0 0 347.438 2.457 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C3=NC(=O)C(C)S3)C2)cc1 ZINC001520328594 1119146235 /nfs/dbraw/zinc/14/62/35/1119146235.db2.gz DFNYOAGETHCWRL-NSHDSACASA-N 0 0 333.413 2.174 10 10 EECERN COCC[C@H]1CCN(C(=O)c2ccoc2CC(N)=O)c2ccccc21 ZINC001520992184 1119206620 /nfs/dbraw/zinc/20/66/20/1119206620.db2.gz HNSCRTDKJUSXHN-CYBMUJFWSA-N 0 0 342.395 2.478 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1cc(C2CCOCC2)nn1C ZINC001528025429 1120933029 /nfs/dbraw/zinc/93/30/29/1120933029.db2.gz YIHHUTMRFOWJEZ-UHFFFAOYSA-N 0 0 329.400 2.292 10 10 EECERN C[C@H](O)C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001545523945 1124194742 /nfs/dbraw/zinc/19/47/42/1124194742.db2.gz BSDUUBCSBQUJBF-BBRMVZONSA-N 0 0 329.396 2.311 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000069476314 530003345 /nfs/dbraw/zinc/00/33/45/530003345.db2.gz YWKNDLPUCYEJSV-INIZCTEOSA-N 0 0 339.395 2.339 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@@H]3CCc4[nH]cnc4C3)ccc21 ZINC000378100454 530065848 /nfs/dbraw/zinc/06/58/48/530065848.db2.gz PGTFPHZGOODHQB-OAHLLOKOSA-N 0 0 339.443 2.149 10 10 EECERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000083749816 237001293 /nfs/dbraw/zinc/00/12/93/237001293.db2.gz XRNMETVGIHUPOA-INIZCTEOSA-N 0 0 342.447 2.329 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)c1cnn(C)c1 ZINC000356013130 465287272 /nfs/dbraw/zinc/28/72/72/465287272.db2.gz OLSFSRDKKUHEJW-UHFFFAOYSA-N 0 0 328.416 2.189 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCn1cc(C)cn1 ZINC000118078171 462821802 /nfs/dbraw/zinc/82/18/02/462821802.db2.gz PKKDNCNUAOMSDG-UHFFFAOYSA-N 0 0 329.448 2.489 10 10 EECERN CCCn1nc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1=O ZINC000048232301 462877668 /nfs/dbraw/zinc/87/76/68/462877668.db2.gz BSLHBEQWYUFKAK-UHFFFAOYSA-N 0 0 340.427 2.184 10 10 EECERN COC(=O)CCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126211230 463617094 /nfs/dbraw/zinc/61/70/94/463617094.db2.gz INJNSPXITOKCLR-UHFFFAOYSA-N 0 0 331.416 2.205 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1F ZINC000171760350 463921537 /nfs/dbraw/zinc/92/15/37/463921537.db2.gz TZNHVFHDLDXORZ-WMZOPIPTSA-N 0 0 343.402 2.349 10 10 EECERN COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278573595 463970749 /nfs/dbraw/zinc/97/07/49/463970749.db2.gz DDEBOPYCZXEONT-AWEZNQCLSA-N 0 0 348.355 2.141 10 10 EECERN CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C12CCOCC2 ZINC000186306613 463973067 /nfs/dbraw/zinc/97/30/67/463973067.db2.gz FTLWCLJHEPKUHC-CVEARBPZSA-N 0 0 336.388 2.364 10 10 EECERN O=C(/C=C/c1cnccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269788694 464095209 /nfs/dbraw/zinc/09/52/09/464095209.db2.gz ITTHDQNBLCWSQQ-OZSKJFCKSA-N 0 0 339.395 2.403 10 10 EECERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188375020 464266519 /nfs/dbraw/zinc/26/65/19/464266519.db2.gz BBZDGXDCUIZWTO-UVPVHDQKSA-N 0 0 342.439 2.220 10 10 EECERN CN(C(=O)c1cccc(O)c1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000188480314 464291546 /nfs/dbraw/zinc/29/15/46/464291546.db2.gz AQMWELRANZFZJR-CQSZACIVSA-N 0 0 344.342 2.114 10 10 EECERN Cc1nccc(N2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000273792631 464725863 /nfs/dbraw/zinc/72/58/63/464725863.db2.gz VNYYIBWFBSSZLO-UHFFFAOYSA-N 0 0 329.423 2.312 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000266853315 464845764 /nfs/dbraw/zinc/84/57/64/464845764.db2.gz QABVZHOUQUPLFV-HNNXBMFYSA-N 0 0 325.412 2.338 10 10 EECERN CC(C)CO[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301642323 466002328 /nfs/dbraw/zinc/00/23/28/466002328.db2.gz BSRRZUPNWXAOAV-NSHDSACASA-N 0 0 335.360 2.177 10 10 EECERN COc1cc(O)c(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1OC ZINC000372391161 466347293 /nfs/dbraw/zinc/34/72/93/466347293.db2.gz DWJNNXCRNFZZPO-IJEWVQPXSA-N 0 0 337.416 2.178 10 10 EECERN COC(=O)c1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)o1 ZINC000597316513 468517977 /nfs/dbraw/zinc/51/79/77/468517977.db2.gz BWJQZBJGDLSERV-UHFFFAOYSA-N 0 0 344.367 2.480 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000291803615 534233203 /nfs/dbraw/zinc/23/32/03/534233203.db2.gz ZNUNVNVLABVCGZ-JQWIXIFHSA-N 0 0 346.349 2.172 10 10 EECERN CCOC(=O)CN(CC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC000298633510 520750714 /nfs/dbraw/zinc/75/07/14/520750714.db2.gz OYJFPAOHMAPNDR-UHFFFAOYSA-N 0 0 349.475 2.032 10 10 EECERN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CC1=O ZINC000742392208 575980284 /nfs/dbraw/zinc/98/02/84/575980284.db2.gz NOLGTJCPZJENTF-XWIASGKRSA-N 0 0 339.233 2.254 10 10 EECERN O=C(NCC[C@H]1CCOC1)NCc1cccc(Br)c1O ZINC000764804411 577488751 /nfs/dbraw/zinc/48/87/51/577488751.db2.gz GSEYUKDSMWBOPQ-JTQLQIEISA-N 0 0 343.221 2.381 10 10 EECERN Cc1cccnc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000761575070 577686203 /nfs/dbraw/zinc/68/62/03/577686203.db2.gz HDVZYHWALKDYCG-UHFFFAOYSA-N 0 0 346.368 2.184 10 10 EECERN COC[C@](C)(O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000754975156 577817392 /nfs/dbraw/zinc/81/73/92/577817392.db2.gz BKQBAZMIUFMYOI-IBGZPJMESA-N 0 0 330.428 2.150 10 10 EECERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000756762383 577849870 /nfs/dbraw/zinc/84/98/70/577849870.db2.gz QCDAMYSNSHBKPX-NSHDSACASA-N 0 0 331.376 2.368 10 10 EECERN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)O ZINC000738989045 578033777 /nfs/dbraw/zinc/03/37/77/578033777.db2.gz JODFMGJPRVANDJ-UONOGXRCSA-N 0 0 335.448 2.043 10 10 EECERN Cc1cc(CC(=O)NCCNC(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000736107783 578180189 /nfs/dbraw/zinc/18/01/89/578180189.db2.gz LGFSDWFIGCSWTM-UHFFFAOYSA-N 0 0 348.834 2.075 10 10 EECERN Oc1ccc(Br)cc1CNc1ccc2nccnc2n1 ZINC000804827537 675651446 /nfs/dbraw/zinc/65/14/46/675651446.db2.gz AGRIMERBZGZYDO-UHFFFAOYSA-N 0 0 331.173 2.479 10 10 EECERN COC(=O)/C(C)=C/CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000914180891 683338948 /nfs/dbraw/zinc/33/89/48/683338948.db2.gz ZNZMSTYRKADTOV-NTEUORMPSA-N 0 0 331.416 2.205 10 10 EECERN CO[C@@H]1C[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000924126171 684582418 /nfs/dbraw/zinc/58/24/18/684582418.db2.gz GTUAWNUCQLHTPV-GDBMZVCRSA-N 0 0 346.358 2.389 10 10 EECERN O=C(NCCCO[C@@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 ZINC000896957246 686008799 /nfs/dbraw/zinc/00/87/99/686008799.db2.gz TXKXBQKTPMQONY-LLVKDONJSA-N 0 0 337.397 2.238 10 10 EECERN COC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000198258846 686041913 /nfs/dbraw/zinc/04/19/13/686041913.db2.gz NRGZHRNXGXMZQI-VMSUTVGLSA-N 0 0 327.336 2.142 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)n3cnc(C)c3)C2)cc1 ZINC000898580952 693382415 /nfs/dbraw/zinc/38/24/15/693382415.db2.gz QHHUIRREPPCHTQ-HNNXBMFYSA-N 0 0 342.443 2.330 10 10 EECERN COC(=O)[C@H]1CCC[C@H](n2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864644431 1197862377 /nfs/dbraw/zinc/86/23/77/1197862377.db2.gz GBTGHWRAHVQWLV-WFASDCNBSA-N 0 0 330.388 2.344 10 10 EECERN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(O)c1O ZINC000811566589 1200123456 /nfs/dbraw/zinc/12/34/56/1200123456.db2.gz HMLVNQCASUHURI-UHFFFAOYSA-N 0 0 341.323 2.460 10 10 EECERN c1csc(CN(CCn2cnnn2)c2ccc3c(c2)OCCO3)c1 ZINC000878232519 1200339627 /nfs/dbraw/zinc/33/96/27/1200339627.db2.gz FHWMYDDQCRJPSZ-UHFFFAOYSA-N 0 0 343.412 2.213 10 10 EECERN CC(=O)N(CCc1ccccc1)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203822 1201099662 /nfs/dbraw/zinc/09/96/62/1201099662.db2.gz RVIUIZMVIZUDGG-UHFFFAOYSA-N 0 0 338.407 2.326 10 10 EECERN CC(C)(C)OCCS(=O)(=O)NCCCSc1nccs1 ZINC000866780662 1201604533 /nfs/dbraw/zinc/60/45/33/1201604533.db2.gz BQKTUIAIQIHBRL-UHFFFAOYSA-N 0 0 338.520 2.360 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](c2ncccn2)C1 ZINC000924337980 1205961829 /nfs/dbraw/zinc/96/18/29/1205961829.db2.gz YOLXHTFUHCRJBM-BRLPQQTGSA-N 0 0 325.368 2.307 10 10 EECERN Cc1cnc(CN2C(=O)CN(Cc3ccccc3O)C2=O)c(C)c1 ZINC000925238768 1206085733 /nfs/dbraw/zinc/08/57/33/1206085733.db2.gz NOMKPLMOCPULIE-UHFFFAOYSA-N 0 0 325.368 2.368 10 10 EECERN COC(C)(C)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000925495590 1206119299 /nfs/dbraw/zinc/11/92/99/1206119299.db2.gz ZHPOECNPOLOMKI-OAHLLOKOSA-N 0 0 349.475 2.478 10 10 EECERN COc1cc(CC(=O)NCc2c(O)cccc2F)cc(OC)c1OC ZINC000928707766 1206413769 /nfs/dbraw/zinc/41/37/69/1206413769.db2.gz BJYRDEODKHDPMP-UHFFFAOYSA-N 0 0 349.358 2.416 10 10 EECERN COc1nnc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000930211332 1206541713 /nfs/dbraw/zinc/54/17/13/1206541713.db2.gz SWXGFZZPYOJQSR-LBPRGKRZSA-N 0 0 334.445 2.234 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1COc2ccccc2O1 ZINC000779491638 1210396071 /nfs/dbraw/zinc/39/60/71/1210396071.db2.gz RTOZHPORYLYQLU-CFNZNRNTSA-N 0 0 327.336 2.067 10 10 EECERN C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC(=O)N1C ZINC000800537291 1234281437 /nfs/dbraw/zinc/28/14/37/1234281437.db2.gz RCWYDFKFFJOEQW-NSHDSACASA-N 0 0 329.366 2.434 10 10 EECERN Cc1cc(Br)c(O)c(CN2CC(=O)NCC2(C)C)c1 ZINC000800539317 1234284313 /nfs/dbraw/zinc/28/43/13/1234284313.db2.gz WFMFCJNIUIRCNL-UHFFFAOYSA-N 0 0 327.222 2.174 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CSCN1C(C)=O ZINC000801545925 1235815331 /nfs/dbraw/zinc/81/53/31/1235815331.db2.gz GEMUTFVMSQLNMJ-HNNXBMFYSA-N 0 0 336.457 2.442 10 10 EECERN COC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000852140316 1292010555 /nfs/dbraw/zinc/01/05/55/1292010555.db2.gz HSXVMZVMITYSPJ-RHSMWYFYSA-N 0 0 335.448 2.244 10 10 EECERN CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)C2=CC(=O)CS2)C1 ZINC000852992104 1292250759 /nfs/dbraw/zinc/25/07/59/1292250759.db2.gz HNPDNCZXVNYQHM-UHFFFAOYSA-N 0 0 349.412 2.144 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3nnc(C)s3)C2)cc1 ZINC000853818619 1292469590 /nfs/dbraw/zinc/46/95/90/1292469590.db2.gz XKJQEXNRXJWJOM-NSHDSACASA-N 0 0 333.417 2.256 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccnn2C2CCOCC2)cc1 ZINC000854271587 1292698605 /nfs/dbraw/zinc/69/86/05/1292698605.db2.gz MOYDLYYVYIGDNT-UHFFFAOYSA-N 0 0 328.416 2.231 10 10 EECERN CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)(C)O ZINC000854297887 1292708875 /nfs/dbraw/zinc/70/88/75/1292708875.db2.gz SQZPPEXTYHDVJK-CZUORRHYSA-N 0 0 335.448 2.123 10 10 EECERN CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854303402 1292713195 /nfs/dbraw/zinc/71/31/95/1292713195.db2.gz WJBMVLGKXODALV-ARFHVFGLSA-N 0 0 347.459 2.483 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)COCc1nccn1C ZINC000854374979 1292754089 /nfs/dbraw/zinc/75/40/89/1292754089.db2.gz CGRXXGYDTXAKDB-UHFFFAOYSA-N 0 0 331.416 2.471 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC(=O)[C@H]3C)C2)cc1 ZINC000855226052 1293118511 /nfs/dbraw/zinc/11/85/11/1293118511.db2.gz PQTURIKIPZAZOR-ZNMIVQPWSA-N 0 0 330.428 2.395 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc4nccnc4c3)C2)cc1 ZINC000855227837 1293119527 /nfs/dbraw/zinc/11/95/27/1293119527.db2.gz QDRZERTXZAZGPS-CQSZACIVSA-N 0 0 349.394 2.042 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4nccn4c3)C2)cc1 ZINC000855231939 1293122007 /nfs/dbraw/zinc/12/20/07/1293122007.db2.gz ZAQBIIOZVPLJEW-OAHLLOKOSA-N 0 0 336.395 2.352 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC(CC2CC2)C1 ZINC000856846297 1293654742 /nfs/dbraw/zinc/65/47/42/1293654742.db2.gz HBWLAFXVCKWFLP-UHFFFAOYSA-N 0 0 329.444 2.465 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cncc(Cl)n3)C2)cc1 ZINC000857302590 1293787219 /nfs/dbraw/zinc/78/72/19/1293787219.db2.gz WAQBYQMJSGPKOE-LLVKDONJSA-N 0 0 332.791 2.147 10 10 EECERN CCS(=O)(=O)C1(CNCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858194490 1294041320 /nfs/dbraw/zinc/04/13/20/1294041320.db2.gz HAZYITGIZZISOK-UHFFFAOYSA-N 0 0 332.416 2.088 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000858886643 1294253622 /nfs/dbraw/zinc/25/36/22/1294253622.db2.gz YFFQIUXGANZDFZ-MRXNPFEDSA-N 0 0 340.489 2.472 10 10 EECERN Cc1cc(C(=O)N[C@@H]2COCCC2=O)c(C)n1-c1ccccc1C ZINC000862932965 1296027352 /nfs/dbraw/zinc/02/73/52/1296027352.db2.gz XEECAVMEBVJREF-MRXNPFEDSA-N 0 0 326.396 2.490 10 10 EECERN CCOC(=O)/C(=C/c1cn(C)nc1Br)c1nccn1C ZINC000863185036 1296142154 /nfs/dbraw/zinc/14/21/54/1296142154.db2.gz OGTKJJRKUHDHHU-JXMROGBWSA-N 0 0 339.193 2.020 10 10 EECERN COc1ccc(CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)c(O)c1 ZINC000797617163 1304792080 /nfs/dbraw/zinc/79/20/80/1304792080.db2.gz NYVNDMQWHUOVBD-UHFFFAOYSA-N 0 0 343.339 2.053 10 10 EECERN Cc1c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1C ZINC000798725930 1305070959 /nfs/dbraw/zinc/07/09/59/1305070959.db2.gz JQXMKJLSDLUZPH-UHFFFAOYSA-N 0 0 343.427 2.215 10 10 EECERN C[C@@H]1CN(c2ccc(CNc3c[nH]c(=O)[nH]c3=O)cc2F)C[C@H](C)O1 ZINC001115858821 1305839751 /nfs/dbraw/zinc/83/97/51/1305839751.db2.gz CGJCGALLOPDWFE-PHIMTYICSA-N 0 0 348.378 2.253 10 10 EECERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917135 1315259085 /nfs/dbraw/zinc/25/90/85/1315259085.db2.gz ACJZZSKJUCXGHP-DYVFJYSZSA-N 0 0 349.500 2.030 10 10 EECERN CCOC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001142303277 1315554493 /nfs/dbraw/zinc/55/44/93/1315554493.db2.gz FACJHFBTDAOXBF-UHFFFAOYSA-N 0 0 329.352 2.133 10 10 EECERN Cn1cc([C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])cn1 ZINC000841807881 1315615945 /nfs/dbraw/zinc/61/59/45/1315615945.db2.gz VEFITDQWEDGLQT-QGZVFWFLSA-N 0 0 328.416 2.326 10 10 EECERN Cn1nnc2ccc(C(=O)NCc3ccc4cccnc4c3O)cc21 ZINC001142727999 1315717673 /nfs/dbraw/zinc/71/76/73/1315717673.db2.gz JWYLRMPVXYXQPM-UHFFFAOYSA-N 0 0 333.351 2.152 10 10 EECERN CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1OC(C)C)C1CC1 ZINC000842587387 1315726477 /nfs/dbraw/zinc/72/64/77/1315726477.db2.gz CZJGNMSQRLNPQP-OAHLLOKOSA-N 0 0 329.418 2.346 10 10 EECERN C=C/C=C\CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001153847359 1316899161 /nfs/dbraw/zinc/89/91/61/1316899161.db2.gz ZNSOMBSWPVAXAU-SREVYHEPSA-N 0 0 346.427 2.493 10 10 EECERN Cn1c(=O)cc(C(=O)NCc2c(O)cccc2F)c2ccccc21 ZINC001156171188 1317905307 /nfs/dbraw/zinc/90/53/07/1317905307.db2.gz XIVHPSLLTLUMFY-UHFFFAOYSA-N 0 0 326.327 2.313 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@H]2C)cc1F ZINC001257235071 1318969329 /nfs/dbraw/zinc/96/93/29/1318969329.db2.gz YBIXDQVSLIOUAD-TZMCWYRMSA-N 0 0 335.423 2.060 10 10 EECERN O=C(Cc1cnn(-c2ccccc2)n1)NCc1cccc(Cl)c1O ZINC001159034431 1319572117 /nfs/dbraw/zinc/57/21/17/1319572117.db2.gz WHIVULLZBPRBMC-UHFFFAOYSA-N 0 0 342.786 2.485 10 10 EECERN CN(C)c1ccc(CN(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC001161994356 1320711812 /nfs/dbraw/zinc/71/18/12/1320711812.db2.gz WYFGXNPANBPZQQ-UHFFFAOYSA-N 0 0 328.372 2.396 10 10 EECERN CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001162801319 1320962162 /nfs/dbraw/zinc/96/21/62/1320962162.db2.gz XQVYVRPWQFLYTN-IAGOWNOFSA-N 0 0 330.428 2.492 10 10 EECERN CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC001261686717 1322154103 /nfs/dbraw/zinc/15/41/03/1322154103.db2.gz UTVXZBUFSOGBIJ-SFHVURJKSA-N 0 0 343.471 2.454 10 10 EECERN COc1ccc(N2CCCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)cc1 ZINC001331343314 1334999988 /nfs/dbraw/zinc/99/99/88/1334999988.db2.gz FSFGPJLFNCNWSE-UHFFFAOYSA-N 0 0 342.443 2.435 10 10 EECERN C[C@@H](NCc1nc(Br)nn1C)c1ccc(N(C)C)cc1 ZINC001332737134 1335894697 /nfs/dbraw/zinc/89/46/97/1335894697.db2.gz NWBQVLWGKRIEKK-SNVBAGLBSA-N 0 0 338.253 2.494 10 10 EECERN C[NH+](C)CCn1cc(NC(=O)NCc2cccc(Cl)c2O)cn1 ZINC001334874596 1336305946 /nfs/dbraw/zinc/30/59/46/1336305946.db2.gz RQKQXRXZYKGUQI-UHFFFAOYSA-N 0 0 337.811 2.125 10 10 EECERN CCOc1ccc(N2CCN(Cc3nnc(OC)s3)CC2)cc1 ZINC001335581179 1336397745 /nfs/dbraw/zinc/39/77/45/1336397745.db2.gz FTIDMAGMHXGJOB-UHFFFAOYSA-N 0 0 334.445 2.268 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001340921393 1337266320 /nfs/dbraw/zinc/26/63/20/1337266320.db2.gz SPCJAYGVARNCPQ-BPQIPLTHSA-N 0 0 341.455 2.208 10 10 EECERN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cncs1 ZINC001354674349 1338578831 /nfs/dbraw/zinc/57/88/31/1338578831.db2.gz HSXFMSDTSZNMKX-NWDGAFQWSA-N 0 0 346.456 2.264 10 10 EECERN CC[C@@H]1CN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC001614207802 1352318467 /nfs/dbraw/zinc/31/84/67/1352318467.db2.gz PALMBPZCQTYVIG-OAHLLOKOSA-N 0 0 347.438 2.455 10 10 EECERN CC(=O)Nc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)nc1 ZINC001434914926 1341976634 /nfs/dbraw/zinc/97/66/34/1341976634.db2.gz MNQFKCYJPLPUMM-UHFFFAOYSA-N 0 0 330.363 2.175 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001556515994 1342430074 /nfs/dbraw/zinc/43/00/74/1342430074.db2.gz VMBBFQIWUAWLSI-GFCCVEGCSA-N 0 0 341.448 2.435 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccccc1NC(=O)C1CC1 ZINC001593881359 1349873181 /nfs/dbraw/zinc/87/31/81/1349873181.db2.gz IJOUJXDPNDFGBD-UHFFFAOYSA-N 0 0 326.352 2.376 10 10 EECERN CN(C)c1ccc(CN(C(=O)c2ccc(CO)nc2)C2CC2)cc1 ZINC001595317966 1349883762 /nfs/dbraw/zinc/88/37/62/1349883762.db2.gz JFZBAAYEUNJYFZ-UHFFFAOYSA-N 0 0 325.412 2.445 10 10 EECERN C[C@@H](CC(=O)NCc1c(O)cccc1O)NC(=O)C1CCCCC1 ZINC001597574190 1349928028 /nfs/dbraw/zinc/92/80/28/1349928028.db2.gz JUMIOYRJMMBOPC-LBPRGKRZSA-N 0 0 334.416 2.189 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccnc(F)c1 ZINC001624537572 1352423704 /nfs/dbraw/zinc/42/37/04/1352423704.db2.gz MTZPIYGKADLQTM-UHFFFAOYSA-N 0 0 343.402 2.258 10 10 EECERN CN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)CN1CCOCC1 ZINC001626310130 1352459674 /nfs/dbraw/zinc/45/96/74/1352459674.db2.gz XPOQKPUNZNNYSO-UHFFFAOYSA-N 0 0 347.419 2.032 10 10 EECERN CC(C)(C)OC(=O)N1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001628314060 1352529884 /nfs/dbraw/zinc/52/98/84/1352529884.db2.gz GOMLSTSLFXCAKS-UHFFFAOYSA-N 0 0 336.388 2.415 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1nc(-c2cnccn2)no1 ZINC001631159426 1352578323 /nfs/dbraw/zinc/57/83/23/1352578323.db2.gz ODXARHLPPVFTJH-UHFFFAOYSA-N 0 0 339.355 2.285 10 10 EECERN O=Cc1ccc(OC(F)(F)C(=O)NCc2ccc(O)cc2O)cc1 ZINC001638352614 1352687678 /nfs/dbraw/zinc/68/76/78/1352687678.db2.gz SPPHBAGIGHAJKV-UHFFFAOYSA-N 0 0 337.278 2.198 10 10 EECERN CN1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1=O ZINC001639513360 1352698747 /nfs/dbraw/zinc/69/87/47/1352698747.db2.gz RQNITUIBKQJABU-ZDUSSCGKSA-N 0 0 339.351 2.468 10 10 EECERN CCC[C@H](OCC)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC001639587692 1352699666 /nfs/dbraw/zinc/69/96/66/1352699666.db2.gz BLMJIZKSTRWEBX-INIZCTEOSA-N 0 0 337.416 2.489 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1cnc2sccn2c1=O ZINC001639966224 1352703400 /nfs/dbraw/zinc/70/34/00/1352703400.db2.gz YEYMZOUQSYWDFN-UHFFFAOYSA-N 0 0 335.772 2.045 10 10 EECERN Cc1oc(S(C)(=O)=O)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001639968752 1352703486 /nfs/dbraw/zinc/70/34/86/1352703486.db2.gz NFKUQQNIIJQHLQ-UHFFFAOYSA-N 0 0 343.788 2.281 10 10 EECERN C[C@H](CNC(=O)c1cccc(O)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC001643822354 1352752927 /nfs/dbraw/zinc/75/29/27/1352752927.db2.gz PPTOGMDCIGTIGX-LLVKDONJSA-N 0 0 349.408 2.035 10 10 EECERN O=C(CNC(=O)OCc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001650674659 1354026640 /nfs/dbraw/zinc/02/66/40/1354026640.db2.gz LIEFKCBXWNBOLN-UHFFFAOYSA-N 0 0 326.352 2.161 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC(c3ncon3)CC2)cc1 ZINC001652262820 1354083822 /nfs/dbraw/zinc/08/38/22/1354083822.db2.gz DSPDXPWDHFMEOF-UHFFFAOYSA-N 0 0 328.332 2.252 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)cc1 ZINC001653002733 1354110836 /nfs/dbraw/zinc/11/08/36/1354110836.db2.gz NPSHGOMLVWHGKX-CQSZACIVSA-N 0 0 346.387 2.307 10 10 EECERN COC(=O)Cc1ccc(NCCc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC001655216851 1354167515 /nfs/dbraw/zinc/16/75/15/1354167515.db2.gz GFBOETWQOPHPIA-UHFFFAOYSA-N 0 0 346.339 2.376 10 10 EECERN Nc1nc(NCc2ccc3cccnc3c2O)nc(C(F)(F)F)n1 ZINC001655586200 1354179186 /nfs/dbraw/zinc/17/91/86/1354179186.db2.gz XWVSCQCAQNWTNL-UHFFFAOYSA-N 0 0 336.277 2.339 10 10 EECERN Cc1cc(C(=O)CSCC(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000840212224 782411358 /nfs/dbraw/zinc/41/13/58/782411358.db2.gz LDTRIAMNXYBNPH-UHFFFAOYSA-N 0 0 346.408 2.224 10 10 EECERN O=S1(=O)CCC[C@H]([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000694814346 761973430 /nfs/dbraw/zinc/97/34/30/761973430.db2.gz RBOXYLWJMWFYGU-NSHDSACASA-N 0 0 348.262 2.212 10 10 EECERN CCOC(=O)CN(C(=O)/C=C/c1cn(C)cn1)c1ccc(F)cc1 ZINC001125332211 757510230 /nfs/dbraw/zinc/51/02/30/757510230.db2.gz OXLMZQASVSXMAE-RMKNXTFCSA-N 0 0 331.347 2.169 10 10 EECERN Cn1cc(S(=O)(=O)NCc2c(O)cccc2F)c(C(C)(C)C)n1 ZINC000921450994 773382180 /nfs/dbraw/zinc/38/21/80/773382180.db2.gz IOZRNUVJCLIYLX-UHFFFAOYSA-N 0 0 341.408 2.041 10 10 EECERN Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c(O)c1O ZINC000924276495 780092465 /nfs/dbraw/zinc/09/24/65/780092465.db2.gz XXAZMUDGSFSKOB-CVXDAYKESA-N 0 0 335.400 2.109 10 10 EECERN CCO[C@H]1[C@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)[C@@H]1C ZINC000906510342 783956046 /nfs/dbraw/zinc/95/60/46/783956046.db2.gz AKIUSMBRKAYSMO-MORSLUCNSA-N 0 0 332.444 2.451 10 10 EECERN CN(C)c1ccc(CNC(=O)CCN2CSCCSC2)cc1 ZINC001135643637 784148499 /nfs/dbraw/zinc/14/84/99/784148499.db2.gz WQAHHOXZRKONEM-UHFFFAOYSA-N 0 0 339.530 2.456 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC000817878042 785039079 /nfs/dbraw/zinc/03/90/79/785039079.db2.gz MTTPCHFCYXSBCX-CVEARBPZSA-N 0 0 348.443 2.205 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC000817878045 785039662 /nfs/dbraw/zinc/03/96/62/785039662.db2.gz MTTPCHFCYXSBCX-JKSUJKDBSA-N 0 0 348.443 2.205 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCNCc2cccnc2)c1 ZINC000817940915 785086659 /nfs/dbraw/zinc/08/66/59/785086659.db2.gz PDIHQGNEKLUSTI-CQSZACIVSA-N 0 0 343.427 2.404 10 10 EECERN O=C(NCc1cc(NC(=O)[C@H]2CC2(F)F)ccc1O)[C@H]1CC1(F)F ZINC000923116478 788871955 /nfs/dbraw/zinc/87/19/55/788871955.db2.gz GUDOVWUTKMPJAE-NXEZZACHSA-N 0 0 346.280 2.257 10 10 EECERN O=C(NCc1cc(NC(=O)[C@@H]2CC2(F)F)ccc1O)[C@@H]1CC1(F)F ZINC000923116479 788871971 /nfs/dbraw/zinc/87/19/71/788871971.db2.gz GUDOVWUTKMPJAE-UWVGGRQHSA-N 0 0 346.280 2.257 10 10 EECERN O=C(NCCCSc1nccs1)NCCC1(CO)CCC1 ZINC000845045961 789543127 /nfs/dbraw/zinc/54/31/27/789543127.db2.gz KPTHGUQQLPPUAR-UHFFFAOYSA-N 0 0 329.491 2.477 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cc3c([nH]2)CCOC3)cc1 ZINC000846444623 790171073 /nfs/dbraw/zinc/17/10/73/790171073.db2.gz FJFOCARQAVGTBM-UHFFFAOYSA-N 0 0 343.427 2.304 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@]1(O)CCOC1 ZINC000846450611 790174181 /nfs/dbraw/zinc/17/41/81/790174181.db2.gz GVEQIKGTTPPGBP-KRWDZBQOSA-N 0 0 334.441 2.427 10 10 EECERN COc1ccc2ccc(O)c(CN3CCS(=O)(=O)[C@@H](C)C3)c2c1 ZINC000151602241 793994420 /nfs/dbraw/zinc/99/44/20/793994420.db2.gz TVEDPILEWPZGAJ-LBPRGKRZSA-N 0 0 335.425 2.173 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000914158932 795028492 /nfs/dbraw/zinc/02/84/92/795028492.db2.gz YOKIHGMDLRJFOX-SNVBAGLBSA-N 0 0 349.328 2.215 10 10 EECERN CN1CCO[C@H](C[N@H+](C)Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715788083 795503470 /nfs/dbraw/zinc/50/34/70/795503470.db2.gz XYRDEAHUYSNFEA-LBPRGKRZSA-N 0 0 347.228 2.056 10 10 EECERN C[C@@H](NC(=O)CCOc1ccc(C(N)=O)cc1)c1ccccc1O ZINC001171723543 796704854 /nfs/dbraw/zinc/70/48/54/796704854.db2.gz UBLFYAIZFVNKHL-GFCCVEGCSA-N 0 0 328.368 2.137 10 10 EECERN CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001171730225 796707382 /nfs/dbraw/zinc/70/73/82/796707382.db2.gz MLOKOZYOKFHISP-LBPRGKRZSA-N 0 0 348.424 2.181 10 10 EECERN CCN(CCC(N)=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000917521822 798253782 /nfs/dbraw/zinc/25/37/82/798253782.db2.gz ATBXMMYGSIVVOR-UHFFFAOYSA-N 0 0 346.475 2.330 10 10 EECERN Cc1cc(N2CCC(NC(=O)NCc3c(O)cccc3F)CC2)n[nH]1 ZINC000922122047 799024286 /nfs/dbraw/zinc/02/42/86/799024286.db2.gz KJNDENBLYLQRQX-UHFFFAOYSA-N 0 0 347.394 2.031 10 10 EECERN O=C(CNC(=O)c1cccc(Cl)c1)NCc1c(O)cccc1F ZINC001178410916 799464942 /nfs/dbraw/zinc/46/49/42/799464942.db2.gz YSECKBRUKHJQNX-UHFFFAOYSA-N 0 0 336.750 2.231 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccc2nnc(C(F)F)n2c1 ZINC001178412840 799466832 /nfs/dbraw/zinc/46/68/32/799466832.db2.gz HWRPXUHNEDAXAE-UHFFFAOYSA-N 0 0 336.273 2.442 10 10 EECERN Cc1cc(Br)c(O)c(CN2C[C@H](C)O[C@H](CO)C2)c1 ZINC000787416291 807107488 /nfs/dbraw/zinc/10/74/88/807107488.db2.gz AQUFLWTVGVDQQY-JQWIXIFHSA-N 0 0 330.222 2.045 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1 ZINC000788531578 807582204 /nfs/dbraw/zinc/58/22/04/807582204.db2.gz DUZNBHUZHIAOLJ-UHFFFAOYSA-N 0 0 343.402 2.305 10 10 EECERN COc1nn(C)cc1NC(=O)NCCCSc1nccs1 ZINC000789327980 807947830 /nfs/dbraw/zinc/94/78/30/807947830.db2.gz XPZJTHRHVDHIQE-UHFFFAOYSA-N 0 0 327.435 2.189 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cnn(C)c3SC)CC2)cc1 ZINC000790114427 808393017 /nfs/dbraw/zinc/39/30/17/808393017.db2.gz SVTHLWMAHMDEJU-UHFFFAOYSA-N 0 0 346.456 2.113 10 10 EECERN CC[C@H]1CC[N@@H+]1Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000793822419 810549759 /nfs/dbraw/zinc/54/97/59/810549759.db2.gz XLHTVJJYFNSXFC-SFHVURJKSA-N 0 0 332.444 2.411 10 10 EECERN C[C@@]1(CNC(=O)NCc2cc(Br)ccc2O)CCOC1 ZINC000805111103 811138966 /nfs/dbraw/zinc/13/89/66/811138966.db2.gz PQDWSONBBFZQIH-AWEZNQCLSA-N 0 0 343.221 2.381 10 10 EECERN C[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1cn[nH]c1 ZINC000805233806 811184468 /nfs/dbraw/zinc/18/44/68/811184468.db2.gz MEGSBTCXJZZLSX-MRVPVSSYSA-N 0 0 339.193 2.438 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1c(O)cccc1O ZINC000807738798 812316423 /nfs/dbraw/zinc/31/64/23/812316423.db2.gz GXLVBJCLZKQTSV-UHFFFAOYSA-N 0 0 338.157 2.496 10 10 EECERN C[C@@H](NC(=O)N1CCO[C@@]2(CCCOC2)C1)c1ccc(N(C)C)cc1 ZINC000805308641 812604608 /nfs/dbraw/zinc/60/46/08/812604608.db2.gz HGAWBMDVLCNFDJ-BEFAXECRSA-N 0 0 347.459 2.405 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(C)c(NC(=O)NC(C)(C)C)c1 ZINC000808520826 812689911 /nfs/dbraw/zinc/68/99/11/812689911.db2.gz YZWZVUZPMKCQBJ-UHFFFAOYSA-N 0 0 334.372 2.230 10 10 EECERN CC(=O)C(=O)COC(=O)CCCc1cccc(Br)c1 ZINC000808526123 812693265 /nfs/dbraw/zinc/69/32/65/812693265.db2.gz LWXDPNVAKSQOSI-UHFFFAOYSA-N 0 0 327.174 2.473 10 10 EECERN CCCOc1ccc(C[NH2+][C@@H](Cc2ncccn2)C(=O)[O-])cc1C ZINC001261890190 1126161276 /nfs/dbraw/zinc/16/12/76/1126161276.db2.gz WXBDZLNBUFFVIL-HNNXBMFYSA-N 0 0 329.400 2.359 10 10 EECERN CCSc1c[nH]c(=O)c(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001445938047 1091873129 /nfs/dbraw/zinc/87/31/29/1091873129.db2.gz MWBJBVVTBUCKQJ-UHFFFAOYSA-N 0 0 334.397 2.283 10 10 EECERN O=C(CCn1sc2ccccc2c1=O)NCc1ccccc1O ZINC001445972319 1091927947 /nfs/dbraw/zinc/92/79/47/1091927947.db2.gz RLIGOZOCTIKEJQ-UHFFFAOYSA-N 0 0 328.393 2.475 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1c(F)cccc1Cl ZINC001465867549 1110425170 /nfs/dbraw/zinc/42/51/70/1110425170.db2.gz TWNOTETVJAKUAE-AWEZNQCLSA-N 0 0 339.750 2.283 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCSC[C@H]1c1nccs1 ZINC001467268233 1110452216 /nfs/dbraw/zinc/45/22/16/1110452216.db2.gz BDTSIKJZTFNPRE-NSHDSACASA-N 0 0 336.438 2.414 10 10 EECERN Cc1nonc1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001468660751 1110478327 /nfs/dbraw/zinc/47/83/27/1110478327.db2.gz XWHBYRKIPXGIOI-UHFFFAOYSA-N 0 0 334.339 2.269 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc(F)ccc1-n1cccn1 ZINC001472063371 1110540734 /nfs/dbraw/zinc/54/07/34/1110540734.db2.gz JCLNWYZMSJDOIW-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NOC[C@H]1CCOC1 ZINC001478443376 1110654653 /nfs/dbraw/zinc/65/46/53/1110654653.db2.gz VOHQKGONDZNZFN-INIZCTEOSA-N 0 0 333.432 2.396 10 10 EECERN CC[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 ZINC001515726165 1118983425 /nfs/dbraw/zinc/98/34/25/1118983425.db2.gz POEIFLYKIVTNKK-UKRRQHHQSA-N 0 0 346.431 2.100 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)nc2c1cnn2C ZINC001568737853 1124752070 /nfs/dbraw/zinc/75/20/70/1124752070.db2.gz QACNLWFEWKCNSF-UHFFFAOYSA-N 0 0 345.399 2.398 10 10 EECERN Cn1ccnc1SCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000053353708 214177831 /nfs/dbraw/zinc/17/78/31/214177831.db2.gz LHNOFAHNTALSGY-UHFFFAOYSA-N 0 0 330.457 2.429 10 10 EECERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N(C)C)cc1 ZINC000087252821 529749848 /nfs/dbraw/zinc/74/98/48/529749848.db2.gz WXFCDWOSVOHLCY-HNNXBMFYSA-N 0 0 342.447 2.241 10 10 EECERN CCCc1nc2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2n1 ZINC000047154870 213833184 /nfs/dbraw/zinc/83/31/84/213833184.db2.gz GWRVCLKLUVHKEA-QINSGFPZSA-N 0 0 342.468 2.497 10 10 EECERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1cccc(O)c1O ZINC000192910847 237351646 /nfs/dbraw/zinc/35/16/46/237351646.db2.gz ZVQWMNXRMDXWOG-UHFFFAOYSA-N 0 0 340.379 2.132 10 10 EECERN CNC(=O)c1ccc(N(C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000074727270 462627552 /nfs/dbraw/zinc/62/75/52/462627552.db2.gz ATFSVSZEPDUXEV-UHFFFAOYSA-N 0 0 339.443 2.463 10 10 EECERN COc1ccc(N2CCN(C(=O)NCc3csc(C)n3)CC2)cc1 ZINC000065401513 462765772 /nfs/dbraw/zinc/76/57/72/462765772.db2.gz RAALLCYYBHYWIU-UHFFFAOYSA-N 0 0 346.456 2.492 10 10 EECERN Cc1cc(C)n(C[C@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)n1 ZINC000122519899 463270228 /nfs/dbraw/zinc/27/02/28/463270228.db2.gz RXUKNBRKLCWEDR-LJQANCHMSA-N 0 0 328.460 2.467 10 10 EECERN O=C(N[C@H]1CCCOC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000171619268 463893643 /nfs/dbraw/zinc/89/36/43/463893643.db2.gz YTQBNZZKBWTSIX-JKSUJKDBSA-N 0 0 334.416 2.262 10 10 EECERN C[C@@H]1COCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000277598596 463921971 /nfs/dbraw/zinc/92/19/71/463921971.db2.gz VLMDTPJUNSRORX-CRAIPNDOSA-N 0 0 347.459 2.090 10 10 EECERN CCOCc1nc([C@@H](C)NCc2cc(OC)c(OC)cc2O)no1 ZINC000291031100 464142435 /nfs/dbraw/zinc/14/24/35/464142435.db2.gz YMCXDPDRQDULMW-SNVBAGLBSA-N 0 0 337.376 2.180 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1 ZINC000188167449 464213730 /nfs/dbraw/zinc/21/37/30/464213730.db2.gz WYPLNEPTKVPOAG-UHFFFAOYSA-N 0 0 325.412 2.398 10 10 EECERN Oc1cc2c(cc1CN1CCOC[C@@H]1C[C@@H](O)c1ccco1)OCO2 ZINC000271238380 464288923 /nfs/dbraw/zinc/28/89/23/464288923.db2.gz BNHNOPGFADJSFK-DZGCQCFKSA-N 0 0 347.367 2.038 10 10 EECERN O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293516276 464409444 /nfs/dbraw/zinc/40/94/44/464409444.db2.gz COAOGHRABAXASN-LLVKDONJSA-N 0 0 327.787 2.221 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)[C@@H]2CCO[C@H]2C)cc1 ZINC000190013032 464585813 /nfs/dbraw/zinc/58/58/13/464585813.db2.gz DVRLFBVYKCUZCD-XJKSGUPXSA-N 0 0 326.462 2.130 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1O ZINC000175652282 464594961 /nfs/dbraw/zinc/59/49/61/464594961.db2.gz GVLBMPBVYQJUEF-MRXNPFEDSA-N 0 0 347.390 2.140 10 10 EECERN COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000182595609 464690397 /nfs/dbraw/zinc/69/03/97/464690397.db2.gz QRPWMGHDGCMDIM-CYBMUJFWSA-N 0 0 342.395 2.424 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000276040292 464796306 /nfs/dbraw/zinc/79/63/06/464796306.db2.gz NDWJJTSUZDQGKQ-WMLDXEAASA-N 0 0 340.489 2.470 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177322900 464986790 /nfs/dbraw/zinc/98/67/90/464986790.db2.gz PECMNWBGKCPQEF-MRXNPFEDSA-N 0 0 342.447 2.459 10 10 EECERN CC1CCN(c2ccc(CNc3cncc(C(N)=O)n3)cc2)CC1 ZINC000301497132 465974030 /nfs/dbraw/zinc/97/40/30/465974030.db2.gz CRSNYVDZJHFMMW-UHFFFAOYSA-N 0 0 325.416 2.424 10 10 EECERN Cc1ccc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c(O)c1O ZINC000378570455 467343936 /nfs/dbraw/zinc/34/39/36/467343936.db2.gz JTRPHAOJFQPSBX-ZDUSSCGKSA-N 0 0 329.400 2.471 10 10 EECERN COc1ccccc1N1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000193132033 534145107 /nfs/dbraw/zinc/14/51/07/534145107.db2.gz KEKXMNOWBZEPMF-GFCCVEGCSA-N 0 0 328.368 2.115 10 10 EECERN Cc1ncc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)s1 ZINC000111165120 534736932 /nfs/dbraw/zinc/73/69/32/534736932.db2.gz MJWALDMLMMZFMU-UHFFFAOYSA-N 0 0 347.440 2.204 10 10 EECERN CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(N)=O ZINC000708155627 568417137 /nfs/dbraw/zinc/41/71/37/568417137.db2.gz DBLNQWMYPNAKPF-JTQLQIEISA-N 0 0 335.629 2.408 10 10 EECERN Cn1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1=O ZINC000729527401 576662370 /nfs/dbraw/zinc/66/23/70/576662370.db2.gz MODUOQBIFNTJIE-UHFFFAOYSA-N 0 0 325.412 2.306 10 10 EECERN O=C(NCc1ccccc1O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000734068110 577275829 /nfs/dbraw/zinc/27/58/29/577275829.db2.gz CMBLVCWSMLBGEV-MRXNPFEDSA-N 0 0 339.395 2.387 10 10 EECERN Oc1c(Br)cccc1CNC(=S)NC[C@H]1CCCO1 ZINC000765992109 577510888 /nfs/dbraw/zinc/51/08/88/577510888.db2.gz GOECTBFHPVUKDL-SNVBAGLBSA-N 0 0 345.262 2.298 10 10 EECERN C[C@H](NC(=O)[C@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000766483210 577520356 /nfs/dbraw/zinc/52/03/56/577520356.db2.gz DUUZNRAGCGGKCD-MPGHIAIKSA-N 0 0 332.444 2.373 10 10 EECERN Cc1nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(N(C)C)n1 ZINC000768522349 577557671 /nfs/dbraw/zinc/55/76/71/577557671.db2.gz LYEZJPPUEGGYNW-CYBMUJFWSA-N 0 0 342.447 2.256 10 10 EECERN COc1cccc(CNC(=O)Nc2cnn(C)c2C(F)F)c1O ZINC000760010017 577655838 /nfs/dbraw/zinc/65/58/38/577655838.db2.gz GDGQPVHOYSZWOE-UHFFFAOYSA-N 0 0 326.303 2.394 10 10 EECERN CC=CC[C@@H]1NC(=O)N([C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000761163772 577678226 /nfs/dbraw/zinc/67/82/26/577678226.db2.gz PSUUQQJOYUDSCR-UIRUKZSUSA-N 0 0 343.427 2.471 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000757071248 577856047 /nfs/dbraw/zinc/85/60/47/577856047.db2.gz GETFLDUCKSPCOB-ZDUSSCGKSA-N 0 0 343.431 2.448 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@H](O)C3CCOCC3)cc2)CC1 ZINC000746237118 577924493 /nfs/dbraw/zinc/92/44/93/577924493.db2.gz IZBRQEJLERLQDA-LJQANCHMSA-N 0 0 346.471 2.327 10 10 EECERN CCN(CCO)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000746455235 577927984 /nfs/dbraw/zinc/92/79/84/577927984.db2.gz OFHFDBFGDWBBKC-UHFFFAOYSA-N 0 0 344.411 2.320 10 10 EECERN O=C(NCc1ccccc1O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000748346602 577959801 /nfs/dbraw/zinc/95/98/01/577959801.db2.gz PBUMWPUKMJYQRO-CYBMUJFWSA-N 0 0 346.333 2.340 10 10 EECERN CCOC(=O)c1csc(CCNC(=O)C2=CC(=O)CS2)n1 ZINC000788008752 675632722 /nfs/dbraw/zinc/63/27/22/675632722.db2.gz OJCOJYFPKXKMBZ-UHFFFAOYSA-N 0 0 326.399 2.059 10 10 EECERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)Cc1ccccc1O ZINC000255380064 676761262 /nfs/dbraw/zinc/76/12/62/676761262.db2.gz FJSTWUIHITWPSF-ZDUSSCGKSA-N 0 0 328.416 2.052 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000176342018 677837571 /nfs/dbraw/zinc/83/75/71/677837571.db2.gz XUHCATUWRTUQIT-QGZVFWFLSA-N 0 0 327.432 2.323 10 10 EECERN COC(=O)[C@H]1CN(Cc2cc(OC)ccc2O)c2ccc(F)cc2O1 ZINC000895140595 684096285 /nfs/dbraw/zinc/09/62/85/684096285.db2.gz UTBMVOYOTJBAKT-QGZVFWFLSA-N 0 0 347.342 2.481 10 10 EECERN COC(=O)c1c(CN(C)Cc2nc(C)no2)c2cc(F)ccc2n1C ZINC000895189982 684261343 /nfs/dbraw/zinc/26/13/43/684261343.db2.gz HCMXWLVSMWISJW-UHFFFAOYSA-N 0 0 346.362 2.427 10 10 EECERN CNc1ncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000179176550 690942000 /nfs/dbraw/zinc/94/20/00/690942000.db2.gz ZKPJQQKYSCLROA-UHFFFAOYSA-N 0 0 332.429 2.156 10 10 EECERN CN1CCn2nc(NC(=O)c3cc4cc(O)c(O)cc4s3)cc2C1 ZINC000899183276 693644685 /nfs/dbraw/zinc/64/46/85/693644685.db2.gz HVCDPQAUIVONIH-UHFFFAOYSA-N 0 0 344.396 2.207 10 10 EECERN Nc1ccc(CCNC(=O)N2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000841958051 1188209467 /nfs/dbraw/zinc/20/94/67/1188209467.db2.gz WMGINEKBUCWHBZ-UHFFFAOYSA-N 0 0 339.395 2.394 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871908220 1197965979 /nfs/dbraw/zinc/96/59/79/1197965979.db2.gz GGSYUVDVCVZKIB-NOLJZWGESA-N 0 0 330.384 2.114 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1nnc(C2CC2)o1 ZINC000865995115 1198447801 /nfs/dbraw/zinc/44/78/01/1198447801.db2.gz VFMMSZUIDLYUNF-UHFFFAOYSA-N 0 0 338.161 2.345 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000873862604 1198722956 /nfs/dbraw/zinc/72/29/56/1198722956.db2.gz UKAKDADTTVSFKS-IAGOWNOFSA-N 0 0 340.427 2.008 10 10 EECERN CC(C)[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCO1 ZINC000814968695 1199813884 /nfs/dbraw/zinc/81/38/84/1199813884.db2.gz BHVIENXTKFQBBN-HNNXBMFYSA-N 0 0 335.360 2.177 10 10 EECERN Cc1ncc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000878780067 1200672172 /nfs/dbraw/zinc/67/21/72/1200672172.db2.gz DYOQNWNZLZPTJM-OAHLLOKOSA-N 0 0 330.384 2.439 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2c(OC)ccnc2OC)c1 ZINC000866765088 1201600783 /nfs/dbraw/zinc/60/07/83/1201600783.db2.gz RGLIZNVEKAXWFB-SNVBAGLBSA-N 0 0 332.356 2.304 10 10 EECERN Cc1nn(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1C(F)F ZINC000867836224 1201690839 /nfs/dbraw/zinc/69/08/39/1201690839.db2.gz JZFOZCBJQWUYJN-QMMMGPOBSA-N 0 0 345.371 2.411 10 10 EECERN Cc1cc(C(=O)NCC[C@@H]2CC(=O)N(C)C2)c(C)n1-c1ccccn1 ZINC000927753794 1206298098 /nfs/dbraw/zinc/29/80/98/1206298098.db2.gz HHQBBECBYWLSMU-OAHLLOKOSA-N 0 0 340.427 2.087 10 10 EECERN COc1ccc2c(n1)N(C)CCN2C(=O)/C=C/c1cnc(C)s1 ZINC000928395760 1206378546 /nfs/dbraw/zinc/37/85/46/1206378546.db2.gz OUECYYKXSBFCFF-QPJJXVBHSA-N 0 0 330.413 2.351 10 10 EECERN CCN(CC(=O)N1CCOC(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000929898246 1206515027 /nfs/dbraw/zinc/51/50/27/1206515027.db2.gz RUWDRQBHPHTBMB-UHFFFAOYSA-N 0 0 336.432 2.168 10 10 EECERN COc1cc(C)c(/C=C2\SC(N3CCOCC3)=NC2=O)c(C)n1 ZINC000781544285 1206614168 /nfs/dbraw/zinc/61/41/68/1206614168.db2.gz OLZYGBITTSZARZ-LCYFTJDESA-N 0 0 333.413 2.010 10 10 EECERN Cc1cc(Br)c(O)c([C@H]2NC(=O)[C@@H]3CSCCN32)c1 ZINC000781558792 1208019890 /nfs/dbraw/zinc/01/98/90/1208019890.db2.gz ZQQFJYGVALMACC-JQWIXIFHSA-N 0 0 343.246 2.009 10 10 EECERN COC[C@@H]1CCN(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000800901265 1234775482 /nfs/dbraw/zinc/77/54/82/1234775482.db2.gz QFCLZMVTWHNCOR-MRXNPFEDSA-N 0 0 347.459 2.296 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCSC[C@@H]1CCO ZINC000901131946 1235262406 /nfs/dbraw/zinc/26/24/06/1235262406.db2.gz DPVDGIZXQYUGFK-JTQLQIEISA-N 0 0 339.438 2.253 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CC=CCC2)cc1F ZINC000803661910 1241197259 /nfs/dbraw/zinc/19/72/59/1241197259.db2.gz OFPMTMUJYPAEQM-CQSZACIVSA-N 0 0 347.434 2.323 10 10 EECERN CO[C@@]1(CO)CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000826952111 1248225269 /nfs/dbraw/zinc/22/52/69/1248225269.db2.gz GRAGJDBZXPOYJT-AWEZNQCLSA-N 0 0 330.222 2.128 10 10 EECERN C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CS1(=O)=O ZINC000850367772 1277202518 /nfs/dbraw/zinc/20/25/18/1277202518.db2.gz CZELSULMFKPACK-KCJUWKMLSA-N 0 0 348.808 2.009 10 10 EECERN C[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000851688385 1277718003 /nfs/dbraw/zinc/71/80/03/1277718003.db2.gz YSHDJZRVALAWSA-CQSZACIVSA-N 0 0 331.460 2.260 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Cc2cnn3ccccc23)c1 ZINC001545684285 1290519615 /nfs/dbraw/zinc/51/96/15/1290519615.db2.gz QSSJQNMTWMBZOC-LBPRGKRZSA-N 0 0 325.368 2.468 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000852138637 1292008860 /nfs/dbraw/zinc/00/88/60/1292008860.db2.gz QGLKWZBRJFEABH-SJORKVTESA-N 0 0 327.428 2.241 10 10 EECERN COCC[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852380860 1292102597 /nfs/dbraw/zinc/10/25/97/1292102597.db2.gz SGKXUBOVUMMXDW-GJZGRUSLSA-N 0 0 335.448 2.246 10 10 EECERN COc1ccc(CNC(=O)NCC2(CC(N)=O)CCCCC2)c(O)c1 ZINC000852690561 1292164676 /nfs/dbraw/zinc/16/46/76/1292164676.db2.gz JETOQOXPZQBMFL-UHFFFAOYSA-N 0 0 349.431 2.026 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000853858537 1292492929 /nfs/dbraw/zinc/49/29/29/1292492929.db2.gz OCJWYFUYZVJDNN-UECWQGKISA-N 0 0 332.356 2.254 10 10 EECERN COc1c(C)ncnc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853958301 1292554688 /nfs/dbraw/zinc/55/46/88/1292554688.db2.gz WFCNDNKEVAWRNZ-UHFFFAOYSA-N 0 0 328.416 2.367 10 10 EECERN COC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296693 1292708178 /nfs/dbraw/zinc/70/81/78/1292708178.db2.gz GCQCDYGUVJZMKY-WBVHZDCISA-N 0 0 347.459 2.484 10 10 EECERN CC[C@H](C[C@H](C)CO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299923 1292711040 /nfs/dbraw/zinc/71/10/40/1292711040.db2.gz MGPUIEXUCWBCMT-ARFHVFGLSA-N 0 0 349.475 2.370 10 10 EECERN Cc1cc(CC(=O)N[C@H]2C[C@H](C)OC2=O)c(C)n1-c1ccccc1 ZINC000854469674 1292796239 /nfs/dbraw/zinc/79/62/39/1292796239.db2.gz JZSUKMGUHDVZMI-GUYCJALGSA-N 0 0 326.396 2.457 10 10 EECERN CNc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000855223224 1293116879 /nfs/dbraw/zinc/11/68/79/1293116879.db2.gz CZLDVDMBLPWJMY-CQSZACIVSA-N 0 0 326.400 2.141 10 10 EECERN CC(C)(C)OC(=O)C1(NC(=O)C2=CC(=O)CS2)CCOCC1 ZINC000856393902 1293510296 /nfs/dbraw/zinc/51/02/96/1293510296.db2.gz WFSAXUIOCIBWNL-UHFFFAOYSA-N 0 0 327.402 2.074 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000856779987 1293628701 /nfs/dbraw/zinc/62/87/01/1293628701.db2.gz CKWBTZQUMCWDRM-JRCXTIHVSA-N 0 0 334.372 2.236 10 10 EECERN Cc1ccc(O[C@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)nc1 ZINC000858081076 1294000141 /nfs/dbraw/zinc/00/01/41/1294000141.db2.gz DPBLITCMMDWRAR-NSHDSACASA-N 0 0 332.331 2.234 10 10 EECERN O=C(NCc1ccccc1O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000858675945 1294188609 /nfs/dbraw/zinc/18/86/09/1294188609.db2.gz MEAAJJLMPDPYAM-GFCCVEGCSA-N 0 0 328.294 2.192 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCC(C)(C)C(=O)N2CCCC2)c1 ZINC000858900753 1294256444 /nfs/dbraw/zinc/25/64/44/1294256444.db2.gz ZIOHKVSAICQFRE-UHFFFAOYSA-N 0 0 333.432 2.148 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000858987730 1294286283 /nfs/dbraw/zinc/28/62/83/1294286283.db2.gz CELAYDCXDWASDK-OAHLLOKOSA-N 0 0 326.462 2.048 10 10 EECERN Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1ccc2cccnc2c1O ZINC000862026628 1295660314 /nfs/dbraw/zinc/66/03/14/1295660314.db2.gz VLSZYXNRNQEEFK-AWEZNQCLSA-N 0 0 336.395 2.410 10 10 EECERN Cc1cc(C(=O)CN(C)CCCO)c(C)n1-c1ccc2c(c1)OCO2 ZINC000799364292 1305237597 /nfs/dbraw/zinc/23/75/97/1305237597.db2.gz CQNDXIBXPNUUDL-UHFFFAOYSA-N 0 0 344.411 2.320 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4CC[C@@H](C3)S4)cc2N1 ZINC001118810239 1308944885 /nfs/dbraw/zinc/94/48/85/1308944885.db2.gz GSNMHRPTSDHONA-ZJUUUORDSA-N 0 0 335.385 2.400 10 10 EECERN CCN(CC(OC)OC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001123905647 1310756062 /nfs/dbraw/zinc/75/60/62/1310756062.db2.gz RKXNBGSEWZMCRF-UHFFFAOYSA-N 0 0 325.386 2.394 10 10 EECERN COC(=O)[C@@H]1CSCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000839675151 1315230797 /nfs/dbraw/zinc/23/07/97/1315230797.db2.gz CHGQVYRLLGZCBI-LBPRGKRZSA-N 0 0 341.404 2.072 10 10 EECERN COCc1cccc(S(=O)(=O)Nc2ccc(O)cc2COC)c1 ZINC000840915133 1315434493 /nfs/dbraw/zinc/43/44/93/1315434493.db2.gz KQLJRDKFFNJBRZ-UHFFFAOYSA-N 0 0 337.397 2.486 10 10 EECERN C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000841064081 1315466312 /nfs/dbraw/zinc/46/63/12/1315466312.db2.gz PAJWZFUFBOAANI-BWACUDIHSA-N 0 0 339.395 2.277 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001153798972 1316885696 /nfs/dbraw/zinc/88/56/96/1316885696.db2.gz ZFKDFMFMPWCWIL-UONOGXRCSA-N 0 0 328.324 2.426 10 10 EECERN COC(=O)[C@H]1CN(C(=O)/C=C/c2cccnc2C)c2ccccc2O1 ZINC001264349808 1322671697 /nfs/dbraw/zinc/67/16/97/1322671697.db2.gz DEIHDIVPKWDARO-OAGJVSPASA-N 0 0 338.363 2.370 10 10 EECERN CC(C)=CC(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298626155 1330106068 /nfs/dbraw/zinc/10/60/68/1330106068.db2.gz RLTHFCPOTADVPN-LLVKDONJSA-N 0 0 331.376 2.050 10 10 EECERN Cc1ccc(C(=O)N(C)[C@@H](c2nc[nH]n2)c2ccccc2)c(O)c1O ZINC001299112601 1330162856 /nfs/dbraw/zinc/16/28/56/1330162856.db2.gz FJASGIMOKWTOQQ-CQSZACIVSA-N 0 0 338.367 2.386 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cc(NCc2ccccc2)ccn1 ZINC001303195587 1331347983 /nfs/dbraw/zinc/34/79/83/1331347983.db2.gz WUSBJGUTKBUOHM-UHFFFAOYSA-N 0 0 349.390 2.457 10 10 EECERN COc1ccc(N2CCC([NH2+]C[C@]3(C(=O)[O-])CCCOC3)CC2)cc1 ZINC000901946143 1331528621 /nfs/dbraw/zinc/52/86/21/1331528621.db2.gz UUMSMMIDNYKQFO-LJQANCHMSA-N 0 0 348.443 2.135 10 10 EECERN COC1(C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])CCC1 ZINC001326704683 1334146480 /nfs/dbraw/zinc/14/64/80/1334146480.db2.gz OYWJMXFGPDZSRR-QGZVFWFLSA-N 0 0 348.443 2.025 10 10 EECERN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H](C)C1O ZINC001328553851 1334478702 /nfs/dbraw/zinc/47/87/02/1334478702.db2.gz VWGPYYABUAUWIS-KBPBESRZSA-N 0 0 331.460 2.227 10 10 EECERN COc1ccc(COCC(=O)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC001328740733 1334512263 /nfs/dbraw/zinc/51/22/63/1334512263.db2.gz MGIGSVKARUOGOV-UHFFFAOYSA-N 0 0 347.390 2.128 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001331700841 1335060263 /nfs/dbraw/zinc/06/02/63/1335060263.db2.gz OJTYSJHGKWMPOV-SECBINFHSA-N 0 0 343.351 2.402 10 10 EECERN O=C(NCc1c(O)cccc1F)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC001333422282 1336042955 /nfs/dbraw/zinc/04/29/55/1336042955.db2.gz IIYIBRINAFXDHL-LBPRGKRZSA-N 0 0 334.351 2.229 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@]1(C)CC1(F)F ZINC001333855669 1336151945 /nfs/dbraw/zinc/15/19/45/1336151945.db2.gz FGACWNWAKYUXRV-MRXNPFEDSA-N 0 0 340.370 2.292 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCC1(C)CCC1 ZINC001345332779 1337437900 /nfs/dbraw/zinc/43/79/00/1337437900.db2.gz UQZXRHFPLPOHAA-HNNXBMFYSA-N 0 0 345.487 2.415 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@](C)(C(=O)[O-])C2)cc1F ZINC001350668651 1337735161 /nfs/dbraw/zinc/73/51/61/1337735161.db2.gz TYDGQECVHAJLPN-ZBEGNZNMSA-N 0 0 328.359 2.143 10 10 EECERN COc1cccc(CNS(=O)(=O)C[C@H](C)CC(F)(F)F)c1O ZINC000849375946 1339155362 /nfs/dbraw/zinc/15/53/62/1339155362.db2.gz ICKGWDYGHXKXIO-SECBINFHSA-N 0 0 341.351 2.409 10 10 EECERN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccsc3)C2)cc1 ZINC000849417712 1339156235 /nfs/dbraw/zinc/15/62/35/1339156235.db2.gz YNXCQSHEFDDDRF-GFCCVEGCSA-N 0 0 338.454 2.314 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC001616487793 1352329340 /nfs/dbraw/zinc/32/93/40/1352329340.db2.gz HULKQBNLWNUGRH-ZIAGYGMSSA-N 0 0 337.441 2.153 10 10 EECERN COC[C@H]1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001555358321 1342408865 /nfs/dbraw/zinc/40/88/65/1342408865.db2.gz IYRXBDSNSNYZIF-INIZCTEOSA-N 0 0 343.475 2.482 10 10 EECERN CCN(C)C(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001556521027 1342430047 /nfs/dbraw/zinc/43/00/47/1342430047.db2.gz NQUXJRCVXRTDLJ-UHFFFAOYSA-N 0 0 328.368 2.371 10 10 EECERN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1nnnn1C1CC1 ZINC001557994355 1342461810 /nfs/dbraw/zinc/46/18/10/1342461810.db2.gz UQDLUHIEJSSRRY-ZETCQYMHSA-N 0 0 345.384 2.125 10 10 EECERN CCOC(=O)c1c(C)[nH]c(C(=O)NCc2c(O)cccc2O)c1C ZINC001597569332 1349928299 /nfs/dbraw/zinc/92/82/99/1349928299.db2.gz OJCVHZYBEDJBCC-UHFFFAOYSA-N 0 0 332.356 2.149 10 10 EECERN NC(=O)c1cccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001623969084 1352410374 /nfs/dbraw/zinc/41/03/74/1352410374.db2.gz VSLDWTZURVBKMI-UHFFFAOYSA-N 0 0 342.376 2.341 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC[C@H]1C(=O)OC ZINC001627028836 1352480807 /nfs/dbraw/zinc/48/08/07/1352480807.db2.gz PWLWKTBBNMOMQR-QWHCGFSZSA-N 0 0 340.416 2.474 10 10 EECERN COc1ccccc1[C@H](O)C(=O)NCc1ccc2cccnc2c1O ZINC001627073434 1352482527 /nfs/dbraw/zinc/48/25/27/1352482527.db2.gz NHHQLXABAYEJRE-SFHVURJKSA-N 0 0 338.363 2.299 10 10 EECERN O=C(C[C@H]1C(=O)Nc2c1cccc2F)NCCc1ccc(O)c(O)c1 ZINC001630335553 1352568258 /nfs/dbraw/zinc/56/82/58/1352568258.db2.gz QUDDMLOANNOXSW-GFCCVEGCSA-N 0 0 344.342 2.022 10 10 EECERN CCCc1c(C(=O)NCc2ccc(O)cc2O)[nH]c(C)c1C(=O)OC ZINC001638353023 1352687644 /nfs/dbraw/zinc/68/76/44/1352687644.db2.gz ZIKNBGAHRDJZOR-UHFFFAOYSA-N 0 0 346.383 2.403 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)C(=O)NCCO2 ZINC001639968516 1352703416 /nfs/dbraw/zinc/70/34/16/1352703416.db2.gz ISKQGOZQFDIVQC-UHFFFAOYSA-N 0 0 346.770 2.098 10 10 EECERN O=C(NCc1c(O)cccc1O)c1noc(-c2ccc(F)cc2)n1 ZINC001645362786 1352776975 /nfs/dbraw/zinc/77/69/75/1352776975.db2.gz CKMXRWKOQWFCJJ-UHFFFAOYSA-N 0 0 329.287 2.217 10 10 EECERN CCc1noc([C@@H]2CC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2)n1 ZINC001648264562 1353422212 /nfs/dbraw/zinc/42/22/12/1353422212.db2.gz UKPMIYUBBXHRFD-NEPJUHHUSA-N 0 0 331.372 2.038 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001651222469 1354045032 /nfs/dbraw/zinc/04/50/32/1354045032.db2.gz HBZJLODWYKVHTK-INIZCTEOSA-N 0 0 330.315 2.046 10 10 EECERN COc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccccc1 ZINC001652626507 1354097953 /nfs/dbraw/zinc/09/79/53/1354097953.db2.gz WYXYIRXCSIMETN-UHFFFAOYSA-N 0 0 339.351 2.222 10 10 EECERN COc1cc(-c2noc(CN[C@H](C)c3ccccc3O)n2)ncn1 ZINC001655349269 1354170987 /nfs/dbraw/zinc/17/09/87/1354170987.db2.gz FXSRMNHQWJWGSV-SNVBAGLBSA-N 0 0 327.344 2.092 10 10 EECERN CC(C)c1noc(CCCNC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000588405554 759563002 /nfs/dbraw/zinc/56/30/02/759563002.db2.gz HFGKVWVJNDOXGG-VURMDHGXSA-N 0 0 331.372 2.366 10 10 EECERN C[C@H](NS(=O)(=O)Cc1noc2c1CCCC2)c1ccccc1O ZINC000919117014 769608455 /nfs/dbraw/zinc/60/84/55/769608455.db2.gz BXGMIWRIYCIAIB-NSHDSACASA-N 0 0 336.413 2.440 10 10 EECERN COC(=O)c1nc(C(=O)NCc2ccc(N3CCCC3)cc2)cs1 ZINC000906114006 783715131 /nfs/dbraw/zinc/71/51/31/783715131.db2.gz YSKIJKMXLCLMDM-UHFFFAOYSA-N 0 0 345.424 2.460 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)/C=C/c3ccncn3)C2)cc1 ZINC000819587380 785595751 /nfs/dbraw/zinc/59/57/51/785595751.db2.gz YOJOMBOCFSCBNV-HYNJPGQWSA-N 0 0 338.411 2.141 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCc1nc(COC)n[nH]1 ZINC000821161074 786639229 /nfs/dbraw/zinc/63/92/29/786639229.db2.gz VFXDMVLMXAOLPK-UHFFFAOYSA-N 0 0 347.419 2.169 10 10 EECERN CCN(CC)c1ccc(CNC(=O)CN2CCN(C3CC3)C2=O)cc1 ZINC000822607258 787284654 /nfs/dbraw/zinc/28/46/54/787284654.db2.gz GBFZWENREUDALW-UHFFFAOYSA-N 0 0 344.459 2.049 10 10 EECERN COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)O1 ZINC000824213100 788086773 /nfs/dbraw/zinc/08/67/73/788086773.db2.gz IBSRJWRZJOMDCV-GXTWGEPZSA-N 0 0 341.791 2.163 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N(C[C@H](C)O)C(C)C)C2)cc1 ZINC000824685290 788273929 /nfs/dbraw/zinc/27/39/29/788273929.db2.gz CNURQERDVRGYLY-JKSUJKDBSA-N 0 0 349.475 2.322 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cn(CC3CC3)nn2)cc1 ZINC000825327620 788573049 /nfs/dbraw/zinc/57/30/49/788573049.db2.gz UCIHMVZOGMXFST-UHFFFAOYSA-N 0 0 327.432 2.464 10 10 EECERN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844422821 789085188 /nfs/dbraw/zinc/08/51/88/789085188.db2.gz QORTWIIRKFLOQA-INIZCTEOSA-N 0 0 345.487 2.354 10 10 EECERN O=C(NCc1cc(Br)ccc1O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000845440902 789778523 /nfs/dbraw/zinc/77/85/23/789778523.db2.gz ORSUSAOXJJABEZ-WZRBSPASSA-N 0 0 341.205 2.274 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@]1(CO)CCc2ccccc21 ZINC000846345461 790140749 /nfs/dbraw/zinc/14/07/49/790140749.db2.gz XHDBAFKBLPDJND-LQOHYYORSA-N 0 0 339.391 2.104 10 10 EECERN NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001148396951 792385217 /nfs/dbraw/zinc/38/52/17/792385217.db2.gz DYOUKKMDTWXPFP-UWVGGRQHSA-N 0 0 334.397 2.086 10 10 EECERN CN(C)c1ccc(CNC(=O)NCC[C@H](N(C)C)C(F)(F)F)cc1 ZINC000913926888 794590122 /nfs/dbraw/zinc/59/01/22/794590122.db2.gz OZLMHPWPOOYHHK-AWEZNQCLSA-N 0 0 346.397 2.434 10 10 EECERN CO[C@]1(C(F)(F)F)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000916146314 797528050 /nfs/dbraw/zinc/52/80/50/797528050.db2.gz UNWLNTPERKTOND-LYKUJDHUSA-N 0 0 331.290 2.291 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2C[C@H](O)CC(F)(F)C2)cc1 ZINC000786711466 806848128 /nfs/dbraw/zinc/84/81/28/806848128.db2.gz ZACKHRBGXKLEBY-OAHLLOKOSA-N 0 0 341.402 2.444 10 10 EECERN O=C(c1c(-c2cncnc2)cc(=O)n2c1CCCC2)N1CCCCC1 ZINC000581799665 803097685 /nfs/dbraw/zinc/09/76/85/803097685.db2.gz GSVBUAQQJSXEAN-UHFFFAOYSA-N 0 0 338.411 2.268 10 10 EECERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000804370670 810820547 /nfs/dbraw/zinc/82/05/47/810820547.db2.gz SVBQPTDXFAHZDY-GSDDBDPOSA-N 0 0 331.290 2.289 10 10 EECERN CCc1nc(C)ncc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001131029955 812301259 /nfs/dbraw/zinc/30/12/59/812301259.db2.gz IPOHOJFPTRGXQE-CQSZACIVSA-N 0 0 340.427 2.365 10 10 EECERN COC(=O)Nc1cc(C(=O)OCC(=O)C(C)=O)cc(C(F)(F)F)c1 ZINC000808527266 812695024 /nfs/dbraw/zinc/69/50/24/812695024.db2.gz BUVDBJBSAGJPHI-UHFFFAOYSA-N 0 0 347.245 2.199 10 10 EECERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(O)c(O)c1 ZINC001445904860 1091830038 /nfs/dbraw/zinc/83/00/38/1091830038.db2.gz ZUZSGLKXURQODW-UHFFFAOYSA-N 0 0 344.323 2.285 10 10 EECERN CN(C)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccco1 ZINC001440560131 1093829404 /nfs/dbraw/zinc/82/94/04/1093829404.db2.gz URPGRGNOQNOUOA-CYBMUJFWSA-N 0 0 329.360 2.475 10 10 EECERN COc1ccc2[nH]cc(CC(=O)NCc3ccc(O)cc3O)c2c1 ZINC001451765857 1097909782 /nfs/dbraw/zinc/90/97/82/1097909782.db2.gz IGXXLJDSJUCWLR-UHFFFAOYSA-N 0 0 326.352 2.447 10 10 EECERN CN(C)c1nc(Cl)c(C(=O)NCc2ccc(O)cc2O)s1 ZINC001451765884 1097910253 /nfs/dbraw/zinc/91/02/53/1097910253.db2.gz JFMDDGYJIXQMEJ-UHFFFAOYSA-N 0 0 327.793 2.204 10 10 EECERN CCOC(=O)COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001446758634 1101367562 /nfs/dbraw/zinc/36/75/62/1101367562.db2.gz OHMPQQIFMFQUES-UHFFFAOYSA-N 0 0 345.351 2.221 10 10 EECERN Cc1ccc(C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)c(O)c1O ZINC001447349832 1102500020 /nfs/dbraw/zinc/50/00/20/1102500020.db2.gz RAZFFAPBASAQMW-UHFFFAOYSA-N 0 0 329.356 2.223 10 10 EECERN COC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCOCC1 ZINC001453322892 1106123680 /nfs/dbraw/zinc/12/36/80/1106123680.db2.gz UPKKCCGEVVVRNH-CQSZACIVSA-N 0 0 334.376 2.020 10 10 EECERN O=C(CCc1nc2ccccc2oc1=O)N1Cc2cccc(O)c2C1 ZINC001455037427 1108129625 /nfs/dbraw/zinc/12/96/25/1108129625.db2.gz RGWXOTXYJFXVJW-UHFFFAOYSA-N 0 0 336.347 2.369 10 10 EECERN COCCOC(=O)C[C@@H](CNC(=O)C1=CC(=O)CS1)CC(C)C ZINC001469534316 1110492364 /nfs/dbraw/zinc/49/23/64/1110492364.db2.gz JIVQJUMIHRHELH-LBPRGKRZSA-N 0 0 343.445 2.426 10 10 EECERN Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)c2ccccc2O)no1 ZINC001471195550 1110518993 /nfs/dbraw/zinc/51/89/93/1110518993.db2.gz ZNYIAQHIBAASMT-NSHDSACASA-N 0 0 349.412 2.238 10 10 EECERN COCCCOc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001472063133 1110540774 /nfs/dbraw/zinc/54/07/74/1110540774.db2.gz FFNMZXMTICZDMZ-UHFFFAOYSA-N 0 0 331.368 2.443 10 10 EECERN CC(=O)N1CCC[C@@H](C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001472086412 1110541890 /nfs/dbraw/zinc/54/18/90/1110541890.db2.gz YAWYCJLGFSYDOA-OAHLLOKOSA-N 0 0 326.396 2.420 10 10 EECERN O=C(NCC[C@@H]1COc2ccccc2O1)c1c(F)ccc(O)c1O ZINC001472580367 1110559605 /nfs/dbraw/zinc/55/96/05/1110559605.db2.gz WGXCVGNGDZGQHJ-SNVBAGLBSA-N 0 0 333.315 2.197 10 10 EECERN O=C(NCc1nc(C(F)(F)F)n[nH]1)NCc1cccc(Cl)c1O ZINC001478496378 1110654877 /nfs/dbraw/zinc/65/48/77/1110654877.db2.gz FBIOFFXUWAUNIU-UHFFFAOYSA-N 0 0 349.700 2.182 10 10 EECERN COCC1=CC(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)=S=C1 ZINC001534322031 1123314971 /nfs/dbraw/zinc/31/49/71/1123314971.db2.gz JHOYFYUQAZNPLG-UHFFFAOYSA-N 0 0 343.364 2.376 10 10 EECERN CC(C)C[C@H](C(N)=O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001540567494 1124086814 /nfs/dbraw/zinc/08/68/14/1124086814.db2.gz OBGJZNCGGJGQHE-QGZVFWFLSA-N 0 0 331.460 2.393 10 10 EECERN CCNC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 ZINC001543286955 1124126733 /nfs/dbraw/zinc/12/67/33/1124126733.db2.gz YMRQUZYGWLNYGS-UHFFFAOYSA-N 0 0 328.368 2.337 10 10 EECERN CC(C)(C)OC(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001543898228 1124136103 /nfs/dbraw/zinc/13/61/03/1124136103.db2.gz STHHFDILNRXRJH-UHFFFAOYSA-N 0 0 335.400 2.221 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C(N)=O)c2ccccn2)cc1 ZINC001544228053 1124144641 /nfs/dbraw/zinc/14/46/41/1124144641.db2.gz WFHKMORMGYIVGF-GOSISDBHSA-N 0 0 348.406 2.446 10 10 EECERN CN(Cc1ccccc1O)C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001545503174 1124193821 /nfs/dbraw/zinc/19/38/21/1124193821.db2.gz PWVUCRBFFXERNE-VQHVLOKHSA-N 0 0 335.381 2.061 10 10 EECERN CN(CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)Cc1ccon1 ZINC001568506472 1124562256 /nfs/dbraw/zinc/56/22/56/1124562256.db2.gz LCAOSSVZADWQSX-UHFFFAOYSA-N 0 0 344.375 2.041 10 10 EECERN C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)c(F)c1[O-] ZINC000191204068 289982454 /nfs/dbraw/zinc/98/24/54/289982454.db2.gz JCOVVNRZXKQNBK-JTQLQIEISA-N 0 0 331.326 2.497 10 10 EECERN CCOc1cccc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1O ZINC000121283284 463110655 /nfs/dbraw/zinc/11/06/55/463110655.db2.gz NMWDIRAXVTYEQW-ZDUSSCGKSA-N 0 0 346.431 2.361 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000056392505 463397944 /nfs/dbraw/zinc/39/79/44/463397944.db2.gz QMCMSZRZXITLSB-MAUKXSAKSA-N 0 0 347.459 2.484 10 10 EECERN Nc1ccc(CCNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 ZINC000152508263 463698930 /nfs/dbraw/zinc/69/89/30/463698930.db2.gz PPHBQHNUZHEGAQ-OAHLLOKOSA-N 0 0 327.359 2.193 10 10 EECERN CCN(CCC(=O)OC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000268439039 463744095 /nfs/dbraw/zinc/74/40/95/463744095.db2.gz GKZQZBSRPSENRI-SOFGYWHQSA-N 0 0 336.344 2.170 10 10 EECERN COc1c([O-])c(C[NH2+]CC2(CO)CC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000278833639 463997678 /nfs/dbraw/zinc/99/76/78/463997678.db2.gz ACQFKQNSRNBGTO-UHFFFAOYSA-N 0 0 336.388 2.341 10 10 EECERN COCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000293728062 464419504 /nfs/dbraw/zinc/41/95/04/464419504.db2.gz WDXVFKRZJHXRJT-SNVBAGLBSA-N 0 0 340.786 2.027 10 10 EECERN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294509043 464521122 /nfs/dbraw/zinc/52/11/22/464521122.db2.gz BYJSIHCMXJKIQV-AAEUAGOBSA-N 0 0 347.814 2.031 10 10 EECERN Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c(O)c1O ZINC000182614569 464693573 /nfs/dbraw/zinc/69/35/73/464693573.db2.gz XKWHXUIGZPMRIQ-AWEZNQCLSA-N 0 0 346.427 2.317 10 10 EECERN CCOC[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301686122 466009312 /nfs/dbraw/zinc/00/93/12/466009312.db2.gz LPIJVBDHSJBESQ-LLVKDONJSA-N 0 0 335.360 2.179 10 10 EECERN O=C(NCc1noc(-c2cccc(F)c2)n1)c1cccc(O)c1O ZINC000373591659 466860523 /nfs/dbraw/zinc/86/05/23/466860523.db2.gz GNGIVWAKAOQCAO-UHFFFAOYSA-N 0 0 329.287 2.217 10 10 EECERN O=C(OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1O)N1CCCC1 ZINC000376382671 466909066 /nfs/dbraw/zinc/90/90/66/466909066.db2.gz IIVWFCHEHBBPCD-ZDUSSCGKSA-N 0 0 348.399 2.325 10 10 EECERN O=C(c1ccnc2c1CC(=O)N2)N1C[C@@H]2CCCN2c2ccccc21 ZINC000668560100 472175053 /nfs/dbraw/zinc/17/50/53/472175053.db2.gz UMLMWJASPWSXHV-LBPRGKRZSA-N 0 0 334.379 2.205 10 10 EECERN CCOCc1nc([C@H](C)NC(=O)N(C)Cc2ccccc2O)no1 ZINC000291556040 529078184 /nfs/dbraw/zinc/07/81/84/529078184.db2.gz WFSWLOVMRZAANG-NSHDSACASA-N 0 0 334.376 2.214 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)c2ccsc2)c1 ZINC000728983062 576569040 /nfs/dbraw/zinc/56/90/40/576569040.db2.gz TUHOFVWDGPVYGL-JTQLQIEISA-N 0 0 334.397 2.070 10 10 EECERN C[C@H](NC(=O)N1CCSC[C@@H]1CCO)c1ccc(N(C)C)cc1 ZINC000776248971 577455583 /nfs/dbraw/zinc/45/55/83/577455583.db2.gz LZAVZNPMJIUXDX-BBRMVZONSA-N 0 0 337.489 2.323 10 10 EECERN CCOC[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000777695407 577484998 /nfs/dbraw/zinc/48/49/98/577484998.db2.gz MLPFSUPXUMIQKR-HNNXBMFYSA-N 0 0 349.475 2.120 10 10 EECERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000756762380 577849893 /nfs/dbraw/zinc/84/98/93/577849893.db2.gz QCDAMYSNSHBKPX-LLVKDONJSA-N 0 0 331.376 2.368 10 10 EECERN C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1[O-] ZINC000757658111 577862051 /nfs/dbraw/zinc/86/20/51/577862051.db2.gz VAIHZKNQPNODPL-IUODEOHRSA-N 0 0 346.406 2.107 10 10 EECERN C[C@H](NC(=O)Cc1ccc(N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000746411256 577927368 /nfs/dbraw/zinc/92/73/68/577927368.db2.gz TVLMKXZALYHDBH-LBPRGKRZSA-N 0 0 347.440 2.060 10 10 EECERN CCC1(CC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)COC1 ZINC000924346172 676269255 /nfs/dbraw/zinc/26/92/55/676269255.db2.gz UNIUGIJXVMWGCC-UHFFFAOYSA-N 0 0 348.443 2.071 10 10 EECERN COCCN1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC000177130717 680055039 /nfs/dbraw/zinc/05/50/39/680055039.db2.gz DFHJQHNGDIMAQD-LBPRGKRZSA-N 0 0 340.851 2.401 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CC1)OCCO2 ZINC000895623009 684667255 /nfs/dbraw/zinc/66/72/55/684667255.db2.gz NFOAROVMDVSVOL-UHFFFAOYSA-N 0 0 335.381 2.292 10 10 EECERN C[C@H](CN1CCCC1=O)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895803200 684731232 /nfs/dbraw/zinc/73/12/32/684731232.db2.gz VMIFDKGJWOPRHG-SECBINFHSA-N 0 0 334.397 2.053 10 10 EECERN O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)NC1CCCC1 ZINC000895978575 684794204 /nfs/dbraw/zinc/79/42/04/684794204.db2.gz MXKVFWYVRWVBBV-UHFFFAOYSA-N 0 0 334.397 2.101 10 10 EECERN COC(=O)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C ZINC000897520294 690830296 /nfs/dbraw/zinc/83/02/96/690830296.db2.gz DZRAJWQZIAZLKN-WPRPVWTQSA-N 0 0 335.381 2.336 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000897734861 691774363 /nfs/dbraw/zinc/77/43/63/691774363.db2.gz JSLYCHRDOMFUBP-SMDDNHRTSA-N 0 0 349.408 2.333 10 10 EECERN C/C=C(\C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486679175 1194162000 /nfs/dbraw/zinc/16/20/00/1194162000.db2.gz LZPJPHNNWBLEBS-KYRCVRLVSA-N 0 0 345.403 2.438 10 10 EECERN COC(=O)c1cc(C(=O)NCc2ccc(OC)cc2O)ccc1C ZINC001626080172 1194327741 /nfs/dbraw/zinc/32/77/41/1194327741.db2.gz ZIPUWAZNSPQEFE-UHFFFAOYSA-N 0 0 329.352 2.426 10 10 EECERN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[C@@H](C)O1 ZINC000864633675 1197855779 /nfs/dbraw/zinc/85/57/79/1197855779.db2.gz BKWQXJCERSYASW-RKVPGOIHSA-N 0 0 332.444 2.295 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)Cc2cnn3c2CCCC3)cc1 ZINC000864633306 1197856123 /nfs/dbraw/zinc/85/61/23/1197856123.db2.gz FGINXIYCJPAOHR-UHFFFAOYSA-N 0 0 326.444 2.487 10 10 EECERN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)c1O ZINC000872168888 1198068146 /nfs/dbraw/zinc/06/81/46/1198068146.db2.gz BLTMHOVEBDUOJB-RYUDHWBXSA-N 0 0 349.280 2.429 10 10 EECERN C[C@@H](NC(=O)c1nnc(C2CC2)o1)c1ccc(N2CCOCC2)cc1 ZINC000865916369 1198424224 /nfs/dbraw/zinc/42/42/24/1198424224.db2.gz ZLIPTBLFPUNXLI-GFCCVEGCSA-N 0 0 342.399 2.275 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](O)Cc1ccccc1 ZINC000813514295 1199062989 /nfs/dbraw/zinc/06/29/89/1199062989.db2.gz ZZGCAJIKORWENI-XJKSGUPXSA-N 0 0 329.396 2.139 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000869928006 1200361579 /nfs/dbraw/zinc/36/15/79/1200361579.db2.gz WRGMBGRUCODIJV-KWCYVHTRSA-N 0 0 337.169 2.036 10 10 EECERN CC(C)[C@](C)(CO)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000812014313 1200450288 /nfs/dbraw/zinc/45/02/88/1200450288.db2.gz HHJTYKWWTXPKIZ-BEFAXECRSA-N 0 0 349.475 2.290 10 10 EECERN COc1ccc(CNC(=O)NCc2c3c(nn2C)CCCC3)c(O)c1 ZINC000812927995 1201002386 /nfs/dbraw/zinc/00/23/86/1201002386.db2.gz IHOWEMYADAQAPJ-UHFFFAOYSA-N 0 0 344.415 2.013 10 10 EECERN COc1nc(N2Cc3cccc(O)c3C2)nc(N2CCCCCC2)n1 ZINC000866117183 1201438096 /nfs/dbraw/zinc/43/80/96/1201438096.db2.gz HPDZBVFIEKAOMY-UHFFFAOYSA-N 0 0 341.415 2.486 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000866227280 1201471021 /nfs/dbraw/zinc/47/10/21/1201471021.db2.gz YERDSQZTQBILAR-SCXUMTSISA-N 0 0 334.372 2.378 10 10 EECERN C[C@@H](NS(=O)(=O)c1cn(C)nc1C(C)(C)C)c1ccccc1O ZINC000867834009 1201690279 /nfs/dbraw/zinc/69/02/79/1201690279.db2.gz CHHLOGXFPILTII-LLVKDONJSA-N 0 0 337.445 2.463 10 10 EECERN COc1ccc(CNC(=O)c2nn(C3CCOCC3)cc2C)c(O)c1 ZINC000867955891 1201714457 /nfs/dbraw/zinc/71/44/57/1201714457.db2.gz ITZTUMSOUQOPRI-UHFFFAOYSA-N 0 0 345.399 2.187 10 10 EECERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@@H](C)c3ccccc3O)[C@H]2C1 ZINC000868618942 1201846578 /nfs/dbraw/zinc/84/65/78/1201846578.db2.gz ZTFRYVSXJQVSRN-CSFVBSKPSA-N 0 0 345.443 2.399 10 10 EECERN C[C@@H](NC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1ccccc1O ZINC000868784401 1201878884 /nfs/dbraw/zinc/87/88/84/1201878884.db2.gz HMGQMJGBWDFZFW-ZIAGYGMSSA-N 0 0 346.431 2.043 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c(C)n1-c1ccccn1 ZINC000133082856 1202167055 /nfs/dbraw/zinc/16/70/55/1202167055.db2.gz ZQEISKNHTPORHD-CABCVRRESA-N 0 0 340.427 2.263 10 10 EECERN Cc1[nH]nc(Br)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000929406674 1206472004 /nfs/dbraw/zinc/47/20/04/1206472004.db2.gz XCRLYSRBUPZYKD-UHFFFAOYSA-N 0 0 337.221 2.477 10 10 EECERN C[C@H](NCc1noc2c1COCC2)c1ccc(N2CCOCC2)cc1 ZINC000930209202 1206541509 /nfs/dbraw/zinc/54/15/09/1206541509.db2.gz CXMPESLFVUBMEJ-AWEZNQCLSA-N 0 0 343.427 2.435 10 10 EECERN COCCn1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)n1 ZINC000158006551 1208385944 /nfs/dbraw/zinc/38/59/44/1208385944.db2.gz MSAYRLLTWIRGMC-UHFFFAOYSA-N 0 0 339.355 2.346 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC1(C(=O)Nc2ccccc2)CC1 ZINC000779350189 1210026745 /nfs/dbraw/zinc/02/67/45/1210026745.db2.gz BGNIJPFQYXGYFO-CLFYSBASSA-N 0 0 338.363 2.399 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)c(OC)c1 ZINC000246597129 1212819011 /nfs/dbraw/zinc/81/90/11/1212819011.db2.gz GYQKMJVMICNVFN-SJORKVTESA-N 0 0 348.443 2.310 10 10 EECERN CSC[C@@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000304289061 1214624190 /nfs/dbraw/zinc/62/41/90/1214624190.db2.gz MAJFDOGEBOESGG-INIZCTEOSA-N 0 0 333.413 2.094 10 10 EECERN Cc1cn(C(C)(C)C(=O)N2CCOc3cc(N(C)C)ccc32)cn1 ZINC000900894637 1234968448 /nfs/dbraw/zinc/96/84/48/1234968448.db2.gz GJRBVIFALWFZPF-UHFFFAOYSA-N 0 0 328.416 2.418 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CCO[C@H](C(F)F)C3)ccc21 ZINC000802061438 1236791955 /nfs/dbraw/zinc/79/19/55/1236791955.db2.gz PWGZYKIGDBXIAS-HNNXBMFYSA-N 0 0 339.386 2.245 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H](OC)C1CC1 ZINC000826946220 1248181249 /nfs/dbraw/zinc/18/12/49/1248181249.db2.gz LQJWNAVGIPDHEG-KRWDZBQOSA-N 0 0 340.489 2.329 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H]1CCC1(C)C)cc2=O ZINC000850070192 1277018263 /nfs/dbraw/zinc/01/82/63/1277018263.db2.gz PVNHVVLTTWXJHZ-LBPRGKRZSA-N 0 0 347.371 2.091 10 10 EECERN CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)nc1C ZINC000850352352 1277196283 /nfs/dbraw/zinc/19/62/83/1277196283.db2.gz SSTZUMDUOHHSJP-UHFFFAOYSA-N 0 0 343.383 2.091 10 10 EECERN Cc1csc2nc(CC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cn12 ZINC000867303086 1285531319 /nfs/dbraw/zinc/53/13/19/1285531319.db2.gz YNZYHHGGBBQMHT-JTQLQIEISA-N 0 0 345.424 2.405 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC3(C)CCOCC3)C2)cc1 ZINC000852181075 1292029631 /nfs/dbraw/zinc/02/96/31/1292029631.db2.gz YGAWSYARUZJFFM-OAHLLOKOSA-N 0 0 347.459 2.390 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3nc(C)no3)C2)cc1 ZINC000852190953 1292034079 /nfs/dbraw/zinc/03/40/79/1292034079.db2.gz ISGOXGDYMPQVMR-DGCLKSJQSA-N 0 0 345.403 2.026 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCOCC3CCC3)C2)cc1 ZINC000852256236 1292066667 /nfs/dbraw/zinc/06/66/67/1292066667.db2.gz UGRQABOFJMRWJK-INIZCTEOSA-N 0 0 347.459 2.390 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCSC3)C2)cc1 ZINC000852449655 1292116482 /nfs/dbraw/zinc/11/64/82/1292116482.db2.gz VMSOKLVDLJEODV-ZIAGYGMSSA-N 0 0 335.473 2.469 10 10 EECERN CC12CC(C1)CN2C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000853452082 1292387117 /nfs/dbraw/zinc/38/71/17/1292387117.db2.gz FIZCLTTYAWDNPI-UHFFFAOYSA-N 0 0 347.434 2.481 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC2(COC2)C1 ZINC000854177554 1292663068 /nfs/dbraw/zinc/66/30/68/1292663068.db2.gz ZNPLLEHVEQGRFF-OAHLLOKOSA-N 0 0 331.460 2.424 10 10 EECERN CCN(C[C@@H](C)OC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296889 1292707415 /nfs/dbraw/zinc/70/74/15/1292707415.db2.gz HKUGPWKIRNHJTH-HUUCEWRRSA-N 0 0 335.448 2.340 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[C@@H](CO)C3)C2)cc1 ZINC000854296660 1292708339 /nfs/dbraw/zinc/70/83/39/1292708339.db2.gz FQEBLIWPZJFSBK-PMPSAXMXSA-N 0 0 347.459 2.124 10 10 EECERN Cc1cc(CC(=O)N[C@@H]2C[C@@H](C)OC2=O)c(C)n1-c1ccccc1 ZINC000854469671 1292795701 /nfs/dbraw/zinc/79/57/01/1292795701.db2.gz JZSUKMGUHDVZMI-CXAGYDPISA-N 0 0 326.396 2.457 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@H](OC)C3)C2)cc1 ZINC000854981235 1293018807 /nfs/dbraw/zinc/01/88/07/1293018807.db2.gz MEUVTTVZTKGQJJ-VKJFTORMSA-N 0 0 332.444 2.453 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3nn(C)c(C)c3Cl)C2)cc1 ZINC000855223394 1293116400 /nfs/dbraw/zinc/11/64/00/1293116400.db2.gz GZNJWFVKQXZWAA-GFCCVEGCSA-N 0 0 348.834 2.399 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3csc(C)n3)C2)cc1 ZINC000855229521 1293120800 /nfs/dbraw/zinc/12/08/00/1293120800.db2.gz OSPNRTVVQZMKOG-CYBMUJFWSA-N 0 0 331.441 2.398 10 10 EECERN CCOC1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000856209610 1293445236 /nfs/dbraw/zinc/44/52/36/1293445236.db2.gz ULMXVZBBSJJNKW-UHFFFAOYSA-N 0 0 332.444 2.223 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCOCC1 ZINC000856213478 1293447351 /nfs/dbraw/zinc/44/73/51/1293447351.db2.gz NPDCPQBREIOBPB-INIZCTEOSA-N 0 0 332.444 2.081 10 10 EECERN COC[C@@]1(C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000858368022 1294097778 /nfs/dbraw/zinc/09/77/78/1294097778.db2.gz BBGGYWVUIWDAKO-RDTXWAMCSA-N 0 0 335.448 2.261 10 10 EECERN C/C=C/CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000858530804 1294145705 /nfs/dbraw/zinc/14/57/05/1294145705.db2.gz PKFHCFQWNZGUJH-NSCUHMNNSA-N 0 0 325.359 2.177 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000858837788 1294240536 /nfs/dbraw/zinc/24/05/36/1294240536.db2.gz WDDYDIQAHHELGG-UDGJJRABSA-N 0 0 334.372 2.378 10 10 EECERN C[C@@H](NS(=O)(=O)[C@H]1COC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000859114728 1294322771 /nfs/dbraw/zinc/32/27/71/1294322771.db2.gz LGOVQCSSCUFERU-IUODEOHRSA-N 0 0 326.462 2.301 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](O)[C@H]2CCCO2)cc1 ZINC000862650742 1295916912 /nfs/dbraw/zinc/91/69/12/1295916912.db2.gz UYLJLILDPRIKOH-ZWKOTPCHSA-N 0 0 328.412 2.364 10 10 EECERN Cc1nnc(NNC(=S)Nc2cccc(OC(F)(F)F)c2)n1C ZINC000863206498 1296149056 /nfs/dbraw/zinc/14/90/56/1296149056.db2.gz STQAJAAHWPAYRY-UHFFFAOYSA-N 0 0 346.338 2.336 10 10 EECERN Cc1cc(C(=O)CN2C[C@H](O)C3(CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC001117756365 1306162815 /nfs/dbraw/zinc/16/28/15/1306162815.db2.gz BSHXKWOAHXXBGR-KRWDZBQOSA-N 0 0 343.402 2.268 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001119768246 1309195780 /nfs/dbraw/zinc/19/57/80/1309195780.db2.gz DLORHBPNUGOBRD-QJPTWQEYSA-N 0 0 339.486 2.046 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001119832740 1309222825 /nfs/dbraw/zinc/22/28/25/1309222825.db2.gz OVBSIRNALWNZMX-WKULXVSPSA-N 0 0 344.480 2.279 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)CCc3cc(C)n[nH]3)C2)cc1 ZINC001162718358 1320938962 /nfs/dbraw/zinc/93/89/62/1320938962.db2.gz IOELRDTXMPFXTN-OAHLLOKOSA-N 0 0 342.443 2.302 10 10 EECERN CCN(C[C@H]1COc2ccccc2O1)C(=O)Cc1ccc(O)c(O)c1 ZINC001292877275 1328536828 /nfs/dbraw/zinc/53/68/28/1328536828.db2.gz AGGUFDPSFRNPES-AWEZNQCLSA-N 0 0 343.379 2.329 10 10 EECERN COC(=O)CN(C)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001141423116 1315142680 /nfs/dbraw/zinc/14/26/80/1315142680.db2.gz KJMCDWYXUILHML-UHFFFAOYSA-N 0 0 344.411 2.160 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H](O)c1ccccn1 ZINC001141722407 1315258416 /nfs/dbraw/zinc/25/84/16/1315258416.db2.gz AGFMMLHIIRABPV-KRWDZBQOSA-N 0 0 345.362 2.463 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000840346103 1315354387 /nfs/dbraw/zinc/35/43/87/1315354387.db2.gz ZNRJPOUTKZOAFS-UQXCZLMFSA-N 0 0 332.356 2.396 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCN(C2CC2)CC1 ZINC000840478522 1315368925 /nfs/dbraw/zinc/36/89/25/1315368925.db2.gz HFXQSTVMMNBZDP-MRXNPFEDSA-N 0 0 344.503 2.482 10 10 EECERN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841138055 1315486846 /nfs/dbraw/zinc/48/68/46/1315486846.db2.gz QWVDUNFUALNKEY-NXEZZACHSA-N 0 0 329.322 2.397 10 10 EECERN Nc1ccc(CCNC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000841960605 1315644919 /nfs/dbraw/zinc/64/49/19/1315644919.db2.gz UHUUFXMUCMVUKE-GOSISDBHSA-N 0 0 341.411 2.300 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1-n1ccnn1 ZINC001154026806 1316939309 /nfs/dbraw/zinc/93/93/09/1316939309.db2.gz OJVYYFNYQPCXSF-JTQLQIEISA-N 0 0 344.396 2.101 10 10 EECERN CCOc1cc(CNC(=O)Cc2ccc(O)c(O)c2)ccc1OC ZINC001293526284 1328742041 /nfs/dbraw/zinc/74/20/41/1328742041.db2.gz ABMUKIFMDPCGSI-UHFFFAOYSA-N 0 0 331.368 2.364 10 10 EECERN Oc1cccc(O)c1CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC001164212621 1321320157 /nfs/dbraw/zinc/32/01/57/1321320157.db2.gz WPZOUFPUCFMPIF-UHFFFAOYSA-N 0 0 325.250 2.166 10 10 EECERN CC(C)c1n[nH]c(CC2CCN(C(=O)c3cccc(O)c3O)CC2)n1 ZINC001164363184 1321361686 /nfs/dbraw/zinc/36/16/86/1321361686.db2.gz UUKZMHNPEODHPV-UHFFFAOYSA-N 0 0 344.415 2.434 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@@](C)(F)C1 ZINC001261303024 1322061520 /nfs/dbraw/zinc/06/15/20/1322061520.db2.gz BOQMMRQRYJQVHO-LJQANCHMSA-N 0 0 349.450 2.452 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(OC)nc2)c1 ZINC001261790853 1322176842 /nfs/dbraw/zinc/17/68/42/1322176842.db2.gz XCCNHTVGOPMPJT-GFCCVEGCSA-N 0 0 330.384 2.476 10 10 EECERN CC/C(C)=C/C(=O)N(C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001280998360 1324705637 /nfs/dbraw/zinc/70/56/37/1324705637.db2.gz DDBSATUDZOOACJ-YQCJOKCJSA-N 0 0 349.431 2.032 10 10 EECERN CC(C)=CC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285724008 1327124581 /nfs/dbraw/zinc/12/45/81/1327124581.db2.gz PPMNYTUPYRQLLW-LBPRGKRZSA-N 0 0 345.403 2.392 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CNCC(F)(F)F ZINC001290375041 1328188525 /nfs/dbraw/zinc/18/85/25/1328188525.db2.gz QIZAOGPRFFQFHU-UHFFFAOYSA-N 0 0 329.366 2.397 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCn3ncnc32)cc1 ZINC001291710990 1328318378 /nfs/dbraw/zinc/31/83/78/1328318378.db2.gz LMVSDLOOUURESA-MRXNPFEDSA-N 0 0 327.432 2.318 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC001292023969 1328354734 /nfs/dbraw/zinc/35/47/34/1328354734.db2.gz BZRWSUCXCCQECR-AWEZNQCLSA-N 0 0 344.386 2.422 10 10 EECERN CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[C@@H]1C[C@@H]1C ZINC001296321492 1329882215 /nfs/dbraw/zinc/88/22/15/1329882215.db2.gz TVISWNKRBSYRSM-SMDDNHRTSA-N 0 0 345.403 2.083 10 10 EECERN CC/C=C(/C)C(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001491619678 1330186402 /nfs/dbraw/zinc/18/64/02/1330186402.db2.gz LRLIKNGJGVADIO-FVCBCDDESA-N 0 0 345.403 2.441 10 10 EECERN O=C([O-])[C@@H](CCF)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001326755654 1334155262 /nfs/dbraw/zinc/15/52/62/1334155262.db2.gz BMNIAWTYVLAPSZ-CYBMUJFWSA-N 0 0 339.367 2.488 10 10 EECERN CC1(C)CC(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC001328635915 1334492467 /nfs/dbraw/zinc/49/24/67/1334492467.db2.gz JPHSAPCXSCRBER-UHFFFAOYSA-N 0 0 329.444 2.208 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]cc(Cl)c3=O)C2)cc1 ZINC001329589107 1334679484 /nfs/dbraw/zinc/67/94/84/1334679484.db2.gz RXAMRROHHRHOHF-LLVKDONJSA-N 0 0 347.802 2.046 10 10 EECERN C[C@@H](NC(=O)C(=O)NC[C@]12C[C@H]1CCC2)c1ccc(N(C)C)cc1 ZINC001332981674 1335941078 /nfs/dbraw/zinc/94/10/78/1335941078.db2.gz QNERBZKXLRUFMD-MUKKUYKPSA-N 0 0 329.444 2.236 10 10 EECERN Cc1ccc(CC[C@H](C)NC(=O)C(=O)N(C)Cc2ccccc2O)o1 ZINC001342684405 1337319407 /nfs/dbraw/zinc/31/94/07/1337319407.db2.gz YJZWUERGFOLZAD-ZDUSSCGKSA-N 0 0 344.411 2.390 10 10 EECERN CN1CCN(c2ccc(CN[C@@H]3CCn4ccnc43)cc2F)CC1 ZINC001344070378 1337364063 /nfs/dbraw/zinc/36/40/63/1337364063.db2.gz RDKHBKKZRNFUGH-MRXNPFEDSA-N 0 0 329.423 2.009 10 10 EECERN C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000847394312 1338023466 /nfs/dbraw/zinc/02/34/66/1338023466.db2.gz XLNOCZXLQGWQPC-HZPDHXFCSA-N 0 0 331.460 2.042 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)C3CCOCC3)C2)cc1 ZINC000849416802 1339156338 /nfs/dbraw/zinc/15/63/38/1339156338.db2.gz WYTVAHPZWIOPGF-AWEZNQCLSA-N 0 0 333.432 2.094 10 10 EECERN C/C(=C\C(=O)N1CC(=O)Nc2cc(F)c(F)cc21)c1cnccn1 ZINC001616977652 1352334265 /nfs/dbraw/zinc/33/42/65/1352334265.db2.gz VMGZVGGUZDDJIY-RUDMXATFSA-N 0 0 330.294 2.143 10 10 EECERN COC(=O)Nc1cc(C(=O)NCc2ccc(O)c(O)c2)ccc1F ZINC001595595257 1349889679 /nfs/dbraw/zinc/88/96/79/1349889679.db2.gz AAJKHEXMAODAKE-UHFFFAOYSA-N 0 0 334.303 2.345 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001595806874 1349895477 /nfs/dbraw/zinc/89/54/77/1349895477.db2.gz YJTRUGOABRISDJ-QLJPJBMISA-N 0 0 346.339 2.220 10 10 EECERN COC(=O)[C@]1(C(=O)NCc2c(O)cccc2O)C[C@@H]1c1ccccc1 ZINC001597578718 1349928330 /nfs/dbraw/zinc/92/83/30/1349928330.db2.gz BPDIAIZLLLUHGU-AUUYWEPGSA-N 0 0 341.363 2.061 10 10 EECERN CN(Cc1ccn(-c2ccccc2)n1)C(=O)Cc1ccc(O)c(O)c1 ZINC001603272338 1350676754 /nfs/dbraw/zinc/67/67/54/1350676754.db2.gz OMKZFWJKPLCFOE-UHFFFAOYSA-N 0 0 337.379 2.485 10 10 EECERN Nc1c(C(=O)NCc2cccc(Cl)c2O)cnn1-c1ccccn1 ZINC001606859797 1351367581 /nfs/dbraw/zinc/36/75/81/1351367581.db2.gz ANDWSXMINDHHJW-UHFFFAOYSA-N 0 0 343.774 2.139 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001624953949 1352435689 /nfs/dbraw/zinc/43/56/89/1352435689.db2.gz CVKXJZUQDMIWDT-VIFPVBQESA-N 0 0 327.340 2.041 10 10 EECERN O=C(N[C@@H](CO)c1ccccn1)c1cc2cc(O)c(O)cc2s1 ZINC001624997664 1352437155 /nfs/dbraw/zinc/43/71/55/1352437155.db2.gz AFZCLVZBNKRRSI-NSHDSACASA-N 0 0 330.365 2.171 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](CO)Cc2ccco2)cc1 ZINC001625269991 1352444238 /nfs/dbraw/zinc/44/42/38/1352444238.db2.gz OTCJEXWVIOKNIL-LLVKDONJSA-N 0 0 330.344 2.023 10 10 EECERN Cc1ccc(C(=O)NCc2ccc(O)cc2O)c(Br)n1 ZINC001626838238 1352475045 /nfs/dbraw/zinc/47/50/45/1352475045.db2.gz STVKNPDBESWVHL-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2ccc(O)cc2O)C1 ZINC001626847509 1352475096 /nfs/dbraw/zinc/47/50/96/1352475096.db2.gz BSIGGDCFSGMFDN-ZDUSSCGKSA-N 0 0 348.399 2.328 10 10 EECERN O=C(N[C@H]1COc2cc(F)cc(F)c21)c1c(F)ccc(O)c1O ZINC001638567755 1352689664 /nfs/dbraw/zinc/68/96/64/1352689664.db2.gz ZSYZOQIXFZKHLS-VIFPVBQESA-N 0 0 325.242 2.379 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2cc(Cl)nnc2C1 ZINC001639963587 1352703341 /nfs/dbraw/zinc/70/33/41/1352703341.db2.gz NZJKERBDFZPFQN-DUXPYHPUSA-N 0 0 331.759 2.139 10 10 EECERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1Cc2cccc(O)c2C1 ZINC001643168473 1352741148 /nfs/dbraw/zinc/74/11/48/1352741148.db2.gz CPKQJEQIENFDQP-UHFFFAOYSA-N 0 0 342.307 2.228 10 10 EECERN COC(=O)[C@]1(C(=O)NCc2cc(O)ccc2O)C[C@@H]1c1ccccc1 ZINC001643884969 1352754971 /nfs/dbraw/zinc/75/49/71/1352754971.db2.gz DBXAHEMWMYWFCT-DNVCBOLYSA-N 0 0 341.363 2.061 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC(c2cnc3ccccc3n2)C1 ZINC001643891574 1352755316 /nfs/dbraw/zinc/75/53/16/1352755316.db2.gz IGIAXSJPUWSUQS-UHFFFAOYSA-N 0 0 335.363 2.210 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1cnccc1C(F)(F)F ZINC001646123209 1352816931 /nfs/dbraw/zinc/81/69/31/1352816931.db2.gz GKRSUMYLOXCYHJ-UHFFFAOYSA-N 0 0 326.274 2.371 10 10 EECERN Nc1c(Cl)cc(C(=O)NCc2c(O)cccc2O)cc1[N+](=O)[O-] ZINC001647289445 1353219991 /nfs/dbraw/zinc/21/99/91/1353219991.db2.gz DLXVAFJYZQTRRW-UHFFFAOYSA-N 0 0 337.719 2.172 10 10 EECERN C/C=C(\C)C(=O)N(CC)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001688405940 1358947668 /nfs/dbraw/zinc/94/76/68/1358947668.db2.gz XAKJTHZTCMITEV-XIBZFINVSA-N 0 0 345.403 2.394 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(c2nnc[nH]2)CC1 ZINC001167465911 759693570 /nfs/dbraw/zinc/69/35/70/759693570.db2.gz QOPFZZMDUKVIRO-UHFFFAOYSA-N 0 0 344.396 2.450 10 10 EECERN CO[C@]1(CNC(=O)NCc2ccc(N(C)C)cc2C)CCSC1 ZINC000919082162 769575796 /nfs/dbraw/zinc/57/57/96/769575796.db2.gz WEHJPCLOHXRLEF-KRWDZBQOSA-N 0 0 337.489 2.382 10 10 EECERN CO[C@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCSC1 ZINC000919908120 770441137 /nfs/dbraw/zinc/44/11/37/770441137.db2.gz DFRAHYINKBTYKY-SFHVURJKSA-N 0 0 347.484 2.384 10 10 EECERN CC(C)Oc1cncc(S(=O)(=O)NCc2c(O)cccc2F)c1 ZINC000921450966 773382158 /nfs/dbraw/zinc/38/21/58/773382158.db2.gz IAVNSDFGYLCWLO-UHFFFAOYSA-N 0 0 340.376 2.192 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000921486591 773384012 /nfs/dbraw/zinc/38/40/12/773384012.db2.gz OTAYOAJMMHNLQM-ZDUSSCGKSA-N 0 0 349.406 2.122 10 10 EECERN C/C(=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CN1CCOCC1 ZINC000907493350 784674408 /nfs/dbraw/zinc/67/44/08/784674408.db2.gz QTSJVPRLFMQYHH-UGEDRFTOSA-N 0 0 331.460 2.208 10 10 EECERN CNc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)nc1 ZINC001136336512 785900894 /nfs/dbraw/zinc/90/08/94/785900894.db2.gz TZDNDNQXOXBALQ-UHFFFAOYSA-N 0 0 340.427 2.484 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cnn(CCC(F)(F)F)c1 ZINC000910950255 787131061 /nfs/dbraw/zinc/13/10/61/787131061.db2.gz UPEUFXQNIZSEQB-UHFFFAOYSA-N 0 0 329.278 2.177 10 10 EECERN CO[C@@H]1COCC[C@@H]1CC(=O)NCCCSc1nccs1 ZINC000823297651 787685942 /nfs/dbraw/zinc/68/59/42/787685942.db2.gz FPRAFZIYDBBZLV-VXGBXAGGSA-N 0 0 330.475 2.183 10 10 EECERN CO[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000824261593 788111709 /nfs/dbraw/zinc/11/17/09/788111709.db2.gz HAJSKINUDNNJOG-SJLPKXTDSA-N 0 0 332.444 2.345 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2C(=O)Cc3ccccc32)cc1F ZINC000824669377 788268568 /nfs/dbraw/zinc/26/85/68/788268568.db2.gz KIMUGRWEUVVADM-UHFFFAOYSA-N 0 0 341.386 2.097 10 10 EECERN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912732016 788326769 /nfs/dbraw/zinc/32/67/69/788326769.db2.gz NYRXRPLJYKDFJD-ZJUUUORDSA-N 0 0 335.381 2.384 10 10 EECERN CCN(Cc1cn(C)nn1)Cc1ccc(Br)cc1O ZINC000825478478 788665286 /nfs/dbraw/zinc/66/52/86/788665286.db2.gz BZPZMPQSXCRRHH-UHFFFAOYSA-N 0 0 325.210 2.305 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000843850760 788689613 /nfs/dbraw/zinc/68/96/13/788689613.db2.gz IGOGTQFZFHHDLY-RYUDHWBXSA-N 0 0 329.400 2.238 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000846475350 790193419 /nfs/dbraw/zinc/19/34/19/790193419.db2.gz CRKQXEUGGWJRIK-LLVKDONJSA-N 0 0 346.818 2.393 10 10 EECERN CC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(OC)C1=O ZINC000929754523 794196850 /nfs/dbraw/zinc/19/68/50/794196850.db2.gz CEBQGKCUDROUCX-LBPRGKRZSA-N 0 0 343.221 2.139 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000914158931 795028299 /nfs/dbraw/zinc/02/82/99/795028299.db2.gz YOKIHGMDLRJFOX-JTQLQIEISA-N 0 0 349.328 2.215 10 10 EECERN CN1CCO[C@@H](C[N@H+](C)Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715788082 795503210 /nfs/dbraw/zinc/50/32/10/795503210.db2.gz XYRDEAHUYSNFEA-GFCCVEGCSA-N 0 0 347.228 2.056 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3CCC(=O)[C@@H](C)C3)CC2)cc1 ZINC000916225077 797557206 /nfs/dbraw/zinc/55/72/06/797557206.db2.gz CLLRHJMCLHTCNZ-AWEZNQCLSA-N 0 0 345.443 2.285 10 10 EECERN C=C/C=C\CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001178039128 799258620 /nfs/dbraw/zinc/25/86/20/799258620.db2.gz NUYYTPSHJTYNNU-ARJAWSKDSA-N 0 0 327.428 2.137 10 10 EECERN COCCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC000786966043 806949659 /nfs/dbraw/zinc/94/96/59/806949659.db2.gz KILOYAOENQNDDS-SFHVURJKSA-N 0 0 347.459 2.234 10 10 EECERN CN1CCCc2cc(CNC(=O)NCc3ncccc3O)ccc21 ZINC000792060932 809557122 /nfs/dbraw/zinc/55/71/22/809557122.db2.gz ZDGKSDSJCMFYBA-UHFFFAOYSA-N 0 0 326.400 2.169 10 10 EECERN Cc1ccc(CN(CCO)C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000792952489 810086736 /nfs/dbraw/zinc/08/67/36/810086736.db2.gz QMQYJTYCJWIFSD-UHFFFAOYSA-N 0 0 349.406 2.497 10 10 EECERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)N(Cc1ccco1)Cc1ccccc1O ZINC000793451464 810340639 /nfs/dbraw/zinc/34/06/39/810340639.db2.gz PJXYNCIKKHUFJL-QLPKVWCKSA-N 0 0 328.368 2.342 10 10 EECERN COc1ccc(CNC(=O)Nc2ccc(OC(C)C)nn2)c(O)c1 ZINC000794309253 810760556 /nfs/dbraw/zinc/76/05/56/810760556.db2.gz CLNUZVAYSWKXAN-UHFFFAOYSA-N 0 0 332.360 2.300 10 10 EECERN CC(C)Oc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)nn1 ZINC000794309248 810760634 /nfs/dbraw/zinc/76/06/34/810760634.db2.gz CCNSSDQIUFEUMQ-UHFFFAOYSA-N 0 0 332.360 2.039 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)CO[C@@H](C)c2nccn2C)c1 ZINC000806793507 811991996 /nfs/dbraw/zinc/99/19/96/811991996.db2.gz RPPXYQXXEBDPQA-RYUDHWBXSA-N 0 0 333.388 2.089 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000806819854 812002415 /nfs/dbraw/zinc/00/24/15/812002415.db2.gz HUOOZMUEORGJSF-LJQANCHMSA-N 0 0 347.459 2.152 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC000808550101 812717687 /nfs/dbraw/zinc/71/76/87/812717687.db2.gz DIXHAIRIKVJLOG-UHFFFAOYSA-N 0 0 325.320 2.254 10 10 EECERN Nc1ccc(Br)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC001566359533 1125597001 /nfs/dbraw/zinc/59/70/01/1125597001.db2.gz GEDCXOPERKVJCJ-UHFFFAOYSA-N 0 0 337.173 2.373 10 10 EECERN COc1cc(Cl)cc(C[NH2+][C@@H](Cc2ccncc2)C(=O)[O-])c1O ZINC000848639003 1126112300 /nfs/dbraw/zinc/11/23/00/1126112300.db2.gz DJQOHWAEZWAXPZ-ZDUSSCGKSA-N 0 0 336.775 2.235 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001441711494 1095691517 /nfs/dbraw/zinc/69/15/17/1095691517.db2.gz CYWAZNSCRSLGFR-UHFFFAOYSA-N 0 0 343.387 2.348 10 10 EECERN C[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CS2)c1ccccc1O ZINC001454806864 1107691733 /nfs/dbraw/zinc/69/17/33/1107691733.db2.gz OXMHFMLCFPHUGV-SECBINFHSA-N 0 0 329.381 2.322 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cccc(Cn2cncn2)c1 ZINC001456031653 1109057664 /nfs/dbraw/zinc/05/76/64/1109057664.db2.gz ZBTFHYPMLVUCQA-UHFFFAOYSA-N 0 0 326.331 2.101 10 10 EECERN Cn1cnc(/C=C\C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c1 ZINC001457141706 1109486351 /nfs/dbraw/zinc/48/63/51/1109486351.db2.gz RMSPNBDFCSQURA-QWPQOLDESA-N 0 0 333.395 2.460 10 10 EECERN Cn1c(CNC(=O)c2ccc(N=NC(N)=O)cc2)nnc1C1CCC1 ZINC001466374481 1110434435 /nfs/dbraw/zinc/43/44/35/1110434435.db2.gz CUFSQPHKEZUTIX-UHFFFAOYSA-N 0 0 341.375 2.175 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@]1(c2ccccc2)CCCO1 ZINC001472000478 1110537921 /nfs/dbraw/zinc/53/79/21/1110537921.db2.gz XYRDAVKZZMHUKH-LJQANCHMSA-N 0 0 327.380 2.462 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC001478776411 1110657460 /nfs/dbraw/zinc/65/74/60/1110657460.db2.gz MHJYNWLFCADCGW-IBGZPJMESA-N 0 0 344.459 2.097 10 10 EECERN CCc1nnc(N(C)Cc2ccccc2O)n1CCc1cn[nH]c1 ZINC001513795479 1118741651 /nfs/dbraw/zinc/74/16/51/1118741651.db2.gz RVLAAKPZUFTBKL-UHFFFAOYSA-N 0 0 326.404 2.148 10 10 EECERN CCn1cccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001518982392 1119068610 /nfs/dbraw/zinc/06/86/10/1119068610.db2.gz SFODICNNNQCEKB-UHFFFAOYSA-N 0 0 331.391 2.414 10 10 EECERN CNC(=O)[C@@H]1CN(C(=O)/C(C)=C\c2cccnc2)c2ccccc2O1 ZINC001523461328 1119797774 /nfs/dbraw/zinc/79/77/74/1119797774.db2.gz KDORMWKJCNYNFQ-QFSNBGPKSA-N 0 0 337.379 2.025 10 10 EECERN Cc1nnc(N2CCO[C@@H](C)C2)n1CCCSc1nccs1 ZINC001543344352 1124128064 /nfs/dbraw/zinc/12/80/64/1124128064.db2.gz WVCJHODBCGICRX-NSHDSACASA-N 0 0 339.490 2.451 10 10 EECERN Cc1nnc(N2CCOC[C@@H]2C)n1CCCSc1nccs1 ZINC001543355621 1124128546 /nfs/dbraw/zinc/12/85/46/1124128546.db2.gz MFFWWPAWCLXILB-NSHDSACASA-N 0 0 339.490 2.451 10 10 EECERN CCN(CC)c1ccc(CNC(=O)Cn2c(C)cc(C)nc2=O)cc1 ZINC001544579990 1124159065 /nfs/dbraw/zinc/15/90/65/1124159065.db2.gz AQWBPPCLEKPXPU-UHFFFAOYSA-N 0 0 342.443 2.023 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCc2nc[nH]c2C1 ZINC000378076028 238290170 /nfs/dbraw/zinc/29/01/70/238290170.db2.gz XEWFVHXTQAJTBD-CYBMUJFWSA-N 0 0 340.427 2.351 10 10 EECERN Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)c(O)c1O ZINC000296987825 465242859 /nfs/dbraw/zinc/24/28/59/465242859.db2.gz LJKRABNJRAGTJM-UKRRQHHQSA-N 0 0 328.368 2.451 10 10 EECERN CN(C)c1ccc(CN(Cc2nnnn2C2CC2)CC2CC2)cc1 ZINC000065534551 462792449 /nfs/dbraw/zinc/79/24/49/462792449.db2.gz JARCCUIXKKVWPV-UHFFFAOYSA-N 0 0 326.448 2.486 10 10 EECERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1cnccc1CO ZINC000135758435 463195855 /nfs/dbraw/zinc/19/58/55/463195855.db2.gz GMWLMPXYOCXILK-ZZXKWVIFSA-N 0 0 339.395 2.062 10 10 EECERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccccc1O)CC2 ZINC000161578177 463440781 /nfs/dbraw/zinc/44/07/81/463440781.db2.gz TYCUAQHHNOZIME-CQSZACIVSA-N 0 0 343.431 2.264 10 10 EECERN O=C(N[C@@H]1CCCOC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000171619258 463892970 /nfs/dbraw/zinc/89/29/70/463892970.db2.gz YTQBNZZKBWTSIX-HZPDHXFCSA-N 0 0 334.416 2.262 10 10 EECERN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])C2=O)n(C)n1 ZINC000186327624 463978299 /nfs/dbraw/zinc/97/82/99/463978299.db2.gz HWBBFWHKCDAOMX-SWLSCSKDSA-N 0 0 346.406 2.419 10 10 EECERN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1O ZINC000290558021 464124167 /nfs/dbraw/zinc/12/41/67/464124167.db2.gz FMZBLRDOWMHODJ-JQWIXIFHSA-N 0 0 336.388 2.226 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000290973150 464139621 /nfs/dbraw/zinc/13/96/21/464139621.db2.gz PAIDCHKJBGWGBJ-CQSZACIVSA-N 0 0 329.366 2.396 10 10 EECERN CN(C(=O)c1cccc(O)c1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000188480338 464291618 /nfs/dbraw/zinc/29/16/18/464291618.db2.gz AQMWELRANZFZJR-AWEZNQCLSA-N 0 0 344.342 2.114 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H](C)OC)CC2)cc1 ZINC000188811783 464375480 /nfs/dbraw/zinc/37/54/80/464375480.db2.gz KQNNWOFMLYWWQP-GJZGRUSLSA-N 0 0 335.448 2.340 10 10 EECERN CN(C)c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1 ZINC000274791757 464755736 /nfs/dbraw/zinc/75/57/36/464755736.db2.gz MMNZXDPEIAUJAA-UHFFFAOYSA-N 0 0 326.444 2.274 10 10 EECERN CN(C)c1ccc(CN(C(=O)NCc2ccnn2C)C2CC2)cc1 ZINC000298892891 465535115 /nfs/dbraw/zinc/53/51/15/465535115.db2.gz SHEXXPSOTSTGJP-UHFFFAOYSA-N 0 0 327.432 2.360 10 10 EECERN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nnc2n1CCCCC2 ZINC000365011549 466727168 /nfs/dbraw/zinc/72/71/68/466727168.db2.gz QFXMENFTYVNTBK-YPUOHESYSA-N 0 0 342.399 2.306 10 10 EECERN CN1CC[C@H](NC(=O)c2cccc(O)c2O)[C@H]1c1ccc(F)cc1 ZINC000365790382 466940785 /nfs/dbraw/zinc/94/07/85/466940785.db2.gz SRIQLRWBIBFZOB-GOEBONIOSA-N 0 0 330.359 2.412 10 10 EECERN CCOC(=O)CC[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000089893251 528757305 /nfs/dbraw/zinc/75/73/05/528757305.db2.gz BDDNZZNQUSYRPS-LBPRGKRZSA-N 0 0 339.411 2.423 10 10 EECERN COc1ccc(O)c(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 ZINC000734064262 577275240 /nfs/dbraw/zinc/27/52/40/577275240.db2.gz AYDAUSIQEVGXNH-UHFFFAOYSA-N 0 0 331.372 2.118 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H](C)CC(C)C)cc2=O ZINC000765532643 577502758 /nfs/dbraw/zinc/50/27/58/577502758.db2.gz WCLVKFUFVGGHCE-LLVKDONJSA-N 0 0 349.387 2.337 10 10 EECERN CN(Cc1ccccc1O)c1ncc(I)cn1 ZINC000766087264 577512542 /nfs/dbraw/zinc/51/25/42/577512542.db2.gz CEPQABKBYGSJPF-UHFFFAOYSA-N 0 0 341.152 2.423 10 10 EECERN COCCN(Cc1nnnn1C(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000766827455 577525398 /nfs/dbraw/zinc/52/53/98/577525398.db2.gz VUYHRQIMXUJXEN-UHFFFAOYSA-N 0 0 349.435 2.098 10 10 EECERN O=C1N[C@@]2(CCSC2)C(=O)N1CCCSc1nccs1 ZINC000761295662 577681287 /nfs/dbraw/zinc/68/12/87/577681287.db2.gz BVOVLJQTUYVNHH-GFCCVEGCSA-N 0 0 329.472 2.053 10 10 EECERN C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756609737 577847500 /nfs/dbraw/zinc/84/75/00/577847500.db2.gz FYPGXBWJVKJBLK-OLZOCXBDSA-N 0 0 345.403 2.354 10 10 EECERN C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756737304 577849605 /nfs/dbraw/zinc/84/96/05/577849605.db2.gz SLZIGOWNUPHOMY-MEBBXXQBSA-N 0 0 340.370 2.101 10 10 EECERN CN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCC1 ZINC000745690856 577917032 /nfs/dbraw/zinc/91/70/32/577917032.db2.gz FPWHXMYMTKHIPI-HNNXBMFYSA-N 0 0 344.459 2.082 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cscn1 ZINC000747861314 577951586 /nfs/dbraw/zinc/95/15/86/577951586.db2.gz MILKYGIUDGRNSF-UHFFFAOYSA-N 0 0 346.456 2.321 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)NCC[S@@](=O)CC)cc1 ZINC000735109987 578135159 /nfs/dbraw/zinc/13/51/59/578135159.db2.gz HSUVAOKFHRQZJZ-QHCPKHFHSA-N 0 0 339.505 2.443 10 10 EECERN Cc1nnsc1C(=O)NCc1cc(Br)ccc1O ZINC000804735648 675609895 /nfs/dbraw/zinc/60/98/95/675609895.db2.gz GLDWQGYTKVRWET-UHFFFAOYSA-N 0 0 328.191 2.245 10 10 EECERN Cc1cc(=O)c(C(=O)NCc2cc(Br)ccc2O)c[nH]1 ZINC000804739668 675612063 /nfs/dbraw/zinc/61/20/63/675612063.db2.gz NYEKNFIDRZMNGC-UHFFFAOYSA-N 0 0 337.173 2.081 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(CCO)CCC1 ZINC000152915898 683580809 /nfs/dbraw/zinc/58/08/09/683580809.db2.gz VSFXNQRBRRZXOA-UHFFFAOYSA-N 0 0 329.444 2.415 10 10 EECERN COC(=O)CC1([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895134620 684076374 /nfs/dbraw/zinc/07/63/74/684076374.db2.gz IOTVFJCLAJFQED-UHFFFAOYSA-N 0 0 332.169 2.479 10 10 EECERN CCn1ncc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)n1 ZINC000895390021 684576661 /nfs/dbraw/zinc/57/66/61/684576661.db2.gz UTZMOYPUYVEFNR-UHFFFAOYSA-N 0 0 345.378 2.005 10 10 EECERN COC(=O)C[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000895619710 684664911 /nfs/dbraw/zinc/66/49/11/684664911.db2.gz UQCUFNJELMYSBF-GHMZBOCLSA-N 0 0 338.360 2.247 10 10 EECERN O=C1CC2(CCC2)[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1 ZINC000895929286 684778407 /nfs/dbraw/zinc/77/84/07/684778407.db2.gz ZUGHCXNOEPIRJB-UHFFFAOYSA-N 0 0 339.779 2.198 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cn(Cc2ccccc2)nn1 ZINC000194543704 684948053 /nfs/dbraw/zinc/94/80/53/684948053.db2.gz JSTBPGSISYKFDV-VQHVLOKHSA-N 0 0 336.351 2.390 10 10 EECERN COc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc(OC)c1O ZINC000199571892 686741265 /nfs/dbraw/zinc/74/12/65/686741265.db2.gz FRUMZVHLENUODZ-XQRVVYSFSA-N 0 0 345.351 2.150 10 10 EECERN CCOCCOC1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897321510 687069378 /nfs/dbraw/zinc/06/93/78/687069378.db2.gz RASZZAMJPKOBCG-UHFFFAOYSA-N 0 0 337.397 2.190 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2cccnc2)on1 ZINC000130128427 690519275 /nfs/dbraw/zinc/51/92/75/690519275.db2.gz BBRUFOMWSWQYHZ-UHFFFAOYSA-N 0 0 325.324 2.120 10 10 EECERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[S@@](=O)C1 ZINC000897571817 691627560 /nfs/dbraw/zinc/62/75/60/691627560.db2.gz YWBVERCKAVJSJH-GTUYJWLHSA-N 0 0 339.438 2.153 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCC(=O)NC2CCCCC2)cc1 ZINC001625868641 1177173949 /nfs/dbraw/zinc/17/39/49/1177173949.db2.gz FFZWXEFKFBZWMW-UHFFFAOYSA-N 0 0 331.376 2.028 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2ccccc2F)c2c1CCCC2 ZINC000842121472 1188539362 /nfs/dbraw/zinc/53/93/62/1188539362.db2.gz SOILXOZQRINTTO-UHFFFAOYSA-N 0 0 344.342 2.205 10 10 EECERN CCN(CC)c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001547453207 1195441998 /nfs/dbraw/zinc/44/19/98/1195441998.db2.gz KGNQVXBYGAZKNO-UHFFFAOYSA-N 0 0 329.448 2.318 10 10 EECERN CCOC1CC2(C[C@H]2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000864984049 1198033758 /nfs/dbraw/zinc/03/37/58/1198033758.db2.gz DUHYWIASSLBWTD-FDYSRKEFSA-N 0 0 344.455 2.345 10 10 EECERN CC(C)n1ncc2c1C[C@H](NC(=O)c1c(F)ccc(O)c1O)CC2 ZINC000825988204 1200005330 /nfs/dbraw/zinc/00/53/30/1200005330.db2.gz UZUHCVABISIGPL-LLVKDONJSA-N 0 0 333.363 2.302 10 10 EECERN COC(=O)[C@H]([C@@H](C)O)N(Cc1ccccc1)Cc1ccccc1O ZINC000811509865 1200118179 /nfs/dbraw/zinc/11/81/79/1200118179.db2.gz IQGKNYJRBJQPCL-KDOFPFPSSA-N 0 0 329.396 2.317 10 10 EECERN O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1Cc2cccc(O)c2C1 ZINC000871198970 1201096402 /nfs/dbraw/zinc/09/64/02/1201096402.db2.gz QLHPCLBAQOXDGE-AWEZNQCLSA-N 0 0 328.412 2.416 10 10 EECERN CCO[C@@H]1COCC[C@@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000866209156 1201465610 /nfs/dbraw/zinc/46/56/10/1201465610.db2.gz YXPCHXONPKTRBJ-RDTXWAMCSA-N 0 0 348.443 2.310 10 10 EECERN CC(C)C[C@@]1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCNC1=O ZINC000867503613 1201624282 /nfs/dbraw/zinc/62/42/82/1201624282.db2.gz NJKBUJYTPDHEER-KUHUBIRLSA-N 0 0 331.460 2.482 10 10 EECERN Cc1cc2c(cc1S(=O)(=O)N1Cc3cccc(O)c3C1)OCO2 ZINC000867691561 1201660151 /nfs/dbraw/zinc/66/01/51/1201660151.db2.gz ZYXCPWQBWDCHCE-UHFFFAOYSA-N 0 0 333.365 2.134 10 10 EECERN COc1cc(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)n(C)n1 ZINC000881238763 1201663558 /nfs/dbraw/zinc/66/35/58/1201663558.db2.gz JVRGDFOVSNWYJX-UHFFFAOYSA-N 0 0 347.419 2.037 10 10 EECERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC000928710320 1206413628 /nfs/dbraw/zinc/41/36/28/1206413628.db2.gz BEQPSUYLHMMGMA-LBPRGKRZSA-N 0 0 326.368 2.451 10 10 EECERN CCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)[nH]c(C)c1C(N)=O ZINC000160052830 1208524712 /nfs/dbraw/zinc/52/47/12/1208524712.db2.gz NBRMJHLKZNDXIK-UHFFFAOYSA-N 0 0 342.443 2.323 10 10 EECERN COC(=O)CN(Cc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779501258 1210401278 /nfs/dbraw/zinc/40/12/78/1210401278.db2.gz RXHVNIPFNJLXKB-NTMALXAHSA-N 0 0 341.363 2.313 10 10 EECERN O=C(/C=C\[C@H]1CCOC1)NCc1cc(Br)ccc1O ZINC000832445720 1215449670 /nfs/dbraw/zinc/44/96/70/1215449670.db2.gz DMRULJMFOOMNSU-GZXOQBQISA-N 0 0 326.190 2.364 10 10 EECERN CS[C@@H](CO)[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000305184426 1216154142 /nfs/dbraw/zinc/15/41/42/1216154142.db2.gz XFEPBVIWBMNTKA-MFKMUULPSA-N 0 0 333.413 2.093 10 10 EECERN Cc1cc(C(=O)CN2C[C@@H]3COC[C@H](C2)O3)c(C)n1-c1ccccc1 ZINC000801589883 1235873695 /nfs/dbraw/zinc/87/36/95/1235873695.db2.gz KOIHFEMTRPXENX-HDICACEKSA-N 0 0 340.423 2.376 10 10 EECERN CO[C@]12CCC[C@@]1(NC(=O)NCc1ccc(N(C)C)cc1)CCO2 ZINC000902901086 1238979439 /nfs/dbraw/zinc/97/94/39/1238979439.db2.gz HMEDQVDINCVMFM-MSOLQXFVSA-N 0 0 333.432 2.238 10 10 EECERN CC[C@@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001487714300 1286332518 /nfs/dbraw/zinc/33/25/18/1286332518.db2.gz LMJBUAKOWNKDEX-VXGBXAGGSA-N 0 0 347.419 2.472 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]2COC[C@@H]2C1 ZINC000851986719 1291943434 /nfs/dbraw/zinc/94/34/34/1291943434.db2.gz FSBLLGUJLVVFCB-IRXDYDNUSA-N 0 0 329.444 2.465 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cn[nH]c3)C2)cc1 ZINC000852229318 1292053086 /nfs/dbraw/zinc/05/30/86/1292053086.db2.gz RHEIQJNCARTNCQ-OCCSQVGLSA-N 0 0 329.404 2.057 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3cn[nH]c3)C2)cc1 ZINC000852229319 1292053346 /nfs/dbraw/zinc/05/33/46/1292053346.db2.gz RHEIQJNCARTNCQ-TZMCWYRMSA-N 0 0 329.404 2.057 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCOC(F)(F)F)C2)cc1 ZINC000852274650 1292075120 /nfs/dbraw/zinc/07/51/20/1292075120.db2.gz RIFSHFCGODRRCI-LLVKDONJSA-N 0 0 347.337 2.110 10 10 EECERN CCO[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852454600 1292118723 /nfs/dbraw/zinc/11/87/23/1292118723.db2.gz POJVBXDBURJBHH-MAUKXSAKSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(O)c(CNC(=O)NCc2c(C3CCC3)cnn2C)c1 ZINC000853737035 1292442906 /nfs/dbraw/zinc/44/29/06/1292442906.db2.gz YDNAWLRGGACRKU-UHFFFAOYSA-N 0 0 344.415 2.401 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC[C@H](C)O3)C2)cc1 ZINC000854126713 1292634760 /nfs/dbraw/zinc/63/47/60/1292634760.db2.gz AGYHWCQAZFFAEM-GRDNDAEWSA-N 0 0 333.432 2.141 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](CCCO)C3)C2)cc1 ZINC000854298233 1292710226 /nfs/dbraw/zinc/71/02/26/1292710226.db2.gz YOWAEEUKHDDNJP-HOTGVXAUSA-N 0 0 347.459 2.078 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC3(CCO)CCC3)C2)cc1 ZINC000854300482 1292710881 /nfs/dbraw/zinc/71/08/81/1292710881.db2.gz UKNFJYZBWAUJDO-HNNXBMFYSA-N 0 0 347.459 2.126 10 10 EECERN CC[C@H](O)CCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300524 1292710901 /nfs/dbraw/zinc/71/09/01/1292710901.db2.gz VCXNUVIVADKKPN-HOCLYGCPSA-N 0 0 335.448 2.124 10 10 EECERN CC[C@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(=O)NC ZINC000854893674 1292982940 /nfs/dbraw/zinc/98/29/40/1292982940.db2.gz BSJOXNIAPGJWHZ-KRWDZBQOSA-N 0 0 327.428 2.277 10 10 EECERN CCc1ncncc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855232351 1293122148 /nfs/dbraw/zinc/12/21/48/1293122148.db2.gz QHIAMNBNIIFVGN-CYBMUJFWSA-N 0 0 326.400 2.056 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccnn3C(C)C)C2)cc1 ZINC000855233125 1293122219 /nfs/dbraw/zinc/12/22/19/1293122219.db2.gz FDTRMBUQXLKGDO-CQSZACIVSA-N 0 0 328.416 2.481 10 10 EECERN Cn1ncc2c1CC(C)(C)CN(C(=O)c1c(F)ccc(O)c1O)C2 ZINC000857342570 1293798432 /nfs/dbraw/zinc/79/84/32/1293798432.db2.gz PUYPEMGEXBAUDO-UHFFFAOYSA-N 0 0 333.363 2.195 10 10 EECERN CCO[C@@H](CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000858881742 1294251858 /nfs/dbraw/zinc/25/18/58/1294251858.db2.gz GDKPWGNQNVLIBY-KRWDZBQOSA-N 0 0 340.489 2.329 10 10 EECERN COc1ccc(N2CCC(NC(=O)NC[C@H]3C[C@@H](OC)C3)CC2)cc1 ZINC000859010381 1294291944 /nfs/dbraw/zinc/29/19/44/1294291944.db2.gz XJJCRDGOOJDYAA-UJKQEGAGSA-N 0 0 347.459 2.388 10 10 EECERN COC(=O)c1oc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C ZINC000860697203 1295068495 /nfs/dbraw/zinc/06/84/95/1295068495.db2.gz PSXBNICEXOECNY-JTQLQIEISA-N 0 0 333.340 2.147 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2C[C@@](C)(O)C2)cc1 ZINC000862010178 1295652501 /nfs/dbraw/zinc/65/25/01/1295652501.db2.gz QJUDSTHKPXJBQI-MSEWRSJXSA-N 0 0 340.423 2.479 10 10 EECERN CN(C)c1cc(F)c(CN2CCO[C@@]3(CCCOC3)C2)cc1F ZINC000862362964 1295805008 /nfs/dbraw/zinc/80/50/08/1295805008.db2.gz HYQITGZKWRCANI-KRWDZBQOSA-N 0 0 326.387 2.412 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc3[nH]c(C)nc32)c1 ZINC000797942886 1304889047 /nfs/dbraw/zinc/88/90/47/1304889047.db2.gz KIAFSKITAJKWNJ-SECBINFHSA-N 0 0 326.356 2.472 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCO[C@@]3(CCSC3)C2)cc1OC ZINC001118186151 1306311104 /nfs/dbraw/zinc/31/11/04/1306311104.db2.gz COAYQSNPUZGEKZ-HNNXBMFYSA-N 0 0 340.401 2.324 10 10 EECERN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001139200330 1314716893 /nfs/dbraw/zinc/71/68/93/1314716893.db2.gz GFSVCCMITHLWHT-GOSISDBHSA-N 0 0 335.400 2.078 10 10 EECERN Cc1cc(O)c(CN2CCN(c3nc(N)ns3)CC2)c(Cl)c1 ZINC000840919336 1315435999 /nfs/dbraw/zinc/43/59/99/1315435999.db2.gz CKBRFZOSVVUMHH-UHFFFAOYSA-N 0 0 339.852 2.110 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001151151050 1316461410 /nfs/dbraw/zinc/46/14/10/1316461410.db2.gz FCHWLIMDGGQQNQ-UHFFFAOYSA-N 0 0 344.293 2.378 10 10 EECERN Cc1cc(C(=O)N2CCN(C)[C@@H](CO)C2)c(C)n1-c1ccccc1C ZINC001151358946 1316512629 /nfs/dbraw/zinc/51/26/29/1316512629.db2.gz KKNIYAIVJIMPNP-QGZVFWFLSA-N 0 0 341.455 2.151 10 10 EECERN Cc1cc(C(=O)N2CCN(C)[C@H](CO)C2)c(C)n1-c1ccccc1C ZINC001151358945 1316512883 /nfs/dbraw/zinc/51/28/83/1316512883.db2.gz KKNIYAIVJIMPNP-KRWDZBQOSA-N 0 0 341.455 2.151 10 10 EECERN Cn1c(C(=O)N2Cc3cccc(O)c3C2)cc(Br)c1C=O ZINC001152572421 1316691612 /nfs/dbraw/zinc/69/16/12/1316691612.db2.gz DFOXEWDHPDRWTF-UHFFFAOYSA-N 0 0 349.184 2.462 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cc(Br)ccc1O ZINC001153792943 1316884646 /nfs/dbraw/zinc/88/46/46/1316884646.db2.gz VZTQFXPDFMXZSU-UHFFFAOYSA-N 0 0 338.157 2.496 10 10 EECERN Nc1c(Cl)cc(C(=O)NCc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC001294869849 1329175318 /nfs/dbraw/zinc/17/53/18/1329175318.db2.gz NVKOKPYIEXGTPW-UHFFFAOYSA-N 0 0 337.719 2.172 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)n[nH]2)c1 ZINC001294936623 1329765621 /nfs/dbraw/zinc/76/56/21/1329765621.db2.gz IBYJJZPDEUUGGH-ZETCQYMHSA-N 0 0 340.177 2.377 10 10 EECERN CCC1(C(=O)NCCCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001491734815 1330235312 /nfs/dbraw/zinc/23/53/12/1330235312.db2.gz OAXREUJKFPLRSM-UHFFFAOYSA-N 0 0 345.403 2.275 10 10 EECERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1c(O)cccc1O ZINC001304050447 1331375159 /nfs/dbraw/zinc/37/51/59/1331375159.db2.gz NEUMIZJTPDODBC-UHFFFAOYSA-N 0 0 349.770 2.381 10 10 EECERN Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC001305559519 1331430323 /nfs/dbraw/zinc/43/03/23/1331430323.db2.gz BTROICJYZOSAAQ-PHIMTYICSA-N 0 0 336.388 2.192 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001327513238 1334306593 /nfs/dbraw/zinc/30/65/93/1334306593.db2.gz KLVZCVSKHLABMN-BCDXTJNWSA-N 0 0 343.471 2.404 10 10 EECERN CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCc1cccc(O)c1O ZINC001331234192 1334983031 /nfs/dbraw/zinc/98/30/31/1334983031.db2.gz NVNACKLWALECOK-UHFFFAOYSA-N 0 0 338.404 2.407 10 10 EECERN O=C(N[C@@H](CO)CC(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC001332071174 1335719535 /nfs/dbraw/zinc/71/95/35/1335719535.db2.gz PEGNAETUCOZADF-SSDOTTSWSA-N 0 0 335.303 2.356 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC/C=C/c2ccccc2)cc1 ZINC001332744104 1335897034 /nfs/dbraw/zinc/89/70/34/1335897034.db2.gz YJVKADKQNMSZNN-RMKNXTFCSA-N 0 0 337.423 2.198 10 10 EECERN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001350316109 1337694364 /nfs/dbraw/zinc/69/43/64/1337694364.db2.gz VYGKBDHGZYTWRP-CQSZACIVSA-N 0 0 334.416 2.141 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001351674761 1337837226 /nfs/dbraw/zinc/83/72/26/1337837226.db2.gz YVQXFSMZTRUYFE-INIZCTEOSA-N 0 0 329.444 2.114 10 10 EECERN COc1ccc(N2CC[C@@H](CN3C(=O)N[C@@](C)(CCF)C3=O)C2)cc1 ZINC000849358403 1339154227 /nfs/dbraw/zinc/15/42/27/1339154227.db2.gz YWMHXHBMZPPTKU-ACJLOTCBSA-N 0 0 349.406 2.192 10 10 EECERN Cc1onc(-c2ccncc2)c1C(=O)NCc1ccc(O)cc1O ZINC001557084770 1342440542 /nfs/dbraw/zinc/44/05/42/1342440542.db2.gz NWKSHOOBLPQOJM-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccn(-c2ccccc2F)n1 ZINC001593739344 1349872138 /nfs/dbraw/zinc/87/21/38/1349872138.db2.gz LIJIJLTZCASXGH-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCC=CO1 ZINC001623928072 1352409038 /nfs/dbraw/zinc/40/90/38/1352409038.db2.gz DIOSBXDWZAFDFO-AWEZNQCLSA-N 0 0 339.775 2.240 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1nc(-c2ccccn2)cs1 ZINC001627805152 1352510577 /nfs/dbraw/zinc/51/05/77/1352510577.db2.gz CPABZTUBVOKOPZ-UHFFFAOYSA-N 0 0 341.392 2.475 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001628667218 1352540200 /nfs/dbraw/zinc/54/02/00/1352540200.db2.gz SANGFYIXLGDEJN-HNNXBMFYSA-N 0 0 331.755 2.444 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC001634149322 1352622696 /nfs/dbraw/zinc/62/26/96/1352622696.db2.gz XGMFMRAUYCSSTB-OAHLLOKOSA-N 0 0 346.427 2.080 10 10 EECERN CC(C)n1cnnc1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001637982848 1352683300 /nfs/dbraw/zinc/68/33/00/1352683300.db2.gz YCROYKPMGROMPD-UHFFFAOYSA-N 0 0 329.364 2.294 10 10 EECERN COC(=O)c1cnc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC001643210992 1352743088 /nfs/dbraw/zinc/74/30/88/1352743088.db2.gz ZQKHNIANHBYXKV-XTULLQBASA-N 0 0 348.380 2.232 10 10 EECERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)N1CC(F)(F)F ZINC001648379030 1353427651 /nfs/dbraw/zinc/42/76/51/1353427651.db2.gz KRMBRRKBYZJIES-PHIMTYICSA-N 0 0 346.349 2.124 10 10 EECERN CCOC(=O)c1cn(CC)nc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001648498400 1353431996 /nfs/dbraw/zinc/43/19/96/1353431996.db2.gz FYMXNQQSEKZMJP-VURMDHGXSA-N 0 0 345.355 2.143 10 10 EECERN COc1ccc(N2CCN(C(=O)COC(=O)/C=C\C(C)C)CC2)cc1 ZINC000785036408 759496135 /nfs/dbraw/zinc/49/61/35/759496135.db2.gz QMKKEWSOUXHRQH-WTKPLQERSA-N 0 0 346.427 2.099 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000067859138 773730280 /nfs/dbraw/zinc/73/02/80/773730280.db2.gz BKYYEMWDRFOTKC-DZGCQCFKSA-N 0 0 346.408 2.050 10 10 EECERN CNS(=O)(=O)CCCSc1ncc(-c2ccccc2)n1C ZINC000103925096 776997371 /nfs/dbraw/zinc/99/73/71/776997371.db2.gz JDASLMVAFPJUJK-UHFFFAOYSA-N 0 0 325.459 2.119 10 10 EECERN CN1C(=O)C(=CN[C@H](c2ccc(Cl)cc2)C2CC2)C(=O)N(C)C1=O ZINC000060865593 790807857 /nfs/dbraw/zinc/80/78/57/790807857.db2.gz LQRSVMQIPHQXRQ-AWEZNQCLSA-N 0 0 347.802 2.315 10 10 EECERN CCc1nc[nH]c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000906419453 783910093 /nfs/dbraw/zinc/91/00/93/783910093.db2.gz KFUSUEIPQXWNHC-ZDUSSCGKSA-N 0 0 328.416 2.300 10 10 EECERN CC[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000817157202 784547777 /nfs/dbraw/zinc/54/77/77/784547777.db2.gz ZWQTYHBABJOJAI-FUHWJXTLSA-N 0 0 347.459 2.280 10 10 EECERN CCc1nnc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)o1 ZINC000819462729 785571651 /nfs/dbraw/zinc/57/16/51/785571651.db2.gz AGQPUZXOZRDAIK-UHFFFAOYSA-N 0 0 325.372 2.365 10 10 EECERN CCn1nc(C)cc1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582281 785593807 /nfs/dbraw/zinc/59/38/07/785593807.db2.gz JRSUNKMXWBVYAM-OAHLLOKOSA-N 0 0 342.443 2.476 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3c[nH]c(=O)cc3C)C2)cc1 ZINC000819584460 785595226 /nfs/dbraw/zinc/59/52/26/785595226.db2.gz JXLGBZFYVXDOKL-CQSZACIVSA-N 0 0 341.411 2.361 10 10 EECERN COC(=O)CCCCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819590248 785599103 /nfs/dbraw/zinc/59/91/03/785599103.db2.gz XNSLQTDUGPOXMT-HNNXBMFYSA-N 0 0 348.443 2.371 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(C)cc(=O)[nH]3)C2)cc1 ZINC000819591921 785599926 /nfs/dbraw/zinc/59/99/26/785599926.db2.gz XUPXRWPTOZULMF-AWEZNQCLSA-N 0 0 341.411 2.361 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCC(C)(C)O1 ZINC000819699173 785646601 /nfs/dbraw/zinc/64/66/01/785646601.db2.gz YJHWXIYXZMGZJW-OAHLLOKOSA-N 0 0 335.400 2.242 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3CCO[C@@H](C)CC3)C2)cc1 ZINC000922950216 788425042 /nfs/dbraw/zinc/42/50/42/788425042.db2.gz FOEGQKNHPUSVRF-JKSUJKDBSA-N 0 0 347.459 2.342 10 10 EECERN COc1cccc(CNC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c1O ZINC000074675850 788997615 /nfs/dbraw/zinc/99/76/15/788997615.db2.gz NSTDGYLTITWTPB-NSHDSACASA-N 0 0 346.431 2.182 10 10 EECERN COC[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000923186116 789083356 /nfs/dbraw/zinc/08/33/56/789083356.db2.gz IAPCCUUMACGCMY-CVEARBPZSA-N 0 0 349.475 2.492 10 10 EECERN COc1ccc(N2CCN(C(=O)Cn3cc(C4CC4)cn3)CC2)cc1 ZINC000844771649 789383539 /nfs/dbraw/zinc/38/35/39/789383539.db2.gz VGHPBGGGCAKMQH-UHFFFAOYSA-N 0 0 340.427 2.118 10 10 EECERN COc1ccc(N2CCCN(C(=O)Nc3nncs3)CC2)cc1 ZINC000056527992 789415091 /nfs/dbraw/zinc/41/50/91/789415091.db2.gz KSJQEJYGXLSDET-UHFFFAOYSA-N 0 0 333.417 2.291 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCn3ccnc32)cc1 ZINC000845226242 789678645 /nfs/dbraw/zinc/67/86/45/789678645.db2.gz LSJUXMFAWMTJMH-MRXNPFEDSA-N 0 0 343.431 2.114 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3C[C@@H](C(N)=O)C3)c2C)cc1 ZINC000846440640 790160592 /nfs/dbraw/zinc/16/05/92/790160592.db2.gz PNTCNFIYAWUXCB-OKILXGFUSA-N 0 0 341.411 2.096 10 10 EECERN Cc1nnnn1-c1ccc(C(=O)NCc2cc(C)ccc2O)c(F)c1 ZINC001147961373 792087903 /nfs/dbraw/zinc/08/79/03/792087903.db2.gz DCYFCZGTCVBVSG-UHFFFAOYSA-N 0 0 341.346 2.054 10 10 EECERN O=C(Cc1ccccc1O[C@H]1CCOC1)NCc1cc(O)ccc1O ZINC001176755008 798570439 /nfs/dbraw/zinc/57/04/39/798570439.db2.gz KDRFIPNOTPFWPA-INIZCTEOSA-N 0 0 343.379 2.124 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cnc(OCC3CC3)cn2)cc1F ZINC000790380838 808641712 /nfs/dbraw/zinc/64/17/12/808641712.db2.gz XMZVEUSBKDWBNS-UHFFFAOYSA-N 0 0 344.390 2.401 10 10 EECERN C[C@@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000792045931 809574992 /nfs/dbraw/zinc/57/49/92/809574992.db2.gz VYUAAVZAJTXLEQ-LZWOXQAQSA-N 0 0 344.459 2.081 10 10 EECERN COc1ccc(CNC(=O)CCc2ccc3c(c2)OCCO3)c(O)c1 ZINC000794378009 810804217 /nfs/dbraw/zinc/80/42/17/810804217.db2.gz WRSHQPHUJDIMPI-UHFFFAOYSA-N 0 0 343.379 2.421 10 10 EECERN C[C@@H](OCC(=O)NCc1ccc(N(C)C)c(F)c1)c1nccn1C ZINC000805171138 811169449 /nfs/dbraw/zinc/16/94/49/811169449.db2.gz JLBIWPIXDOIRNT-GFCCVEGCSA-N 0 0 334.395 2.019 10 10 EECERN C[C@H](NC(=O)N1CCO[C@]2(CCCOC2)C1)c1ccc(N(C)C)cc1 ZINC000805308645 811208043 /nfs/dbraw/zinc/20/80/43/811208043.db2.gz HGAWBMDVLCNFDJ-HNAYVOBHSA-N 0 0 347.459 2.405 10 10 EECERN CC1CCN(c2ccc(CNC(=O)C3(C(=O)N(C)C)CC3)cc2)CC1 ZINC000806822138 812002965 /nfs/dbraw/zinc/00/29/65/812002965.db2.gz VTPCSNXDHQEGOD-UHFFFAOYSA-N 0 0 343.471 2.408 10 10 EECERN CC(=O)C(=O)COC(=O)CCc1ccc(Br)c(C)c1 ZINC000808524637 812693319 /nfs/dbraw/zinc/69/33/19/812693319.db2.gz AYENJUYCAUITNR-UHFFFAOYSA-N 0 0 327.174 2.391 10 10 EECERN CC(=O)C(=O)COC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000808527945 812695037 /nfs/dbraw/zinc/69/50/37/812695037.db2.gz RSKIPODKZSQCDJ-UHFFFAOYSA-N 0 0 338.157 2.174 10 10 EECERN C[C@]1(C(=O)NCc2ccc(O)cc2O)CC(c2ccccc2)=NO1 ZINC001451770090 1097916065 /nfs/dbraw/zinc/91/60/65/1097916065.db2.gz OUVVHLIJCWAYAJ-GOSISDBHSA-N 0 0 326.352 2.297 10 10 EECERN COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001448124727 1104061895 /nfs/dbraw/zinc/06/18/95/1104061895.db2.gz YFXMFHPFWSEGPT-GXFFZTMASA-N 0 0 332.360 2.263 10 10 EECERN COC1(OC)CC2(CN(C(=O)Cc3ccc(O)c(O)c3)[C@H]2C(C)C)C1 ZINC001452561296 1105565566 /nfs/dbraw/zinc/56/55/66/1105565566.db2.gz OSAYGHDIUDJPRS-KRWDZBQOSA-N 0 0 349.427 2.276 10 10 EECERN O=C(CCCNC(=O)NC1CCCCC1)NCc1cccc(O)c1O ZINC001455315331 1108424118 /nfs/dbraw/zinc/42/41/18/1108424118.db2.gz FEJFIMLZZFBLRK-UHFFFAOYSA-N 0 0 349.431 2.126 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001456006651 1109051597 /nfs/dbraw/zinc/05/15/97/1109051597.db2.gz RUWFNCLTIYFEHJ-UHFFFAOYSA-N 0 0 347.802 2.038 10 10 EECERN O=Cc1ccc(C(=O)Nc2c(C3=S=CC=C3)nc3ccccn32)[nH]1 ZINC001468653190 1110478042 /nfs/dbraw/zinc/47/80/42/1110478042.db2.gz PVRZOQRFJYKKHO-UHFFFAOYSA-N 0 0 336.376 2.353 10 10 EECERN COc1ccc(/C=C\C(=O)NCc2ccc(O)cc2O)cc1OC ZINC001469160950 1110486082 /nfs/dbraw/zinc/48/60/82/1110486082.db2.gz GFJMFHMCSBQZOI-YWEYNIOJSA-N 0 0 329.352 2.445 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1nnc2ccccc2n1 ZINC001469247513 1110487790 /nfs/dbraw/zinc/48/77/90/1110487790.db2.gz BDAOMDZUZTZTSV-UHFFFAOYSA-N 0 0 331.335 2.209 10 10 EECERN O=Cc1ccc(OC(F)(F)C(=O)NCc2cccc(O)c2O)cc1 ZINC001471643806 1110526776 /nfs/dbraw/zinc/52/67/76/1110526776.db2.gz JWKGDXZYPWLFCO-UHFFFAOYSA-N 0 0 337.278 2.198 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1nnc(C2CC2)[nH]1 ZINC001544093386 1124139378 /nfs/dbraw/zinc/13/93/78/1124139378.db2.gz DJNXVCCCEUASAA-UHFFFAOYSA-N 0 0 327.432 2.339 10 10 EECERN Cc1cc(N(C)C)ccc1CNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000115521875 237184373 /nfs/dbraw/zinc/18/43/73/237184373.db2.gz HWJWRAFZWGPUJJ-KRWDZBQOSA-N 0 0 341.459 2.424 10 10 EECERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000026401312 463161170 /nfs/dbraw/zinc/16/11/70/463161170.db2.gz UGKHVSJRNMVZRM-MAUKXSAKSA-N 0 0 347.459 2.232 10 10 EECERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173201408 464209352 /nfs/dbraw/zinc/20/93/52/464209352.db2.gz PHUSZDOMAMCEOL-UHFFFAOYSA-N 0 0 342.355 2.403 10 10 EECERN Cn1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccc1=O ZINC000175479756 464558754 /nfs/dbraw/zinc/55/87/54/464558754.db2.gz FIYQJDAFYIRTHN-UHFFFAOYSA-N 0 0 327.384 2.291 10 10 EECERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C)c(O)c1O ZINC000272532872 464648358 /nfs/dbraw/zinc/64/83/58/464648358.db2.gz AVYIJFIITXNYLX-UBHSHLNASA-N 0 0 333.384 2.353 10 10 EECERN COC(=O)c1coc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000184461716 464979033 /nfs/dbraw/zinc/97/90/33/464979033.db2.gz SLDQAMALPAVQDJ-UHFFFAOYSA-N 0 0 328.368 2.379 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1COc2ccc(F)cc2C1 ZINC000366487327 465759498 /nfs/dbraw/zinc/75/94/98/465759498.db2.gz FXFYHVGVYRKNER-HSVJCBRXSA-N 0 0 329.327 2.370 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCOCC4(CCCC4)C3)cc2N1 ZINC000302370129 466134525 /nfs/dbraw/zinc/13/45/25/466134525.db2.gz GLCPAGUQQKYVPG-UHFFFAOYSA-N 0 0 347.371 2.323 10 10 EECERN CN(C)c1ccc(CN2C(=O)[C@@H]3[C@H]4CCC[C@@H]4CN3C2=O)cc1F ZINC000372912564 466635244 /nfs/dbraw/zinc/63/52/44/466635244.db2.gz PWICOESRKUZNOX-WWGRRREGSA-N 0 0 331.391 2.454 10 10 EECERN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@H]1CCNC1=O ZINC000368555487 466668383 /nfs/dbraw/zinc/66/83/83/466668383.db2.gz ICIUHLPKTJQOSH-MRXNPFEDSA-N 0 0 345.443 2.352 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(N2CCOCC2)CCC1 ZINC000373150412 466708302 /nfs/dbraw/zinc/70/83/02/466708302.db2.gz COUDECXZTLKRQE-UHFFFAOYSA-N 0 0 345.487 2.356 10 10 EECERN O=C(OC[C@H]1CCCCN1C(=O)c1cccc(O)c1O)N1CCCC1 ZINC000376382670 466909015 /nfs/dbraw/zinc/90/90/15/466909015.db2.gz IIVWFCHEHBBPCD-CYBMUJFWSA-N 0 0 348.399 2.325 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000611650490 469297956 /nfs/dbraw/zinc/29/79/56/469297956.db2.gz OTDGHLUSHKWJGI-GFCCVEGCSA-N 0 0 326.400 2.006 10 10 EECERN COC(=O)c1cncc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000360156606 534310363 /nfs/dbraw/zinc/31/03/63/534310363.db2.gz JKMPFKPNDQQYNX-UHFFFAOYSA-N 0 0 335.367 2.433 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(OC)n2)c1 ZINC000729049046 576592674 /nfs/dbraw/zinc/59/26/74/576592674.db2.gz KXUSSYLHYJPSEW-LLVKDONJSA-N 0 0 331.372 2.365 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(COC(=O)/C=C/C(C)(C)C)cc2=O ZINC000732403676 577178676 /nfs/dbraw/zinc/17/86/76/577178676.db2.gz CHWHAHUCTZRGBD-VOTSOKGWSA-N 0 0 347.371 2.257 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cccc(-n3cncn3)c2)cc1F ZINC000734429821 577296130 /nfs/dbraw/zinc/29/61/30/577296130.db2.gz YKNHNBZDUSXUNJ-UHFFFAOYSA-N 0 0 339.374 2.402 10 10 EECERN C[C@@H](NC(=O)NCC[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773615740 577354792 /nfs/dbraw/zinc/35/47/92/577354792.db2.gz XVZLBROPDNVEKO-MFKMUULPSA-N 0 0 333.354 2.426 10 10 EECERN O=C(COc1ccc(N2CCCC2)cc1)N1CCOC[C@@H]1C1CC1 ZINC000765533560 577502827 /nfs/dbraw/zinc/50/28/27/577502827.db2.gz BNRPTGYCOQBRCX-GOSISDBHSA-N 0 0 330.428 2.303 10 10 EECERN Cn1ccnc1CNc1ccccc1OCC(=O)Nc1cccnc1 ZINC000767197408 577532242 /nfs/dbraw/zinc/53/22/42/577532242.db2.gz ZNILUSKXGSILCK-UHFFFAOYSA-N 0 0 337.383 2.445 10 10 EECERN CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000751384365 577751429 /nfs/dbraw/zinc/75/14/29/577751429.db2.gz CYNGBRMDOYLVCJ-KRWDZBQOSA-N 0 0 347.484 2.215 10 10 EECERN COC(=O)CN(Cc1c(O)c(C(=O)OC)cc2ccccc21)C1CC1 ZINC000751953421 577763165 /nfs/dbraw/zinc/76/31/65/577763165.db2.gz QKIXQUXPYCAVPY-UHFFFAOYSA-N 0 0 343.379 2.469 10 10 EECERN CC[S@](=O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745841922 577919582 /nfs/dbraw/zinc/91/95/82/577919582.db2.gz VIDXCKJJUHVCCF-QHCPKHFHSA-N 0 0 339.505 2.441 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cccc2n[nH]nc21 ZINC000804733079 675608689 /nfs/dbraw/zinc/60/86/89/675608689.db2.gz IKNRMBFMUYZHLE-UHFFFAOYSA-N 0 0 347.172 2.356 10 10 EECERN O=C(NCc1cc(Br)ccc1O)[C@@H]1C[C@]12CCOC2 ZINC000804735574 675609816 /nfs/dbraw/zinc/60/98/16/675609816.db2.gz FKLDJBLCTARJTQ-FZMZJTMJSA-N 0 0 326.190 2.198 10 10 EECERN CON1CCC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000866898801 681402562 /nfs/dbraw/zinc/40/25/62/681402562.db2.gz YOCOMMFCKJIQQY-KRWDZBQOSA-N 0 0 348.443 2.173 10 10 EECERN COC(=O)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895456555 684606205 /nfs/dbraw/zinc/60/62/05/684606205.db2.gz HHYSDCZGCXCGGV-UHFFFAOYSA-N 0 0 335.381 2.338 10 10 EECERN COc1ccc(N2CCCN(C(=O)[C@H]3CCOC[C@H]3C)CC2)cc1 ZINC000194099904 684905797 /nfs/dbraw/zinc/90/57/97/684905797.db2.gz FFMXKMLEZUGXOC-QAPCUYQASA-N 0 0 332.444 2.407 10 10 EECERN COC(=O)[C@]1(F)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896788623 685246238 /nfs/dbraw/zinc/24/62/38/685246238.db2.gz GMBBKKHAVGZKJU-HNNXBMFYSA-N 0 0 339.344 2.040 10 10 EECERN CC(C)(C)N1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000896800650 685254633 /nfs/dbraw/zinc/25/46/33/685254633.db2.gz SEVNSYNFQCQURT-SNVBAGLBSA-N 0 0 348.424 2.442 10 10 EECERN O=C(NCC1CSC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000923813143 693965391 /nfs/dbraw/zinc/96/53/91/693965391.db2.gz ZMWPYLYWKFJCFJ-HNNXBMFYSA-N 0 0 336.457 2.446 10 10 EECERN COC(=O)[C@@]1(C)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896976301 686019907 /nfs/dbraw/zinc/01/99/07/686019907.db2.gz DJOCEXLPHNJONK-INIZCTEOSA-N 0 0 335.381 2.338 10 10 EECERN COCC[C@@H]1COCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897813712 691779599 /nfs/dbraw/zinc/77/95/99/691779599.db2.gz YPWRJZJCBKUBBT-LLVKDONJSA-N 0 0 337.397 2.190 10 10 EECERN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC000899177153 693647870 /nfs/dbraw/zinc/64/78/70/693647870.db2.gz NOVJQPIEMNEMKP-KEYDSSBGSA-N 0 0 347.392 2.384 10 10 EECERN Cc1cc(C(=O)NCc2ccc(O)cc2O)nc(C(F)(F)F)n1 ZINC001142533627 1188237996 /nfs/dbraw/zinc/23/79/96/1188237996.db2.gz OFBWZONTNSVFCH-UHFFFAOYSA-N 0 0 327.262 2.145 10 10 EECERN CCN(CC)c1ccc(CN(C)S(=O)(=O)[C@@H]2CCO[C@@H]2C)cc1 ZINC000785478522 1196768731 /nfs/dbraw/zinc/76/87/31/1196768731.db2.gz NRZZZUDEUPVTNC-RHSMWYFYSA-N 0 0 340.489 2.472 10 10 EECERN CN(C)c1ccc(CN2C(=O)N[C@@H](Cc3cncs3)C2=O)cc1F ZINC000871892683 1197955650 /nfs/dbraw/zinc/95/56/50/1197955650.db2.gz PYQKOTSVVRLEDN-ZDUSSCGKSA-N 0 0 348.403 2.011 10 10 EECERN COC(=O)c1cccc(COc2ccc(N(C)C)c(C(=O)OC)c2)n1 ZINC000865395609 1198194534 /nfs/dbraw/zinc/19/45/34/1198194534.db2.gz YPRVQJKTMVIPEP-UHFFFAOYSA-N 0 0 344.367 2.300 10 10 EECERN CCO[C@H](C(=O)NCCCSc1nccs1)[C@H]1CCOC1 ZINC000865784981 1198374429 /nfs/dbraw/zinc/37/44/29/1198374429.db2.gz KYIKJDCIZGLCDL-RYUDHWBXSA-N 0 0 330.475 2.183 10 10 EECERN CC(C)N(C[C@H](C)O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000120783412 1198406480 /nfs/dbraw/zinc/40/64/80/1198406480.db2.gz JUKZNJJRRQXXOV-JKSUJKDBSA-N 0 0 349.475 2.385 10 10 EECERN O=C(C1CC1)[C@H]1CN(Cc2ccc(Br)cc2O)CCO1 ZINC000825798571 1199280563 /nfs/dbraw/zinc/28/05/63/1199280563.db2.gz YUWVDTQDCZBLDI-CQSZACIVSA-N 0 0 340.217 2.335 10 10 EECERN O=C(NCCCCF)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000812929194 1201001990 /nfs/dbraw/zinc/00/19/90/1201001990.db2.gz VRYVYCFCCUUGQI-UHFFFAOYSA-N 0 0 337.439 2.444 10 10 EECERN CC(=O)c1cc(F)cc(Cn2cc(-c3cn(C)nc3C)nn2)c1O ZINC000880996019 1201619160 /nfs/dbraw/zinc/61/91/60/1201619160.db2.gz LRRUSIARKMCTCS-UHFFFAOYSA-N 0 0 329.335 2.083 10 10 EECERN COc1cc(NC(=O)NCCCSc2nccs2)n(C)n1 ZINC000881248799 1201664950 /nfs/dbraw/zinc/66/49/50/1201664950.db2.gz QQXXNFSCBTYHRJ-UHFFFAOYSA-N 0 0 327.435 2.189 10 10 EECERN Nc1ccc(NC(=O)C(=O)N2CCC(Cc3nccs3)CC2)cc1 ZINC000868264483 1201778398 /nfs/dbraw/zinc/77/83/98/1201778398.db2.gz NWWXOAXLLNRVFW-UHFFFAOYSA-N 0 0 344.440 2.145 10 10 EECERN COc1cccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000129361471 1201799574 /nfs/dbraw/zinc/79/95/74/1201799574.db2.gz IKEPGLNCQQUAMN-UHFFFAOYSA-N 0 0 328.416 2.498 10 10 EECERN C[C@@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001720093217 1202344741 /nfs/dbraw/zinc/34/47/41/1202344741.db2.gz CHAUPQHNEWOEAY-DGCLKSJQSA-N 0 0 345.403 2.131 10 10 EECERN CCCCCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000826610480 1204588394 /nfs/dbraw/zinc/58/83/94/1204588394.db2.gz IELHWISGMUQFBI-OAHLLOKOSA-N 0 0 347.459 2.087 10 10 EECERN CN(C)c1ccc(CN(C(=O)NC2CC(CC(N)=O)C2)C2CC2)cc1 ZINC000925066415 1206066821 /nfs/dbraw/zinc/06/68/21/1206066821.db2.gz DYMYESVVNFMSEX-UHFFFAOYSA-N 0 0 344.459 2.081 10 10 EECERN c1ncc(-c2cn(Cc3ccc(N4CCOCC4)cc3)nn2)s1 ZINC000900601358 1234546581 /nfs/dbraw/zinc/54/65/81/1234546581.db2.gz OGZFNHRLNOWHOS-UHFFFAOYSA-N 0 0 327.413 2.287 10 10 EECERN COC[C@H]1CCN(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000800901264 1234775759 /nfs/dbraw/zinc/77/57/59/1234775759.db2.gz QFCLZMVTWHNCOR-INIZCTEOSA-N 0 0 347.459 2.296 10 10 EECERN CCc1nc(C)c(CC(=O)NCc2cc(OC)ccc2O)c(C)n1 ZINC000901134553 1235265905 /nfs/dbraw/zinc/26/59/05/1235265905.db2.gz ZUPFYVSXGXVWEO-UHFFFAOYSA-N 0 0 329.400 2.229 10 10 EECERN O=C(NCCCSc1nccs1)N1CCO[C@H](C(F)F)C1 ZINC000802244662 1237160337 /nfs/dbraw/zinc/16/03/37/1237160337.db2.gz ZBJJGJZFQHCPME-VIFPVBQESA-N 0 0 337.417 2.301 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CC=CCC2)cc1F ZINC000803661909 1241196845 /nfs/dbraw/zinc/19/68/45/1241196845.db2.gz OFPMTMUJYPAEQM-AWEZNQCLSA-N 0 0 347.434 2.323 10 10 EECERN CS(=O)(=O)CC1(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000850345279 1277191150 /nfs/dbraw/zinc/19/11/50/1277191150.db2.gz RETCEHWGIMLZCI-UHFFFAOYSA-N 0 0 335.828 2.489 10 10 EECERN C[C@@H]1CC(CNC(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H](C)C1 ZINC000851688179 1277718315 /nfs/dbraw/zinc/71/83/15/1277718315.db2.gz SAAGGDXNJDXQFO-KBPBESRZSA-N 0 0 331.460 2.116 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC000851986713 1291943440 /nfs/dbraw/zinc/94/34/40/1291943440.db2.gz FROLCXZACCAFFA-SJLPKXTDSA-N 0 0 349.475 2.384 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3csnn3)C2)cc1 ZINC000852382363 1292102475 /nfs/dbraw/zinc/10/24/75/1292102475.db2.gz DRWOKGYKHZBBLU-RYUDHWBXSA-N 0 0 347.444 2.186 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](CO)C1CCC1 ZINC000852383545 1292103781 /nfs/dbraw/zinc/10/37/81/1292103781.db2.gz DLURTPMOBZPTDX-KSSFIOAISA-N 0 0 333.476 2.452 10 10 EECERN COC(=O)C=Cc1ccc(N2CCCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000852968499 1292245191 /nfs/dbraw/zinc/24/51/91/1292245191.db2.gz VPRIRCZEWRIOOI-ALCCZGGFSA-N 0 0 342.355 2.457 10 10 EECERN C[C@H](NC(=O)N1CC[C@@H](Cn2ccnn2)C1)c1ccc(N(C)C)cc1 ZINC000854004766 1292579835 /nfs/dbraw/zinc/57/98/35/1292579835.db2.gz VQOCHFIAFXNKJQ-LSDHHAIUSA-N 0 0 342.447 2.137 10 10 EECERN Cc1cc(CC(=O)N(CC(N)=O)C(C)C)c(C)n1-c1ccccc1 ZINC000854239023 1292684239 /nfs/dbraw/zinc/68/42/39/1292684239.db2.gz RZCFBKBHXIAYET-UHFFFAOYSA-N 0 0 327.428 2.359 10 10 EECERN CCOC1CC(N(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854298173 1292709219 /nfs/dbraw/zinc/70/92/19/1292709219.db2.gz XMNKXCAIWPNUEZ-NXVRBGIVSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)Oc3cccnc3)C2)cc1 ZINC000855232644 1293122084 /nfs/dbraw/zinc/12/20/84/1293122084.db2.gz WCUUCLBHLOGXML-LSDHHAIUSA-N 0 0 341.411 2.253 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)C2)cc1 ZINC000855233767 1293122806 /nfs/dbraw/zinc/12/28/06/1293122806.db2.gz MKSHTDNDCBFTCR-SUNYJGFJSA-N 0 0 330.428 2.395 10 10 EECERN O=C(CCOCC1CC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212306 1293446642 /nfs/dbraw/zinc/44/66/42/1293446642.db2.gz KIONZZFTISDMHZ-UHFFFAOYSA-N 0 0 332.444 2.081 10 10 EECERN C[C@@H]1CC[C@@H](NCc2cc(F)c(N(C)C)cc2F)CS1(=O)=O ZINC000858188739 1294037924 /nfs/dbraw/zinc/03/79/24/1294037924.db2.gz BCKLWIQNDFKSIB-ZYHUDNBSSA-N 0 0 332.416 2.086 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cn(C2CC2)nn1 ZINC000861686492 1295506144 /nfs/dbraw/zinc/50/61/44/1295506144.db2.gz BIBKQSSAMPNIHO-UHFFFAOYSA-N 0 0 337.177 2.011 10 10 EECERN CN(C)c1ccc(/C=C/CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000862526202 1295866835 /nfs/dbraw/zinc/86/68/35/1295866835.db2.gz PEPACGAYRJHOEX-ZGQVYYGYSA-N 0 0 334.485 2.417 10 10 EECERN C[C@@H]1CN(c2ccc(CNc3c[nH]c(=O)[nH]c3=O)cc2F)C[C@@H](C)O1 ZINC001115858820 1305840142 /nfs/dbraw/zinc/84/01/42/1305840142.db2.gz CGJCGALLOPDWFE-GHMZBOCLSA-N 0 0 348.378 2.253 10 10 EECERN CCCCCN(CCCOC)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001118950735 1308964249 /nfs/dbraw/zinc/96/42/49/1308964249.db2.gz FYXLLJJSDAEFOY-UHFFFAOYSA-N 0 0 348.443 2.290 10 10 EECERN CC1(C)C[C@@]1(C)CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001119465160 1309081604 /nfs/dbraw/zinc/08/16/04/1309081604.db2.gz PRMWIDXTFRDFNB-FQEVSTJZSA-N 0 0 343.471 2.455 10 10 EECERN O=C1C=CSC1c1nnc(N2CCN(C3CC3)CC2)n1CC1CC1 ZINC001123424520 1310564473 /nfs/dbraw/zinc/56/44/73/1310564473.db2.gz PMEFNYLGHKKXJK-UHFFFAOYSA-N 0 0 345.472 2.407 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1CCC[C@@H]1O ZINC000840483798 1315369499 /nfs/dbraw/zinc/36/94/99/1315369499.db2.gz LGNGAMKCCHBIEJ-KYJSFNMBSA-N 0 0 333.476 2.452 10 10 EECERN Cc1cc(O)c(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000840909278 1315433629 /nfs/dbraw/zinc/43/36/29/1315433629.db2.gz FZQDQMREOIEJAO-MRXNPFEDSA-N 0 0 338.835 2.177 10 10 EECERN CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000841139261 1315487116 /nfs/dbraw/zinc/48/71/16/1315487116.db2.gz QJZWNNAJJGUZHS-MRXNPFEDSA-N 0 0 338.411 2.295 10 10 EECERN COC(=O)c1ccnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000841187609 1315500755 /nfs/dbraw/zinc/50/07/55/1315500755.db2.gz YFDMSTRDNCVQPY-LBPRGKRZSA-N 0 0 327.384 2.425 10 10 EECERN C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841985009 1315647247 /nfs/dbraw/zinc/64/72/47/1315647247.db2.gz GTOJLNVTCRKDFW-QPUJVOFHSA-N 0 0 332.231 2.496 10 10 EECERN COc1cccc([C@@H](O)C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142727873 1315717777 /nfs/dbraw/zinc/71/77/77/1315717777.db2.gz HNTWTJYIAKANDJ-GOSISDBHSA-N 0 0 338.363 2.299 10 10 EECERN CC[C@@H](C)C(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001293155571 1328621154 /nfs/dbraw/zinc/62/11/54/1328621154.db2.gz HGBJSQKOMQOTTM-LLVKDONJSA-N 0 0 333.392 2.131 10 10 EECERN COCCOCc1cc(C(=O)NCc2cc(O)ccc2O)ccc1F ZINC001153885359 1316908435 /nfs/dbraw/zinc/90/84/35/1316908435.db2.gz MJVHAHOLVXMSQS-UHFFFAOYSA-N 0 0 349.358 2.330 10 10 EECERN Cc1cccnc1OC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001156668186 1318150838 /nfs/dbraw/zinc/15/08/38/1318150838.db2.gz MQIMSKJJGGKQJE-UHFFFAOYSA-N 0 0 342.395 2.414 10 10 EECERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001293599495 1328758107 /nfs/dbraw/zinc/75/81/07/1328758107.db2.gz YCBPUNPJKNSKTR-OCCSQVGLSA-N 0 0 345.403 2.226 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)NCCOCCCO)c2C)cc1 ZINC001258105860 1319172622 /nfs/dbraw/zinc/17/26/22/1319172622.db2.gz ROCMUNZTMQAKLO-UHFFFAOYSA-N 0 0 346.427 2.232 10 10 EECERN O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1)c1ccccc1 ZINC001293916897 1328838779 /nfs/dbraw/zinc/83/87/79/1328838779.db2.gz HTKWZXQZKAKVBE-ZDUSSCGKSA-N 0 0 330.409 2.488 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2cn(C3CCC3)nn2)cc1 ZINC001164175849 1321309513 /nfs/dbraw/zinc/30/95/13/1321309513.db2.gz LNVRPAVFVYYIBR-UHFFFAOYSA-N 0 0 327.348 2.096 10 10 EECERN O=C(C(=O)N1CCC[C@H](C2CCC2)C1)N1Cc2cccc(O)c2C1 ZINC001261867822 1322190762 /nfs/dbraw/zinc/19/07/62/1322190762.db2.gz RQERYQMGODIAIA-AWEZNQCLSA-N 0 0 328.412 2.273 10 10 EECERN C[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)c2ncnn21 ZINC001262201075 1322254069 /nfs/dbraw/zinc/25/40/69/1322254069.db2.gz NHGPVDDXJMGIBJ-CXAGYDPISA-N 0 0 327.432 2.035 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1c(F)cccc1-n1cccn1 ZINC001294909503 1329762975 /nfs/dbraw/zinc/76/29/75/1329762975.db2.gz QGNPLCDTAYUKNY-UHFFFAOYSA-N 0 0 341.342 2.395 10 10 EECERN CCN(CCNC(=O)C(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001296267736 1329878336 /nfs/dbraw/zinc/87/83/36/1329878336.db2.gz BARASTOMQZAACO-UHFFFAOYSA-N 0 0 333.392 2.083 10 10 EECERN Cc1ccc(C(=O)Nc2cccc3c2CCN(C)C3=O)c(O)c1O ZINC001300949835 1331284678 /nfs/dbraw/zinc/28/46/78/1331284678.db2.gz VMSUOOICFUHMDL-UHFFFAOYSA-N 0 0 326.352 2.287 10 10 EECERN C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1ccccc1O ZINC001302530129 1331328358 /nfs/dbraw/zinc/32/83/58/1331328358.db2.gz AYUDESPMADGWPT-ZYHUDNBSSA-N 0 0 333.413 2.431 10 10 EECERN O=C(NCc1cccc(O)c1O)c1nscc1Br ZINC001303194932 1331348456 /nfs/dbraw/zinc/34/84/56/1331348456.db2.gz MMPCAWPZNSMYOF-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN COC(=O)C12CCC(C(=O)NCc3c(O)cccc3O)(CC1)CC2 ZINC001304053604 1331375633 /nfs/dbraw/zinc/37/56/33/1331375633.db2.gz PJDQHRYMWGFERN-UHFFFAOYSA-N 0 0 333.384 2.228 10 10 EECERN Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001304870228 1331401220 /nfs/dbraw/zinc/40/12/20/1331401220.db2.gz YCIMSFRKSAIPTM-PXAZEXFGSA-N 0 0 347.438 2.047 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1[O-] ZINC000903955335 1331618689 /nfs/dbraw/zinc/61/86/89/1331618689.db2.gz PHUQTWBSEMVKPQ-VIFPVBQESA-N 0 0 335.738 2.288 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC001321365441 1333086494 /nfs/dbraw/zinc/08/64/94/1333086494.db2.gz XAIJNRRQHARVSE-QZTJIDSGSA-N 0 0 337.423 2.041 10 10 EECERN C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC001323501298 1333477651 /nfs/dbraw/zinc/47/76/51/1333477651.db2.gz LIIBFHLDKOJMSI-WWGRRREGSA-N 0 0 335.423 2.136 10 10 EECERN C[C@@H]1CC=CC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001341095667 1337280708 /nfs/dbraw/zinc/28/07/08/1337280708.db2.gz XEUPPTGMUHIRDB-CRAIPNDOSA-N 0 0 339.439 2.150 10 10 EECERN O=C(C(=O)N1CC[C@@H]2CCCC[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC001351811615 1337852065 /nfs/dbraw/zinc/85/20/65/1337852065.db2.gz YKUYAEQWEIDROP-KBPBESRZSA-N 0 0 328.412 2.273 10 10 EECERN COc1ccn2c(c1)ncc2C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001356251923 1338810223 /nfs/dbraw/zinc/81/02/23/1338810223.db2.gz YHZQGADAHRQFMS-UHFFFAOYSA-N 0 0 342.374 2.478 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](c3ncccn3)C2)cc1OC ZINC001612966265 1352312745 /nfs/dbraw/zinc/31/27/45/1352312745.db2.gz BTJFTDKFWXICMP-LLVKDONJSA-N 0 0 330.344 2.396 10 10 EECERN CS(=O)(=O)c1ccc2ncnc(NCc3c(O)cccc3O)c2c1 ZINC001612966366 1352312753 /nfs/dbraw/zinc/31/27/53/1352312753.db2.gz CKVFXPMXCUWIAG-UHFFFAOYSA-N 0 0 345.380 2.057 10 10 EECERN C/C=C(/C)C(=O)N(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001572247637 1343444453 /nfs/dbraw/zinc/44/44/53/1343444453.db2.gz PTLJZSFUFNZBFS-ASBHMNMASA-N 0 0 345.403 2.392 10 10 EECERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)NCc1c(O)cccc1O ZINC001597579403 1349928097 /nfs/dbraw/zinc/92/80/97/1349928097.db2.gz MCWYLVDQJFRDDN-LLVKDONJSA-N 0 0 326.352 2.230 10 10 EECERN COC(=O)[C@@]1(C(=O)NCc2c(O)cccc2O)C[C@@H]1c1ccccc1 ZINC001597578723 1349928183 /nfs/dbraw/zinc/92/81/83/1349928183.db2.gz BPDIAIZLLLUHGU-KUHUBIRLSA-N 0 0 341.363 2.061 10 10 EECERN Cc1ccc(C(=O)NCC(=O)NCc2cccc(Cl)c2O)s1 ZINC001606861095 1351367471 /nfs/dbraw/zinc/36/74/71/1351367471.db2.gz XSIRUCHMJQAMCX-UHFFFAOYSA-N 0 0 338.816 2.462 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001623574192 1352400443 /nfs/dbraw/zinc/40/04/43/1352400443.db2.gz LLWZMHRJTADWDB-UHFFFAOYSA-N 0 0 348.355 2.358 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc([N+](=O)[O-])n[nH]1 ZINC001625656634 1352454405 /nfs/dbraw/zinc/45/44/05/1352454405.db2.gz DBNIMFDBHJJSOH-UHFFFAOYSA-N 0 0 349.310 2.280 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCn1ccccc1=O ZINC001627026571 1352481027 /nfs/dbraw/zinc/48/10/27/1352481027.db2.gz OLBQSUIWPFUGMW-UHFFFAOYSA-N 0 0 335.400 2.136 10 10 EECERN O=C(C[C@@H]1CCC(=O)NC1)N(Cc1ccco1)Cc1ccccc1O ZINC001629943790 1352560957 /nfs/dbraw/zinc/56/09/57/1352560957.db2.gz PKMWEQICZCUDGX-AWEZNQCLSA-N 0 0 342.395 2.430 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001632696211 1352601009 /nfs/dbraw/zinc/60/10/09/1352601009.db2.gz QPOWUFXSRYGHEI-DLBZAZTESA-N 0 0 341.407 2.265 10 10 EECERN CCOc1nc2cc(C(=O)NCc3cccc(O)c3O)ccc2[nH]1 ZINC001637045869 1352671604 /nfs/dbraw/zinc/67/16/04/1352671604.db2.gz LHKJBIXHZIISFO-UHFFFAOYSA-N 0 0 327.340 2.303 10 10 EECERN CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1c(O)cccc1O ZINC001639288886 1352696469 /nfs/dbraw/zinc/69/64/69/1352696469.db2.gz AMXNPPDJTVOGKZ-UHFFFAOYSA-N 0 0 349.408 2.210 10 10 EECERN Nc1ncc(C(=O)NCc2c(O)ccc3ccccc32)cc1[N+](=O)[O-] ZINC001639387731 1352697900 /nfs/dbraw/zinc/69/79/00/1352697900.db2.gz PVEJFCRCVFFPSV-UHFFFAOYSA-N 0 0 338.323 2.361 10 10 EECERN Cc1c2ccccc2c(=O)oc1C(=O)NCc1cccc(O)c1O ZINC001644711333 1352767399 /nfs/dbraw/zinc/76/73/99/1352767399.db2.gz XXEYCTDXWXUDPG-UHFFFAOYSA-N 0 0 325.320 2.443 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1c(O)cnc2c(F)cccc21 ZINC001644753781 1352768260 /nfs/dbraw/zinc/76/82/60/1352768260.db2.gz JOOVLQUWAABMSG-UHFFFAOYSA-N 0 0 328.299 2.421 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2C[C@@H]2CCCO2)cc1 ZINC001648008260 1353413112 /nfs/dbraw/zinc/41/31/12/1353413112.db2.gz KOJTVGBEYJOITC-CABCVRRESA-N 0 0 346.387 2.259 10 10 EECERN COC(=O)c1nccc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC001650176035 1353760381 /nfs/dbraw/zinc/76/03/81/1353760381.db2.gz ZPBNEIVJGYTMEX-UHFFFAOYSA-N 0 0 335.367 2.433 10 10 EECERN O=C(c1cccc(C(=O)N2Cc3cccc(O)c3C2)n1)N1CCCC1 ZINC001650674452 1354026690 /nfs/dbraw/zinc/02/66/90/1354026690.db2.gz CRYOFYPCAOJPAO-UHFFFAOYSA-N 0 0 337.379 2.179 10 10 EECERN CC(=O)N1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)c2ccccc21 ZINC001650885840 1354032424 /nfs/dbraw/zinc/03/24/24/1354032424.db2.gz GLOMACMIBCWJKA-ZDUSSCGKSA-N 0 0 344.342 2.465 10 10 EECERN Cc1nnc2n1CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]2C ZINC001671851731 1356425247 /nfs/dbraw/zinc/42/52/47/1356425247.db2.gz IZZKPUKDHASXFR-OLZOCXBDSA-N 0 0 342.447 2.500 10 10 EECERN Cc1nnc2n1CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]2C ZINC001671851733 1356425650 /nfs/dbraw/zinc/42/56/50/1356425650.db2.gz IZZKPUKDHASXFR-STQMWFEESA-N 0 0 342.447 2.500 10 10 EECERN NC(=O)[C@H]1CC[C@H](CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC001682150870 1358148703 /nfs/dbraw/zinc/14/87/03/1358148703.db2.gz LJMGODBGLGRQPD-XYPYZODXSA-N 0 0 339.823 2.137 10 10 EECERN C[C@@H]1CCCc2nc(S(=O)(=O)NCc3c(O)cccc3F)cn21 ZINC000921450916 773381634 /nfs/dbraw/zinc/38/16/34/773381634.db2.gz HKFSPGWGJLPSHF-SNVBAGLBSA-N 0 0 339.392 2.104 10 10 EECERN C[C@@H](NC(=O)C(=O)N1CCC12CCCC2)c1ccc(N(C)C)cc1 ZINC000846731120 790474973 /nfs/dbraw/zinc/47/49/73/790474973.db2.gz CCOCEVTZXCPOFE-CQSZACIVSA-N 0 0 329.444 2.475 10 10 EECERN COC(=O)COc1ccc(N(C)Cc2nnc(C)n2C2CC2)cc1 ZINC000183793295 781771892 /nfs/dbraw/zinc/77/18/92/781771892.db2.gz ACIWUWZJGLCGJC-UHFFFAOYSA-N 0 0 330.388 2.110 10 10 EECERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccnn1C ZINC000817514706 784832375 /nfs/dbraw/zinc/83/23/75/784832375.db2.gz BJWHIOAFQHGSQZ-OAHLLOKOSA-N 0 0 342.443 2.019 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCCOCC3)C2)cc1 ZINC000819590343 785599197 /nfs/dbraw/zinc/59/91/97/785599197.db2.gz YINRAUWRFNAWHA-HOTGVXAUSA-N 0 0 332.444 2.454 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1c[nH]c(=O)cc1C ZINC000819696907 785645628 /nfs/dbraw/zinc/64/56/28/785645628.db2.gz HSQKJKHUZAEHDA-UHFFFAOYSA-N 0 0 344.367 2.007 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]2C(F)(F)F)cc1 ZINC000821270284 786648013 /nfs/dbraw/zinc/64/80/13/786648013.db2.gz KMUHDUFQLUKNMZ-AWEZNQCLSA-N 0 0 329.366 2.348 10 10 EECERN Cc1cc(CC(=O)NCC(C)(C)C(N)=O)c(C)n1-c1ccccc1 ZINC000822433598 787198822 /nfs/dbraw/zinc/19/88/22/787198822.db2.gz UGZALADWDJODKO-UHFFFAOYSA-N 0 0 327.428 2.264 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC000911303464 787367049 /nfs/dbraw/zinc/36/70/49/787367049.db2.gz JCWGFROEKJXSCU-BBRMVZONSA-N 0 0 335.400 2.099 10 10 EECERN C[C@@H](NC(=O)c1cn(C)nc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000822786611 787377800 /nfs/dbraw/zinc/37/78/00/787377800.db2.gz UAAAZVQXDMTWJK-GFCCVEGCSA-N 0 0 348.834 2.401 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC(C2CC2)C1 ZINC000823524368 787786321 /nfs/dbraw/zinc/78/63/21/787786321.db2.gz RPLDVSKNYRMPTL-UHFFFAOYSA-N 0 0 329.444 2.199 10 10 EECERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000823661671 787860039 /nfs/dbraw/zinc/86/00/39/787860039.db2.gz BITOKGCSDCVKAS-XOKHGSTOSA-N 0 0 332.444 2.307 10 10 EECERN CN1CCCc2cc(CNC(=O)c3cn(CC4CC4)nn3)ccc21 ZINC000825511661 788660098 /nfs/dbraw/zinc/66/00/98/788660098.db2.gz ZGASAQWGNHALGW-UHFFFAOYSA-N 0 0 325.416 2.001 10 10 EECERN COCCc1cc(NC(=O)NCc2cc(Cl)ccc2O)n(C)n1 ZINC000844564150 789210874 /nfs/dbraw/zinc/21/08/74/789210874.db2.gz ZSRHNTWKLZZNDF-UHFFFAOYSA-N 0 0 338.795 2.290 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCNC(=O)CC12CCC2 ZINC000913818365 794337026 /nfs/dbraw/zinc/33/70/26/794337026.db2.gz ZDEJHAYHZXECGO-UHFFFAOYSA-N 0 0 346.408 2.197 10 10 EECERN O=C(CCOCC(F)(F)C(F)F)NCc1cc(O)ccc1O ZINC001176755560 798571092 /nfs/dbraw/zinc/57/10/92/798571092.db2.gz QXECSHZFIQRZRZ-UHFFFAOYSA-N 0 0 325.258 2.021 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC=C[C@@H]2CO)CCCC1 ZINC000922281983 800253084 /nfs/dbraw/zinc/25/30/84/800253084.db2.gz BLNJVCQODKXSTF-CQSZACIVSA-N 0 0 340.423 2.288 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)NCCCC2CC2)cc1 ZINC000788966392 807777227 /nfs/dbraw/zinc/77/72/27/807777227.db2.gz KXHXSVHXAIRJNL-UHFFFAOYSA-N 0 0 331.460 2.455 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)Cc2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000790298012 808568813 /nfs/dbraw/zinc/56/88/13/808568813.db2.gz VMSAFCCGKLHGAK-VURMDHGXSA-N 0 0 344.371 2.459 10 10 EECERN CCOC(=O)/C(=C/c1cnnn1Cc1ccccc1)c1nccn1C ZINC000792884883 810053434 /nfs/dbraw/zinc/05/34/34/810053434.db2.gz MCIAPMXEQNZPKM-LFIBNONCSA-N 0 0 337.383 2.164 10 10 EECERN COC(=O)c1ccc(C(=O)NCc2ccc(OC)cc2O)cc1F ZINC000794378290 810804907 /nfs/dbraw/zinc/80/49/07/810804907.db2.gz RRINMLXRPLCUTG-UHFFFAOYSA-N 0 0 333.315 2.257 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001129819312 811002365 /nfs/dbraw/zinc/00/23/65/811002365.db2.gz IALKLCLJQCCPGL-BMFZPTHFSA-N 0 0 331.460 2.010 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 ZINC000808499202 812668283 /nfs/dbraw/zinc/66/82/83/812668283.db2.gz NWQIMVYDIZURIX-UHFFFAOYSA-N 0 0 331.349 2.315 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000808507031 812679397 /nfs/dbraw/zinc/67/93/97/812679397.db2.gz ZCNJUHMYTQVFFN-SNVBAGLBSA-N 0 0 343.173 2.226 10 10 EECERN CC(=O)C(=O)COC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000808514125 812683847 /nfs/dbraw/zinc/68/38/47/812683847.db2.gz VHUJSLZKVQGDGV-UHFFFAOYSA-N 0 0 346.408 2.214 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000808532286 812702755 /nfs/dbraw/zinc/70/27/55/812702755.db2.gz QXMMJLYKWATEFR-VIFPVBQESA-N 0 0 327.174 2.329 10 10 EECERN CC(=O)C(=O)COC(=O)c1nc2ccccc2cc1Br ZINC000808703206 812814454 /nfs/dbraw/zinc/81/44/54/812814454.db2.gz JKHCIFXSWHEESW-UHFFFAOYSA-N 0 0 336.141 2.312 10 10 EECERN C=CC(=O)Nc1ccc(O)c(C(=O)NCc2cccc(OC)c2O)c1 ZINC001445968309 1091923378 /nfs/dbraw/zinc/92/33/78/1091923378.db2.gz LWBJCCAYMSTCGH-UHFFFAOYSA-N 0 0 342.351 2.161 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2COc3ccccc3C2=O)cc1 ZINC001446188680 1092265478 /nfs/dbraw/zinc/26/54/78/1092265478.db2.gz HPIBZZRFLPJKMF-ZDUSSCGKSA-N 0 0 338.323 2.223 10 10 EECERN COCn1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC001450709544 1095106738 /nfs/dbraw/zinc/10/67/38/1095106738.db2.gz RABVIGOGUAYAAB-UHFFFAOYSA-N 0 0 348.366 2.449 10 10 EECERN COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1cc(F)ccc1F ZINC001442964231 1097386198 /nfs/dbraw/zinc/38/61/98/1097386198.db2.gz GBQCBIICGJPXOJ-CYBMUJFWSA-N 0 0 337.278 2.020 10 10 EECERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1noc(C(F)(F)F)n1 ZINC001452061823 1098166355 /nfs/dbraw/zinc/16/63/55/1098166355.db2.gz GVZHVIPBYFIJGS-YSCPKTQFSA-N 0 0 343.261 2.390 10 10 EECERN Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cnc1C ZINC001455231169 1108320678 /nfs/dbraw/zinc/32/06/78/1108320678.db2.gz ZWETVKWZYURJNW-UHFFFAOYSA-N 0 0 335.385 2.028 10 10 EECERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1cc(O)ccc1O ZINC001455357460 1108474935 /nfs/dbraw/zinc/47/49/35/1108474935.db2.gz RFVYGLDRJNTGIL-UHFFFAOYSA-N 0 0 349.770 2.381 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc2c(c1)NC(=O)CCS2 ZINC001456235860 1109118333 /nfs/dbraw/zinc/11/83/33/1109118333.db2.gz NHGPFVQMUNIOOG-UHFFFAOYSA-N 0 0 344.392 2.462 10 10 EECERN COC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)s1 ZINC001457876904 1109806611 /nfs/dbraw/zinc/80/66/11/1109806611.db2.gz QMFFNFPYMGRCHB-UHFFFAOYSA-N 0 0 325.317 2.015 10 10 EECERN O=C(NC[C@H]1CC(=O)c2ccccc2O1)c1c(F)ccc(O)c1O ZINC001457973156 1109818715 /nfs/dbraw/zinc/81/87/15/1109818715.db2.gz OVQYPASZABUSGY-SECBINFHSA-N 0 0 331.299 2.001 10 10 EECERN Cn1cc([N+](=O)[O-])c(NCc2ccc(N3CCSCC3)cc2)n1 ZINC001458104695 1109832510 /nfs/dbraw/zinc/83/25/10/1109832510.db2.gz JBZTUSDTCSCPEB-UHFFFAOYSA-N 0 0 333.417 2.494 10 10 EECERN CSc1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(=O)[nH]1 ZINC001465409482 1110417051 /nfs/dbraw/zinc/41/70/51/1110417051.db2.gz WXWPVUNCJJOVMF-UHFFFAOYSA-N 0 0 346.412 2.009 10 10 EECERN CC1([C@@H]2CCCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)OCCO1 ZINC001466321163 1110433415 /nfs/dbraw/zinc/43/34/15/1110433415.db2.gz KDCWDVQJNPJWKP-CYBMUJFWSA-N 0 0 346.387 2.464 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001466790297 1110443809 /nfs/dbraw/zinc/44/38/09/1110443809.db2.gz FKNPRHXDUXOOSJ-NSHDSACASA-N 0 0 342.395 2.438 10 10 EECERN COc1ncc(/C=C/C(=O)NCc2ccc3cccnc3c2O)cn1 ZINC001469248332 1110487746 /nfs/dbraw/zinc/48/77/46/1110487746.db2.gz GTPJNDACGOQKTG-QPJJXVBHSA-N 0 0 336.351 2.069 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)c1ccc(F)cc1F ZINC001470400119 1110505674 /nfs/dbraw/zinc/50/56/74/1110505674.db2.gz CYBWYZIRULLOIU-OKEUPSHZSA-N 0 0 335.306 2.239 10 10 EECERN CNC(=O)c1cccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001471961077 1110536442 /nfs/dbraw/zinc/53/64/42/1110536442.db2.gz WZMDLFVIXKDLFR-VQHVLOKHSA-N 0 0 326.352 2.134 10 10 EECERN O=C(NCc1c(O)cccc1O)c1c(C(F)F)nc2cnccn21 ZINC001472063697 1110540689 /nfs/dbraw/zinc/54/06/89/1110540689.db2.gz QKFNLSQYPHXLGO-UHFFFAOYSA-N 0 0 334.282 2.008 10 10 EECERN COC(=O)COc1ccc(N(C)C(=O)/C=C(/C)c2cnccn2)cc1 ZINC001522218131 1119342502 /nfs/dbraw/zinc/34/25/02/1119342502.db2.gz LZNJJEAGNGLWBP-RAXLEYEMSA-N 0 0 341.367 2.095 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)c1cccc(-n2cncn2)n1 ZINC001525082027 1120264869 /nfs/dbraw/zinc/26/48/69/1120264869.db2.gz XUROSCCATJFTOQ-UHFFFAOYSA-N 0 0 341.718 2.104 10 10 EECERN COc1ccc(N2CCN(C(=O)NCc3nc(C)cs3)CC2)cc1 ZINC000065401510 214892226 /nfs/dbraw/zinc/89/22/26/214892226.db2.gz ZKNHYVNFIDRWFX-UHFFFAOYSA-N 0 0 346.456 2.492 10 10 EECERN C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000191913756 237279316 /nfs/dbraw/zinc/27/93/16/237279316.db2.gz OZFIZMRWPCKXED-HNAYVOBHSA-N 0 0 346.471 2.327 10 10 EECERN C[C@H](NC(=O)/C=C\c1ccc2c(c1)CCCN2C)c1nncn1C ZINC000096256267 135642882 /nfs/dbraw/zinc/64/28/82/135642882.db2.gz LGYVJYJLOQTANJ-JWJUJFCLSA-N 0 0 325.416 2.088 10 10 EECERN [NH3+][C@H](CO)c1cc(Br)c(F)c(Br)c1[O-] ZINC000072199911 295332071 /nfs/dbraw/zinc/33/20/71/295332071.db2.gz LQQNGUHHUGOCQA-RXMQYKEDSA-N 0 0 328.963 2.048 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000296934958 465240590 /nfs/dbraw/zinc/24/05/90/465240590.db2.gz XFNYDUGGAXIHLZ-KRTXAFLBSA-N 0 0 337.269 2.012 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nncs1 ZINC000044935411 462541224 /nfs/dbraw/zinc/54/12/24/462541224.db2.gz STDMVEPTUYSZIB-UHFFFAOYSA-N 0 0 333.417 2.039 10 10 EECERN COCCOCCCNC(=O)/C=C/c1ccc2c(c1)CCCN2C ZINC000061367243 462582134 /nfs/dbraw/zinc/58/21/34/462582134.db2.gz RRSYLCLUWDDLNN-VQHVLOKHSA-N 0 0 332.444 2.252 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)cc1F ZINC000135596371 463181010 /nfs/dbraw/zinc/18/10/10/463181010.db2.gz IBAAOPPJXMBFTR-MLGOLLRUSA-N 0 0 344.452 2.269 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)C[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000269307123 463948488 /nfs/dbraw/zinc/94/84/88/463948488.db2.gz XFYUXIRSYHSZPI-IOCXFXADSA-N 0 0 336.344 2.026 10 10 EECERN COc1ccccc1N1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000268217665 464977386 /nfs/dbraw/zinc/97/73/86/464977386.db2.gz JGLJIXRVWNXYJD-OAHLLOKOSA-N 0 0 341.411 2.479 10 10 EECERN Cc1cc(C(=O)CN2C[C@H](O)C[C@@H]2CO)c(C)n1-c1ccccc1C ZINC000184738380 465023054 /nfs/dbraw/zinc/02/30/54/465023054.db2.gz ZEVNAQCPIYSKEY-IAGOWNOFSA-N 0 0 342.439 2.013 10 10 EECERN Cc1ccc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)c(O)c1O ZINC000529624490 467888161 /nfs/dbraw/zinc/88/81/61/467888161.db2.gz UKXDEZHFQZHWFP-SNVBAGLBSA-N 0 0 329.278 2.136 10 10 EECERN CN1CCCc2cc(/C=C/C(=O)NCCNc3cnccn3)ccc21 ZINC000061429674 536395054 /nfs/dbraw/zinc/39/50/54/536395054.db2.gz KOWYOSPQWGKXFG-FNORWQNLSA-N 0 0 337.427 2.101 10 10 EECERN C[C@H](NC(=O)NCC[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773615739 577354691 /nfs/dbraw/zinc/35/46/91/577354691.db2.gz XVZLBROPDNVEKO-GXFFZTMASA-N 0 0 333.354 2.426 10 10 EECERN Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)sc2nccn12 ZINC000773741580 577362241 /nfs/dbraw/zinc/36/22/41/577362241.db2.gz KYMUAPBQUBSGLA-VIFPVBQESA-N 0 0 331.397 2.476 10 10 EECERN CCOC[C@H](C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000777696412 577485001 /nfs/dbraw/zinc/48/50/01/577485001.db2.gz XNCQNFFBILWZGO-AWEZNQCLSA-N 0 0 335.448 2.388 10 10 EECERN Cc1nc(N(C)C)nc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000768522698 577557728 /nfs/dbraw/zinc/55/77/28/577557728.db2.gz OCUPDGYHCNJFCL-UHFFFAOYSA-N 0 0 326.448 2.481 10 10 EECERN O=C1N[C@H](Cc2ccccn2)C(=O)N1CCCSc1nccs1 ZINC000761296298 577681342 /nfs/dbraw/zinc/68/13/42/577681342.db2.gz GFLBYDXJIMKYNK-GFCCVEGCSA-N 0 0 348.453 2.183 10 10 EECERN CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(OC)c2O)c1 ZINC000763046206 577713468 /nfs/dbraw/zinc/71/34/68/577713468.db2.gz OCOIJQYRPUNUDJ-UHFFFAOYSA-N 0 0 349.408 2.124 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@H]3CCOC[C@H]3C)CC2)cc1 ZINC000763620476 577723525 /nfs/dbraw/zinc/72/35/25/577723525.db2.gz RYVWTRGMEKWJQF-QAPCUYQASA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N(C)CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)cc1F ZINC000255017299 675267498 /nfs/dbraw/zinc/26/74/98/675267498.db2.gz CDYWEUIKFPTWRN-LBPRGKRZSA-N 0 0 346.406 2.499 10 10 EECERN C[C@H]([NH2+]Cc1cnn(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000806168199 675511322 /nfs/dbraw/zinc/51/13/22/675511322.db2.gz GVWLXPRREZKLJD-ZETCQYMHSA-N 0 0 329.173 2.273 10 10 EECERN COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(C)cc(OC)c1O ZINC000895403314 684594107 /nfs/dbraw/zinc/59/41/07/684594107.db2.gz SMSHIDIZQPKZSX-DZGCQCFKSA-N 0 0 337.416 2.157 10 10 EECERN COC(=O)[C@H](CC1CCOCC1)NCc1cc(C)cc(OC)c1O ZINC000895589949 684652634 /nfs/dbraw/zinc/65/26/34/684652634.db2.gz CPSUJKFLUMPVIN-HNNXBMFYSA-N 0 0 337.416 2.157 10 10 EECERN CC[C@@H](C)NC(=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895805911 684731561 /nfs/dbraw/zinc/73/15/61/684731561.db2.gz JYVHRWJQILAEAS-SECBINFHSA-N 0 0 336.413 2.347 10 10 EECERN COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(F)c(N(C)C)cc1F ZINC000895864388 684746908 /nfs/dbraw/zinc/74/69/08/684746908.db2.gz NVUFNQHBDJIYCH-DOMZBBRYSA-N 0 0 342.386 2.231 10 10 EECERN CC(=O)N(C)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895890708 684765295 /nfs/dbraw/zinc/76/52/95/684765295.db2.gz KELILERVWNDKRK-UHFFFAOYSA-N 0 0 348.424 2.395 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC2(C1)OCCO2 ZINC000897084548 686096202 /nfs/dbraw/zinc/09/62/02/686096202.db2.gz HMRQETVRLGKGHK-UHFFFAOYSA-N 0 0 335.381 2.292 10 10 EECERN C[C@@H](NC(=O)C(=O)N(C)Cc1ccns1)c1ccc(N(C)C)cc1 ZINC000897864787 691805312 /nfs/dbraw/zinc/80/53/12/691805312.db2.gz BPPOAEZXAMZMJD-GFCCVEGCSA-N 0 0 346.456 2.045 10 10 EECERN CC(=O)Nc1cc(F)ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001137464859 1248640494 /nfs/dbraw/zinc/64/04/94/1248640494.db2.gz TTZQZZCBPHQZRB-UHFFFAOYSA-N 0 0 332.331 2.168 10 10 EECERN COc1ccc(CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c(O)c1 ZINC001626079855 1194327487 /nfs/dbraw/zinc/32/74/87/1194327487.db2.gz NGRCJTVZYGQDKS-UHFFFAOYSA-N 0 0 342.273 2.450 10 10 EECERN CCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(OC)cc3O)ccc21 ZINC001626080185 1194327730 /nfs/dbraw/zinc/32/77/30/1194327730.db2.gz ZVKKTRQEOFUBHF-UHFFFAOYSA-N 0 0 341.367 2.406 10 10 EECERN C[C@@H](c1ccnn1C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000865340804 1198177512 /nfs/dbraw/zinc/17/75/12/1198177512.db2.gz YKKCCPKNKNXBOA-JTQLQIEISA-N 0 0 348.790 2.305 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3nnc(C4CC4)o3)CC2)cc1 ZINC000865926123 1198426112 /nfs/dbraw/zinc/42/61/12/1198426112.db2.gz QYWJIQUFKDKPLU-UHFFFAOYSA-N 0 0 342.399 2.354 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](O)Cc1ccccc1 ZINC000813514294 1199062546 /nfs/dbraw/zinc/06/25/46/1199062546.db2.gz ZZGCAJIKORWENI-CZUORRHYSA-N 0 0 329.396 2.139 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CC2(CO1)CCOCC2 ZINC000869443026 1200085772 /nfs/dbraw/zinc/08/57/72/1200085772.db2.gz IVZSLTUMVVMJDN-CTGSTSKSSA-N 0 0 334.368 2.240 10 10 EECERN COc1cc(CN2CC3(C2)CN(C)C(=O)O3)c(O)c(C(C)(C)C)c1 ZINC000826130899 1201303886 /nfs/dbraw/zinc/30/38/86/1201303886.db2.gz MWRDNYQCGQKWAY-UHFFFAOYSA-N 0 0 334.416 2.335 10 10 EECERN CO[C@H](Cc1ccccc1)CS(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690210 1201660122 /nfs/dbraw/zinc/66/01/22/1201660122.db2.gz CVNHIZHHIQDCBH-MRXNPFEDSA-N 0 0 347.436 2.295 10 10 EECERN CO[C@H](CS(=O)(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC000867690220 1201660198 /nfs/dbraw/zinc/66/01/98/1201660198.db2.gz DAXKPJXNIFZVFP-MRXNPFEDSA-N 0 0 325.430 2.243 10 10 EECERN CO[C@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000868130622 1201749917 /nfs/dbraw/zinc/74/99/17/1201749917.db2.gz PBVSQZUWYDRWPQ-QAPCUYQASA-N 0 0 347.459 2.232 10 10 EECERN COC(=O)CC(C)(C)CNC(=O)NCc1cc(Cl)ccc1O ZINC000925000172 1206059342 /nfs/dbraw/zinc/05/93/42/1206059342.db2.gz IHGVQWGATUUFOO-UHFFFAOYSA-N 0 0 328.796 2.434 10 10 EECERN CC(C)O[C@@]1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000925743465 1206148848 /nfs/dbraw/zinc/14/88/48/1206148848.db2.gz HRJDKAVDRIBEFZ-LJQANCHMSA-N 0 0 349.475 2.478 10 10 EECERN COCCCn1cc(C)c(NC(=O)NCc2c(O)cccc2F)n1 ZINC000931598718 1207421672 /nfs/dbraw/zinc/42/16/72/1207421672.db2.gz BONTUFQFGFSAGX-UHFFFAOYSA-N 0 0 336.367 2.394 10 10 EECERN O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000935663034 1208195382 /nfs/dbraw/zinc/19/53/82/1208195382.db2.gz NXAOWKZHFPONMP-SKZKVKIVSA-N 0 0 338.201 2.194 10 10 EECERN CC(C)OC(=O)N1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779517121 1210404156 /nfs/dbraw/zinc/40/41/56/1210404156.db2.gz NGDVQRURVCPQFC-GQCTYLIASA-N 0 0 348.399 2.237 10 10 EECERN C/C(=C/C(=O)NCCCSc1nccs1)CN1CCOCC1 ZINC000900682303 1234652521 /nfs/dbraw/zinc/65/25/21/1234652521.db2.gz FLVFUXMSBWVYCR-QBFSEMIESA-N 0 0 341.502 2.020 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](C(F)F)C1 ZINC000801023807 1234978025 /nfs/dbraw/zinc/97/80/25/1234978025.db2.gz RYOHYYAUGVUQNP-OAHLLOKOSA-N 0 0 337.370 2.238 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCC[S@@](=O)CC ZINC000802188654 1237077773 /nfs/dbraw/zinc/07/77/73/1237077773.db2.gz MQZIWFHGXMKLQM-QFIPXVFZSA-N 0 0 326.462 2.473 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCc3cccnc3)C2)cc1 ZINC000851944488 1291926632 /nfs/dbraw/zinc/92/66/32/1291926632.db2.gz QWPCZBWEACKDRF-INIZCTEOSA-N 0 0 340.427 2.211 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCc2nccnc2C1 ZINC000851987342 1291943372 /nfs/dbraw/zinc/94/33/72/1291943372.db2.gz MFMZEMQCAOPROM-UHFFFAOYSA-N 0 0 337.427 2.345 10 10 EECERN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000852261547 1292069769 /nfs/dbraw/zinc/06/97/69/1292069769.db2.gz RRXKBGJFZWTXKA-TYNCELHUSA-N 0 0 328.420 2.410 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CSC3(C)C)C2)cc1 ZINC000852313236 1292087557 /nfs/dbraw/zinc/08/75/57/1292087557.db2.gz FOHIFEQBDDIKLX-IUODEOHRSA-N 0 0 335.473 2.467 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](CO)C1CCC1 ZINC000852383544 1292103548 /nfs/dbraw/zinc/10/35/48/1292103548.db2.gz DLURTPMOBZPTDX-KDOFPFPSSA-N 0 0 333.476 2.452 10 10 EECERN COc1ccc(N2CCN(c3cc(CO)c(F)cn3)CC2)cc1F ZINC000853434012 1292378670 /nfs/dbraw/zinc/37/86/70/1292378670.db2.gz ZOFJPCZZHONQDQ-UHFFFAOYSA-N 0 0 335.354 2.187 10 10 EECERN COCCC1CN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854187791 1292667031 /nfs/dbraw/zinc/66/70/31/1292667031.db2.gz QYYCUAIZLZMZKI-OAHLLOKOSA-N 0 0 347.459 2.199 10 10 EECERN CCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCCOC1 ZINC000854296345 1292707926 /nfs/dbraw/zinc/70/79/26/1292707926.db2.gz IJIJJRCGHCXHHH-WBVHZDCISA-N 0 0 347.459 2.484 10 10 EECERN CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H](C)CO1 ZINC000854297961 1292709519 /nfs/dbraw/zinc/70/95/19/1292709519.db2.gz YMNGVGBJADWFHT-BFYDXBDKSA-N 0 0 347.459 2.483 10 10 EECERN CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H](O)C(C)C ZINC000854297247 1292709573 /nfs/dbraw/zinc/70/95/73/1292709573.db2.gz LFUSZSHTJPDBHQ-FHLIZLRMSA-N 0 0 349.475 2.369 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@]3(C)CCCOC3)C2)cc1 ZINC000854298649 1292710388 /nfs/dbraw/zinc/71/03/88/1292710388.db2.gz HUVYLNCVLSDYBG-KBXCAEBGSA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](CO)CC(C)C)C2)cc1 ZINC000854299837 1292710973 /nfs/dbraw/zinc/71/09/73/1292710973.db2.gz SDSZFKBGPLOTRN-DOTOQJQBSA-N 0 0 349.475 2.322 10 10 EECERN CC[C@H](C[C@H](C)CO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299926 1292711579 /nfs/dbraw/zinc/71/15/79/1292711579.db2.gz MGPUIEXUCWBCMT-XHSDSOJGSA-N 0 0 349.475 2.370 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@@H](OC)C3)C2)cc1 ZINC000854981234 1293019403 /nfs/dbraw/zinc/01/94/03/1293019403.db2.gz MEUVTTVZTKGQJJ-RVKKMQEKSA-N 0 0 332.444 2.453 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000855020872 1293035855 /nfs/dbraw/zinc/03/58/55/1293035855.db2.gz WTLPAHMQPNKBBA-CQSZACIVSA-N 0 0 342.443 2.118 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C(C)=O)o3)C2)cc1 ZINC000855224923 1293117932 /nfs/dbraw/zinc/11/79/32/1293117932.db2.gz LYNRVYHNYLDREG-CYBMUJFWSA-N 0 0 328.368 2.500 10 10 EECERN CCCNC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228670 1293120789 /nfs/dbraw/zinc/12/07/89/1293120789.db2.gz CQQSNDPKXUODLS-OAHLLOKOSA-N 0 0 347.459 2.087 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)[nH]c3=O)C2)cc1 ZINC000855230489 1293121008 /nfs/dbraw/zinc/12/10/08/1293121008.db2.gz DOPKTXMDHKYLCS-ZDUSSCGKSA-N 0 0 327.384 2.113 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)COc3ccc(O)cc3)C2)cc1 ZINC000855232208 1293121865 /nfs/dbraw/zinc/12/18/65/1293121865.db2.gz QZXPMLOHOQJGDA-CQSZACIVSA-N 0 0 342.395 2.175 10 10 EECERN CCOC(=O)[C@@]1(F)CN(C(=O)C2=CC(=O)CS2)CC12CCC2 ZINC000855239328 1293125193 /nfs/dbraw/zinc/12/51/93/1293125193.db2.gz XSUJWLRSVQLHFA-HNNXBMFYSA-N 0 0 327.377 2.351 10 10 EECERN C=C/C(C)=C/CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000855396778 1293199277 /nfs/dbraw/zinc/19/92/77/1293199277.db2.gz WSYCNGHYVAOWHV-SYZQJQIISA-N 0 0 348.468 2.060 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCC1(O)CCC(F)(F)CC1 ZINC000856202166 1293441888 /nfs/dbraw/zinc/44/18/88/1293441888.db2.gz FHGIETXRTWBEJH-RQOWECAXSA-N 0 0 327.327 2.168 10 10 EECERN CC(C)(C)C[C@H](O)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856216502 1293449039 /nfs/dbraw/zinc/44/90/39/1293449039.db2.gz WPSOEJKJQSVKBB-GOSISDBHSA-N 0 0 348.487 2.451 10 10 EECERN CCN(CC)c1ccc(CNC(=O)COCc2cc[nH]c(=O)c2)cc1 ZINC000858605473 1294166203 /nfs/dbraw/zinc/16/62/03/1294166203.db2.gz UOFIQLHHAZPTPZ-UHFFFAOYSA-N 0 0 343.427 2.466 10 10 EECERN COC(=O)C1=CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000858737656 1294207546 /nfs/dbraw/zinc/20/75/46/1294207546.db2.gz BQMFXWZLJXZDEU-AWEZNQCLSA-N 0 0 344.411 2.332 10 10 EECERN COC(=O)C1=CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000858739437 1294208410 /nfs/dbraw/zinc/20/84/10/1294208410.db2.gz NQNAGYDVKYKDAB-HNNXBMFYSA-N 0 0 331.416 2.122 10 10 EECERN CCO[C@@H](CS(=O)(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000858925688 1294264579 /nfs/dbraw/zinc/26/45/79/1294264579.db2.gz NEACNKILAUDELG-INIZCTEOSA-N 0 0 344.452 2.126 10 10 EECERN COc1ccc(N2CCCN(C(=O)NC[C@H]3C[C@@H](OC)C3)CC2)cc1 ZINC000859009386 1294291275 /nfs/dbraw/zinc/29/12/75/1294291275.db2.gz IYJFGHDCDQJHMF-RHNCMZPLSA-N 0 0 347.459 2.342 10 10 EECERN CC(C)(C)OC(=O)NCCC(=O)NCc1ccc2cccnc2c1O ZINC000862029384 1295662260 /nfs/dbraw/zinc/66/22/60/1295662260.db2.gz XCPFTXTZABFHOI-UHFFFAOYSA-N 0 0 345.399 2.471 10 10 EECERN Cc1ccc(C(=O)NCc2c(C(F)(F)F)cnn2C)c(O)c1O ZINC000862420955 1295842484 /nfs/dbraw/zinc/84/24/84/1295842484.db2.gz CPIKNJRZENDIMM-UHFFFAOYSA-N 0 0 329.278 2.089 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]1C1CC1 ZINC000797434469 1304740767 /nfs/dbraw/zinc/74/07/67/1304740767.db2.gz VVCLJHVACUUOCM-RBUKOAKNSA-N 0 0 343.471 2.493 10 10 EECERN COc1ccc(N2CCN(C(=O)COc3ccsc3)CC2)cc1 ZINC000799856664 1305477284 /nfs/dbraw/zinc/47/72/84/1305477284.db2.gz JAKXTESRLFTBCR-UHFFFAOYSA-N 0 0 332.425 2.484 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C(C)C)C1CC1 ZINC001118626357 1308904378 /nfs/dbraw/zinc/90/43/78/1308904378.db2.gz SOBSRYVLLUDQJW-QGZVFWFLSA-N 0 0 331.460 2.228 10 10 EECERN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001142444232 1315610926 /nfs/dbraw/zinc/61/09/26/1315610926.db2.gz OONKKKOBGGKHMA-OCCSQVGLSA-N 0 0 349.427 2.467 10 10 EECERN COc1cccc(CN[C@H](C(=O)OC(C)(C)C)c2ccnn2C)c1O ZINC000842775641 1315771580 /nfs/dbraw/zinc/77/15/80/1315771580.db2.gz SHYYFRFLHUURTO-HNNXBMFYSA-N 0 0 347.415 2.307 10 10 EECERN COC(=O)[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccnn1C ZINC000843430044 1315913746 /nfs/dbraw/zinc/91/37/46/1315913746.db2.gz MWHIBILABHWARU-RTRPANQVSA-N 0 0 328.416 2.003 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001150378486 1316248334 /nfs/dbraw/zinc/24/83/34/1316248334.db2.gz SBSZPSAMHQYEID-AWEZNQCLSA-N 0 0 341.285 2.466 10 10 EECERN CC(C)NC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC001299573955 1319526409 /nfs/dbraw/zinc/52/64/09/1319526409.db2.gz MCBJYVVJTFEGCP-UHFFFAOYSA-N 0 0 328.368 2.166 10 10 EECERN Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[nH]2)c(O)c1O ZINC001162885211 1320982447 /nfs/dbraw/zinc/98/24/47/1320982447.db2.gz IRBXOMCRRWFDSF-UHFFFAOYSA-N 0 0 333.344 2.337 10 10 EECERN CCNc1cccnc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001263711480 1322506148 /nfs/dbraw/zinc/50/61/48/1322506148.db2.gz CIWOEGOBICEVIB-UHFFFAOYSA-N 0 0 340.427 2.280 10 10 EECERN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC001264286922 1322669202 /nfs/dbraw/zinc/66/92/02/1322669202.db2.gz CWIIOZQBBQQHQG-FUHWJXTLSA-N 0 0 332.444 2.297 10 10 EECERN CC(=O)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001280579358 1324312094 /nfs/dbraw/zinc/31/20/94/1324312094.db2.gz RKGXASUDXQNVFP-UHFFFAOYSA-N 0 0 345.403 2.418 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC001292323540 1328383973 /nfs/dbraw/zinc/38/39/73/1328383973.db2.gz BUHDNCOLGCJVJX-NSHDSACASA-N 0 0 343.309 2.215 10 10 EECERN CC(C)c1nnc(NC(=O)CCC(=O)NCc2ccccc2O)s1 ZINC001294924319 1329764620 /nfs/dbraw/zinc/76/46/20/1329764620.db2.gz ARCBPRHRCZIAQZ-UHFFFAOYSA-N 0 0 348.428 2.402 10 10 EECERN Cc1conc1CN[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001491690867 1330207592 /nfs/dbraw/zinc/20/75/92/1330207592.db2.gz DBTDMRCQEBFMCJ-NSHDSACASA-N 0 0 344.375 2.054 10 10 EECERN C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccccc1O ZINC001302530392 1331328416 /nfs/dbraw/zinc/32/84/16/1331328416.db2.gz NUXFOFSWTDQFAZ-LLVKDONJSA-N 0 0 343.408 2.431 10 10 EECERN O=C(NCc1cc(O)ccc1O)C1(c2ccc3c(c2)OCCO3)CC1 ZINC001303225463 1331350369 /nfs/dbraw/zinc/35/03/69/1331350369.db2.gz IIGAZZALRTXJHL-UHFFFAOYSA-N 0 0 341.363 2.217 10 10 EECERN CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)C1CC1 ZINC001306079633 1331452640 /nfs/dbraw/zinc/45/26/40/1331452640.db2.gz CDKYNAXRHSMDSS-GOSISDBHSA-N 0 0 330.432 2.344 10 10 EECERN COc1ccc(CNC(=O)C(=O)Nc2ccc3cc[nH]c3c2)c(O)c1 ZINC001325050789 1333818377 /nfs/dbraw/zinc/81/83/77/1333818377.db2.gz JLHHLSHLKBNNKT-UHFFFAOYSA-N 0 0 339.351 2.137 10 10 EECERN C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001329511428 1334665547 /nfs/dbraw/zinc/66/55/47/1334665547.db2.gz RLROTRAJZWBFRL-PYLYLYNFSA-N 0 0 328.412 2.439 10 10 EECERN CC1(C)C[C@@]1(C)CNC(=O)C(=O)NCCCSc1nccs1 ZINC001332124467 1335736290 /nfs/dbraw/zinc/73/62/90/1335736290.db2.gz HIPXBKFQJCFZNO-HNNXBMFYSA-N 0 0 341.502 2.294 10 10 EECERN CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)[n-]1 ZINC001333720282 1336114439 /nfs/dbraw/zinc/11/44/39/1336114439.db2.gz VNZVVRQGUNUWSF-ZDUSSCGKSA-N 0 0 343.431 2.432 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3[nH]cnc3CC)CC2)cc1 ZINC001339371541 1336994236 /nfs/dbraw/zinc/99/42/36/1336994236.db2.gz BEFKIZIASCOIAF-UHFFFAOYSA-N 0 0 328.416 2.333 10 10 EECERN CC(C)(C)OC(=O)c1cc(C(=O)N2Cc3cccc(O)c3C2)[nH]n1 ZINC001347151383 1337497916 /nfs/dbraw/zinc/49/79/16/1337497916.db2.gz NOQRWQBPBPTLIU-UHFFFAOYSA-N 0 0 329.356 2.227 10 10 EECERN O=C(N[C@@H](Cc1ccccc1)c1ncon1)c1cccc(O)c1O ZINC001300081498 1338031677 /nfs/dbraw/zinc/03/16/77/1338031677.db2.gz ZHUBQPRHFOXDAR-ZDUSSCGKSA-N 0 0 325.324 2.195 10 10 EECERN COCC1(CNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000847422668 1338052475 /nfs/dbraw/zinc/05/24/75/1338052475.db2.gz FMFRBWIRMDVQNW-UHFFFAOYSA-N 0 0 343.221 2.381 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)NCCN(C)OC)CCCC1 ZINC001300123113 1338077966 /nfs/dbraw/zinc/07/79/66/1338077966.db2.gz RICVYPYDQUECAD-UHFFFAOYSA-N 0 0 345.443 2.138 10 10 EECERN O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1c(F)ccc(O)c1O ZINC000848391281 1338696163 /nfs/dbraw/zinc/69/61/63/1338696163.db2.gz BTVZLOOJPHWXNM-XVKPBYJWSA-N 0 0 337.269 2.467 10 10 EECERN COCc1cc(O)ccc1NS(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000849309989 1339151826 /nfs/dbraw/zinc/15/18/26/1339151826.db2.gz PKIIGJUKKLOHQY-MRXNPFEDSA-N 0 0 343.445 2.486 10 10 EECERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CC(=O)N2C ZINC001611469291 1352301362 /nfs/dbraw/zinc/30/13/62/1352301362.db2.gz MCJCUAVVVJIFIW-NSHDSACASA-N 0 0 340.379 2.037 10 10 EECERN CON(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001620127156 1352357975 /nfs/dbraw/zinc/35/79/75/1352357975.db2.gz MUQNWMXCGHCIFV-OAHLLOKOSA-N 0 0 349.410 2.381 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CN(C)C(=O)OC(C)(C)C ZINC001556515918 1342430293 /nfs/dbraw/zinc/43/02/93/1342430293.db2.gz RXKWJAFNKQFQQE-UHFFFAOYSA-N 0 0 343.420 2.361 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001558162231 1342467034 /nfs/dbraw/zinc/46/70/34/1342467034.db2.gz WUSYXRGGHXXLQG-MQMHXKEQSA-N 0 0 342.399 2.175 10 10 EECERN O=C(C1=CC(=O)CS1)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 ZINC001570722832 1343107245 /nfs/dbraw/zinc/10/72/45/1343107245.db2.gz FNRGJKCYJSZWJJ-HNNXBMFYSA-N 0 0 326.381 2.360 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccc2c(c1)NC(=O)CS2 ZINC001593734101 1349872304 /nfs/dbraw/zinc/87/23/04/1349872304.db2.gz JZWZVYWGSCRUKW-UHFFFAOYSA-N 0 0 330.365 2.072 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1CCNC1=S ZINC001608343425 1351674595 /nfs/dbraw/zinc/67/45/95/1351674595.db2.gz OAMDYODDJOYMTN-UHFFFAOYSA-N 0 0 348.497 2.076 10 10 EECERN O=C(Cc1cncn1Cc1ccccc1)NCc1ccc(O)c(O)c1 ZINC001622642940 1352386810 /nfs/dbraw/zinc/38/68/10/1352386810.db2.gz FOUTXTPCGJQDHX-UHFFFAOYSA-N 0 0 337.379 2.202 10 10 EECERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1nnn(C)n1 ZINC001623924986 1352409186 /nfs/dbraw/zinc/40/91/86/1352409186.db2.gz MRHOEKAMYCCGTN-CYBMUJFWSA-N 0 0 337.383 2.319 10 10 EECERN O=C(COc1ccsn1)NCc1ccc(N2CCSCC2)cc1 ZINC001624898370 1352434190 /nfs/dbraw/zinc/43/41/90/1352434190.db2.gz VLBGAVGEVJVUKZ-UHFFFAOYSA-N 0 0 349.481 2.392 10 10 EECERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)Cc1ccc(O)c(O)c1 ZINC001624938764 1352435454 /nfs/dbraw/zinc/43/54/54/1352435454.db2.gz UGYMAUKKOXJWPI-BETUJISGSA-N 0 0 348.443 2.134 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1[nH]ncc1Br ZINC001627072844 1352481631 /nfs/dbraw/zinc/48/16/31/1352481631.db2.gz FRAVWGCLVHLVEO-UHFFFAOYSA-N 0 0 347.172 2.356 10 10 EECERN O=C(c1nc2ncccn2n1)N(Cc1ccco1)Cc1ccccc1O ZINC001629943933 1352560929 /nfs/dbraw/zinc/56/09/29/1352560929.db2.gz VMJZSCLQVIRLNH-UHFFFAOYSA-N 0 0 349.350 2.266 10 10 EECERN COC(=O)/C=C\c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 ZINC001633817860 1352618229 /nfs/dbraw/zinc/61/82/29/1352618229.db2.gz BMDYTJOZJGOSCR-OFSNVTPPSA-N 0 0 345.351 2.238 10 10 EECERN COc1ccc(CNC(=O)c2ccnc(-c3ccccn3)n2)c(O)c1 ZINC001633926366 1352620669 /nfs/dbraw/zinc/62/06/69/1352620669.db2.gz CLOAZRNVZHJVOE-UHFFFAOYSA-N 0 0 336.351 2.183 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)CC(C)(C)C ZINC001636058753 1352657540 /nfs/dbraw/zinc/65/75/40/1352657540.db2.gz PQABMABDXOVCJX-UHFFFAOYSA-N 0 0 327.421 2.047 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cc(-c2cccc(O)c2)on1 ZINC001644710835 1352767498 /nfs/dbraw/zinc/76/74/98/1352767498.db2.gz LAROIJJWOXIPFL-UHFFFAOYSA-N 0 0 326.308 2.388 10 10 EECERN CC(C)(C)OC(=O)[C@]1(C(=O)NCc2c(O)cccc2O)CC1(C)C ZINC001647291361 1353220627 /nfs/dbraw/zinc/22/06/27/1353220627.db2.gz YQYJDTYKBDSCRQ-GOSISDBHSA-N 0 0 335.400 2.472 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC(=O)c1ccc(F)cc1Cl ZINC001648011221 1353413251 /nfs/dbraw/zinc/41/32/51/1353413251.db2.gz ZFFFDGYPPWJWCB-UHFFFAOYSA-N 0 0 337.734 2.432 10 10 EECERN Cc1cc(C(=O)N[C@@H]2COC[C@@H]2O)c(C)n1-c1cc(C)cc(C)c1 ZINC001648491437 1353431378 /nfs/dbraw/zinc/43/13/78/1353431378.db2.gz INMQSLHGBGMTPQ-MSOLQXFVSA-N 0 0 328.412 2.200 10 10 EECERN O=C(C[C@H]1CCC2(CCOCC2)CO1)NCc1cc(O)ccc1O ZINC001651225591 1354044747 /nfs/dbraw/zinc/04/47/47/1354044747.db2.gz PSQYKMWSRMDFSF-OAHLLOKOSA-N 0 0 335.400 2.080 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CSC(c2ccccc2)=N1 ZINC001651225221 1354044904 /nfs/dbraw/zinc/04/49/04/1354044904.db2.gz AMEPLCQUSMNITE-AWEZNQCLSA-N 0 0 328.393 2.276 10 10 EECERN Nc1nc(C2CCCC2)ncc1C(=O)NCc1c(O)cccc1O ZINC001652625498 1354097270 /nfs/dbraw/zinc/09/72/70/1354097270.db2.gz FRBOSOBLXPSGCH-UHFFFAOYSA-N 0 0 328.372 2.058 10 10 EECERN Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)n1-c1cnn(C)c1 ZINC001652625501 1354097314 /nfs/dbraw/zinc/09/73/14/1354097314.db2.gz FUYMWVRFRUTYJW-UHFFFAOYSA-N 0 0 340.383 2.169 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC001653002732 1354110639 /nfs/dbraw/zinc/11/06/39/1354110639.db2.gz NPSHGOMLVWHGKX-AWEZNQCLSA-N 0 0 346.387 2.307 10 10 EECERN CCC1(CC)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC[S@]1=O ZINC000588487634 760164776 /nfs/dbraw/zinc/16/47/76/760164776.db2.gz HULJISYJUXIWDR-RNPAOAGASA-N 0 0 337.441 2.261 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3nnn(C)c3c2)c1 ZINC000183326448 780772197 /nfs/dbraw/zinc/77/21/97/780772197.db2.gz IHJBODPCYPWIJL-SNVBAGLBSA-N 0 0 326.356 2.174 10 10 EECERN CC1(C)CN(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000816921595 784335066 /nfs/dbraw/zinc/33/50/66/784335066.db2.gz ATUPBHXWQBMENA-MRXNPFEDSA-N 0 0 332.444 2.242 10 10 EECERN CCc1nnc(C(=O)NCc2cc(Br)ccc2O)s1 ZINC000908170952 785134316 /nfs/dbraw/zinc/13/43/16/785134316.db2.gz UOZLPCKRSSGFLF-UHFFFAOYSA-N 0 0 342.218 2.499 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)/C=C/c3cnccn3)C2)cc1 ZINC000819583325 785593371 /nfs/dbraw/zinc/59/33/71/785593371.db2.gz RTIMBLLAVNVLAN-HYNJPGQWSA-N 0 0 338.411 2.141 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000819698545 785645760 /nfs/dbraw/zinc/64/57/60/785645760.db2.gz NBXIXAAIQNEETI-RYUDHWBXSA-N 0 0 327.327 2.185 10 10 EECERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276408 787347313 /nfs/dbraw/zinc/34/73/13/787347313.db2.gz MFHYEYMDZNEFHG-IDCJVQTKSA-N 0 0 332.444 2.309 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)c1 ZINC000913000830 788538205 /nfs/dbraw/zinc/53/82/05/788538205.db2.gz WTXCUPFGRLTNIL-SFHVURJKSA-N 0 0 335.400 2.208 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H](C1CC1)C1CCOCC1 ZINC000844735328 789362292 /nfs/dbraw/zinc/36/22/92/789362292.db2.gz GILHPPBJOHDRHI-GOSISDBHSA-N 0 0 344.411 2.362 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC001144820940 790173113 /nfs/dbraw/zinc/17/31/13/790173113.db2.gz VRCAUMSVURJBRL-GASCZTMLSA-N 0 0 325.412 2.396 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC001178912762 799698519 /nfs/dbraw/zinc/69/85/19/799698519.db2.gz XGNSWSXDCOGQPJ-UHFFFAOYSA-N 0 0 328.299 2.421 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001180421286 800425620 /nfs/dbraw/zinc/42/56/20/800425620.db2.gz YQORYOIOKOQZMA-UHFFFAOYSA-N 0 0 331.115 2.260 10 10 EECERN CC(C)n1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000794246868 810728603 /nfs/dbraw/zinc/72/86/03/810728603.db2.gz MWNRMWWXOCDDKQ-AWEZNQCLSA-N 0 0 343.431 2.187 10 10 EECERN COC(C)(C)CNC(=O)NCc1cc(Br)ccc1O ZINC000805157948 811163739 /nfs/dbraw/zinc/16/37/39/811163739.db2.gz YDRDFSAHNIWOCF-UHFFFAOYSA-N 0 0 331.210 2.379 10 10 EECERN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCC(=O)C(C)=O)O[C@H](C)C2 ZINC000808515503 812685804 /nfs/dbraw/zinc/68/58/04/812685804.db2.gz ICNQWTFJPVHFEK-DGFSRKRXSA-N 0 0 346.379 2.214 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc(OCc2ccccc2)ccc1O ZINC000808520270 812688819 /nfs/dbraw/zinc/68/88/19/812688819.db2.gz NWTRDRKNSFFZQM-UHFFFAOYSA-N 0 0 328.320 2.286 10 10 EECERN O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCc1ccccc1O ZINC001445973276 1091928535 /nfs/dbraw/zinc/92/85/35/1091928535.db2.gz WBJUPFMZAGSWSO-UHFFFAOYSA-N 0 0 337.379 2.310 10 10 EECERN COC(=O)/C=C\c1ccc(C(=O)NCc2cccc(OC)c2O)o1 ZINC001445972633 1091929403 /nfs/dbraw/zinc/92/94/03/1091929403.db2.gz ZQVJOZMNACVFLO-CLFYSBASSA-N 0 0 331.324 2.110 10 10 EECERN COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001448124735 1104061007 /nfs/dbraw/zinc/06/10/07/1104061007.db2.gz YFXMFHPFWSEGPT-ZWNOBZJWSA-N 0 0 332.360 2.263 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccnc(OCC(F)(F)F)c1 ZINC001455357853 1108474831 /nfs/dbraw/zinc/47/48/31/1108474831.db2.gz WBRLBCZXBAHYRS-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN COc1ccc2c(ccn2CC(=O)NCc2c(O)cccc2O)c1 ZINC001456232844 1109117546 /nfs/dbraw/zinc/11/75/46/1109117546.db2.gz CDVLINKOOBHZKH-UHFFFAOYSA-N 0 0 326.352 2.378 10 10 EECERN Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467508202 1110457626 /nfs/dbraw/zinc/45/76/26/1110457626.db2.gz PGNNIWYODVNJIN-CYBMUJFWSA-N 0 0 326.360 2.390 10 10 EECERN CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccc(O)cc2O)CC1 ZINC001469159045 1110486131 /nfs/dbraw/zinc/48/61/31/1110486131.db2.gz JRDHVPHFGLGOOV-UHFFFAOYSA-N 0 0 336.388 2.019 10 10 EECERN C[C@@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1ccccc1O ZINC001471195113 1110519025 /nfs/dbraw/zinc/51/90/25/1110519025.db2.gz BXPPZPQJWCUYQW-SNVBAGLBSA-N 0 0 334.322 2.278 10 10 EECERN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1cccc(O)c1O ZINC001471746046 1110529577 /nfs/dbraw/zinc/52/95/77/1110529577.db2.gz KWAASOIUWLWZKB-CYBMUJFWSA-N 0 0 342.351 2.195 10 10 EECERN O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)NCc1c(O)cccc1F ZINC001471976398 1110537076 /nfs/dbraw/zinc/53/70/76/1110537076.db2.gz YFXNIOHWSPDOIX-NSHDSACASA-N 0 0 332.306 2.413 10 10 EECERN Cc1noc(CCCn2c(C)nnc2N(C)Cc2ccccc2O)n1 ZINC001511951761 1118335942 /nfs/dbraw/zinc/33/59/42/1118335942.db2.gz BTICXBQYHGVGJV-UHFFFAOYSA-N 0 0 342.403 2.253 10 10 EECERN Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(C2=S=CC=C2)s1 ZINC001523558536 1119810490 /nfs/dbraw/zinc/81/04/90/1119810490.db2.gz MLULHKYEPFUNIZ-UHFFFAOYSA-N 0 0 334.382 2.268 10 10 EECERN CC(C)S(=O)(=O)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525106471 1120267934 /nfs/dbraw/zinc/26/79/34/1120267934.db2.gz HEFXGIVAJIUZOD-UHFFFAOYSA-N 0 0 338.473 2.068 10 10 EECERN CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1CCO[C@H](CC)C1 ZINC001540417212 1124082090 /nfs/dbraw/zinc/08/20/90/1124082090.db2.gz CIOHFWGCTIEUNN-QZTJIDSGSA-N 0 0 333.476 2.258 10 10 EECERN Cc1nc(NC(=O)C=Cc2ccc(O)c(O)c2)n(-c2ccccc2)n1 ZINC001545219101 1124183496 /nfs/dbraw/zinc/18/34/96/1124183496.db2.gz PCKPYPSUWCKGGB-NTMALXAHSA-N 0 0 336.351 2.061 10 10 EECERN C[C@@H](O)C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001545523946 1124194532 /nfs/dbraw/zinc/19/45/32/1124194532.db2.gz BSDUUBCSBQUJBF-CJNGLKHVSA-N 0 0 329.396 2.311 10 10 EECERN C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000191405773 237253402 /nfs/dbraw/zinc/25/34/02/237253402.db2.gz NFAUWESHLVIODH-MAUKXSAKSA-N 0 0 332.444 2.297 10 10 EECERN COc1ccc(N2CCN(c3nccn(CC(C)C)c3=O)CC2)cc1 ZINC000094131415 463060169 /nfs/dbraw/zinc/06/01/69/463060169.db2.gz ZVSRDLRJHUNRCJ-UHFFFAOYSA-N 0 0 342.443 2.235 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[C@@H](O)C1 ZINC000170603295 463681692 /nfs/dbraw/zinc/68/16/92/463681692.db2.gz UHKQOAVVGASMKH-IEBWSBKVSA-N 0 0 346.471 2.063 10 10 EECERN O=C(NCc1ccccc1O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000269145021 463890003 /nfs/dbraw/zinc/89/00/03/463890003.db2.gz NPTODADDZQOERO-AWEZNQCLSA-N 0 0 334.441 2.100 10 10 EECERN CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000283916269 464040498 /nfs/dbraw/zinc/04/04/98/464040498.db2.gz INWPBIYYFFHOID-WCQYABFASA-N 0 0 346.811 2.201 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2nccnc21 ZINC000273335735 464712486 /nfs/dbraw/zinc/71/24/86/464712486.db2.gz ULBOAAFGBZUYDH-UHFFFAOYSA-N 0 0 348.406 2.396 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)c2ccnn2CC)cc1 ZINC000274416330 464744337 /nfs/dbraw/zinc/74/43/37/464744337.db2.gz BCTYIPVXKUOLCA-UHFFFAOYSA-N 0 0 336.461 2.228 10 10 EECERN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(C)ccc1O ZINC000191547967 464820841 /nfs/dbraw/zinc/82/08/41/464820841.db2.gz QLODBWYJLSLQIS-UHFFFAOYSA-N 0 0 332.425 2.171 10 10 EECERN CC1(C)SC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000282623850 464888459 /nfs/dbraw/zinc/88/84/59/464888459.db2.gz FSSSFTJEUPPORV-HNNXBMFYSA-N 0 0 335.473 2.216 10 10 EECERN COc1ccc2c(c1)CCCCN2C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000374916666 466759610 /nfs/dbraw/zinc/75/96/10/466759610.db2.gz QHXVRSFARCUBHT-CQSZACIVSA-N 0 0 338.473 2.119 10 10 EECERN O=C1[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCN1C1CCOCC1 ZINC000376454922 466913639 /nfs/dbraw/zinc/91/36/39/466913639.db2.gz NXJHMTQXDHUJQA-ZDUSSCGKSA-N 0 0 342.798 2.054 10 10 EECERN Cc1cn2c(n1)C[C@@H](C(=O)N1CCOc3cc(N(C)C)ccc31)CC2 ZINC000625916172 469434725 /nfs/dbraw/zinc/43/47/25/469434725.db2.gz MHDZOEXXDGAXGL-AWEZNQCLSA-N 0 0 340.427 2.246 10 10 EECERN COc1cccc(CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)c1O ZINC000729558989 576664922 /nfs/dbraw/zinc/66/49/22/576664922.db2.gz KUAQAVXDNAFNNU-UHFFFAOYSA-N 0 0 343.339 2.053 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000734501146 577303789 /nfs/dbraw/zinc/30/37/89/577303789.db2.gz FJBYFPWYUIXNNY-CYBMUJFWSA-N 0 0 325.478 2.127 10 10 EECERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773854526 577369297 /nfs/dbraw/zinc/36/92/97/577369297.db2.gz CGAQDPLHZZUOPD-LLVKDONJSA-N 0 0 344.415 2.427 10 10 EECERN Cc1cc(C(=O)NCc2cccc(Br)c2O)nc(C)n1 ZINC000765753017 577506619 /nfs/dbraw/zinc/50/66/19/577506619.db2.gz LYGKWPBNMPLJEA-UHFFFAOYSA-N 0 0 336.189 2.492 10 10 EECERN COc1ccc(O)c(CNC(=O)c2cc3c(cc2OC)OCO3)c1 ZINC000759957471 577654765 /nfs/dbraw/zinc/65/47/65/577654765.db2.gz GBZNAWAJGGRAOO-UHFFFAOYSA-N 0 0 331.324 2.068 10 10 EECERN O=C1N[C@]2(CCSC2)C(=O)N1CCCSc1nccs1 ZINC000761295667 577681331 /nfs/dbraw/zinc/68/13/31/577681331.db2.gz BVOVLJQTUYVNHH-LBPRGKRZSA-N 0 0 329.472 2.053 10 10 EECERN Cc1cc(C(=O)CN2C[C@H](O)C[C@H](O)C2)c(C)n1-c1ccc(C)cc1 ZINC000752308877 577768892 /nfs/dbraw/zinc/76/88/92/577768892.db2.gz CGVMZVXNDDUGBI-HDICACEKSA-N 0 0 342.439 2.013 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCC3)[C@@H]2CCCC[C@@H]21 ZINC000754007467 577798448 /nfs/dbraw/zinc/79/84/48/577798448.db2.gz CHAFRWBTINVUDF-AEFFLSMTSA-N 0 0 335.469 2.423 10 10 EECERN CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)C2=CC(=O)CS2)C1 ZINC000745002329 577906575 /nfs/dbraw/zinc/90/65/75/577906575.db2.gz IRBOSXPAUPICRD-LLVKDONJSA-N 0 0 341.385 2.189 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CSCN2C(C)=O)cc1 ZINC000747378560 577943209 /nfs/dbraw/zinc/94/32/09/577943209.db2.gz XFAVYESPNOJLNO-KRWDZBQOSA-N 0 0 349.500 2.413 10 10 EECERN CN(Cc1nnc(C2CC2)n1C)Cc1ccc(N2CCOCC2)cc1 ZINC000157569273 674976187 /nfs/dbraw/zinc/97/61/87/674976187.db2.gz RLSVIFLNNGIKFK-UHFFFAOYSA-N 0 0 341.459 2.161 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1ccnc2[nH]cnc21 ZINC000804737153 675611016 /nfs/dbraw/zinc/61/10/16/675611016.db2.gz JPQLINIZUAXJDG-UHFFFAOYSA-N 0 0 347.172 2.356 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000176211638 677789641 /nfs/dbraw/zinc/78/96/41/677789641.db2.gz HRYGMIBNFDVVHI-VXGBXAGGSA-N 0 0 338.429 2.026 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000255871966 681368166 /nfs/dbraw/zinc/36/81/66/681368166.db2.gz DRXOZLCNDNTNOX-ALCCZGGFSA-N 0 0 330.344 2.114 10 10 EECERN COC(=O)CC1CC(NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000924923283 681575391 /nfs/dbraw/zinc/57/53/91/681575391.db2.gz UFVNXLSACSMCNN-VOMCLLRMSA-N 0 0 336.388 2.103 10 10 EECERN CO[C@H]1C[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925079102 683066663 /nfs/dbraw/zinc/06/66/63/683066663.db2.gz SLTHZTYFLAXAJS-MJHDQNEOSA-N 0 0 338.791 2.235 10 10 EECERN CN(C)c1ccc(CN(C(=O)[C@@H]2CCCN(C)C2=O)C2CC2)cc1 ZINC000294362771 683283606 /nfs/dbraw/zinc/28/36/06/683283606.db2.gz MLVNBKPDAXELQX-QGZVFWFLSA-N 0 0 329.444 2.112 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cc(C(N)=O)cn2C)cc1F ZINC000153432345 684023647 /nfs/dbraw/zinc/02/36/47/684023647.db2.gz WHVGUDKQBPPEIR-UHFFFAOYSA-N 0 0 346.406 2.039 10 10 EECERN COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(OC)c1O ZINC000895861663 684744814 /nfs/dbraw/zinc/74/48/14/684744814.db2.gz GKBKAYARIONXIX-OLZOCXBDSA-N 0 0 343.807 2.255 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1C ZINC000897520291 690830256 /nfs/dbraw/zinc/83/02/56/690830256.db2.gz DZRAJWQZIAZLKN-PSASIEDQSA-N 0 0 335.381 2.336 10 10 EECERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@]2(CCOC2)O1 ZINC000897627967 691706478 /nfs/dbraw/zinc/70/64/78/691706478.db2.gz ZBUDYFCMFXDMEO-BMLIUANNSA-N 0 0 349.408 2.333 10 10 EECERN CO[C@H]1COCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897892046 691813944 /nfs/dbraw/zinc/81/39/44/691813944.db2.gz CJLMYUXWPGBJJI-RNCFNFMXSA-N 0 0 337.397 2.094 10 10 EECERN C[C@H](Cc1cnn(C)c1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897916232 691821959 /nfs/dbraw/zinc/82/19/59/691821959.db2.gz HHSDMXOQWOGZOB-SECBINFHSA-N 0 0 331.397 2.407 10 10 EECERN COc1ccc2c(c1)ncc(C(=O)NCc1cc(C)ccc1O)c2O ZINC001648926305 1180298764 /nfs/dbraw/zinc/29/87/64/1180298764.db2.gz BMBRCIOPLXYBEH-UHFFFAOYSA-N 0 0 338.363 2.481 10 10 EECERN CN1C(=O)/C(=C/c2cn(C[C@@H]3CCOC3)nn2)c2cc(Cl)ccc21 ZINC000865224577 1198130650 /nfs/dbraw/zinc/13/06/50/1198130650.db2.gz TVMFHZYYYFNSEV-BXRZMRDGSA-N 0 0 344.802 2.485 10 10 EECERN C[C@@H](NCc1cn(C[C@@H]2CCOC2)nn1)c1ccc(N(C)C)cc1 ZINC000865532265 1198261731 /nfs/dbraw/zinc/26/17/31/1198261731.db2.gz WSKGHVHNORVJRN-CABCVRRESA-N 0 0 329.448 2.231 10 10 EECERN CN(C)c1ccc(C=CCNCc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC000865866647 1198407229 /nfs/dbraw/zinc/40/72/29/1198407229.db2.gz OJCMQMMTCLQWGT-ARJAWSKDSA-N 0 0 340.427 2.124 10 10 EECERN CC(C)(C)OC(=O)NC/C=C/CNC(=O)NCc1ccccc1O ZINC000812019976 1200453667 /nfs/dbraw/zinc/45/36/67/1200453667.db2.gz VAYNOYADMRDECW-VOTSOKGWSA-N 0 0 335.404 2.272 10 10 EECERN Cc1cc(C(=O)NC[C@@H](O)[C@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000871127381 1201062771 /nfs/dbraw/zinc/06/27/71/1201062771.db2.gz CCKVTWTTZOLIFX-BLLLJJGKSA-N 0 0 336.819 2.219 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000122384165 1201923382 /nfs/dbraw/zinc/92/33/82/1201923382.db2.gz FWWLNZLMEGKHSJ-UHFFFAOYSA-N 0 0 341.323 2.460 10 10 EECERN COc1cccc(CNC(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000927439616 1206264857 /nfs/dbraw/zinc/26/48/57/1206264857.db2.gz BSURKZNQMOFUNY-ZBFHGGJFSA-N 0 0 334.416 2.405 10 10 EECERN CC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1F)c1cccs1 ZINC000928708203 1206413645 /nfs/dbraw/zinc/41/36/45/1206413645.db2.gz DQWHEBDNZHGFAT-ZDUSSCGKSA-N 0 0 336.388 2.477 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3cncc(C=O)c3)CC2)cc1 ZINC000930308939 1206548489 /nfs/dbraw/zinc/54/84/89/1206548489.db2.gz CYGKSEQHRMHCMK-UHFFFAOYSA-N 0 0 339.395 2.255 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000305255622 1216160554 /nfs/dbraw/zinc/16/05/54/1216160554.db2.gz WLIHVYRNNQWGRI-JSGCOSHPSA-N 0 0 327.384 2.483 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\Cn1cncn1 ZINC000900292746 1234168812 /nfs/dbraw/zinc/16/88/12/1234168812.db2.gz ISRRWKSRBZCLJW-WAYWQWQTSA-N 0 0 327.432 2.338 10 10 EECERN O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC(F)(F)F ZINC000827047732 1249688778 /nfs/dbraw/zinc/68/87/78/1249688778.db2.gz HZRFGBNCORAOGE-UHFFFAOYSA-N 0 0 349.733 2.251 10 10 EECERN COc1ccc(N2CCN(c3nccc(-c4cnccn4)n3)CC2)cc1 ZINC000827277211 1239176541 /nfs/dbraw/zinc/17/65/41/1239176541.db2.gz YTWGQINOPISTFB-UHFFFAOYSA-N 0 0 348.410 2.269 10 10 EECERN C[C@@H](Sc1ncc(Cl)s1)C(=O)N(C)CC(=O)NC1CC1 ZINC000849998242 1276980796 /nfs/dbraw/zinc/98/07/96/1276980796.db2.gz CEEFCDNUFDGTSA-SSDOTTSWSA-N 0 0 333.866 2.014 10 10 EECERN CCN(c1ccc(OC)cc1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000851829666 1291867672 /nfs/dbraw/zinc/86/76/72/1291867672.db2.gz ZOHVINVSTWTQSI-INIZCTEOSA-N 0 0 348.443 2.464 10 10 EECERN CO[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC000851988503 1291943933 /nfs/dbraw/zinc/94/39/33/1291943933.db2.gz ZTLKNDBAEOKQDI-FUHWJXTLSA-N 0 0 347.459 2.138 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCc3cscn3)C2)cc1 ZINC000852454539 1292118562 /nfs/dbraw/zinc/11/85/62/1292118562.db2.gz PKYSLVXFNFIHLA-ZDUSSCGKSA-N 0 0 346.456 2.272 10 10 EECERN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@](C)(C(F)F)O1 ZINC000853630703 1292427318 /nfs/dbraw/zinc/42/73/18/1292427318.db2.gz HOGRWZCJLQYCKB-YYFNMXAFSA-N 0 0 329.343 2.063 10 10 EECERN O=C(NCCCSc1nccs1)N1CC[C@H]2COC[C@@H]2C1 ZINC000853858177 1292492903 /nfs/dbraw/zinc/49/29/03/1292492903.db2.gz LOKMBUKKLQPTHV-RYUDHWBXSA-N 0 0 327.475 2.303 10 10 EECERN CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)(C)O ZINC000854297885 1292709411 /nfs/dbraw/zinc/70/94/11/1292709411.db2.gz SQZPPEXTYHDVJK-BBRMVZONSA-N 0 0 335.448 2.123 10 10 EECERN CCCCN(CCCO)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300156 1292711067 /nfs/dbraw/zinc/71/10/67/1292711067.db2.gz VLZNRLVXELZSMK-INIZCTEOSA-N 0 0 349.475 2.468 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1nnn(C(C)(C)C)n1 ZINC000854948268 1292998116 /nfs/dbraw/zinc/99/81/16/1292998116.db2.gz MYUWDIXDQRMENZ-ZDUSSCGKSA-N 0 0 344.463 2.164 10 10 EECERN CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c(C)nn1 ZINC000855224124 1293116901 /nfs/dbraw/zinc/11/69/01/1293116901.db2.gz DLLLCMQYNBYGAS-OAHLLOKOSA-N 0 0 340.427 2.365 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3cscn3)C2)cc1 ZINC000855230524 1293120731 /nfs/dbraw/zinc/12/07/31/1293120731.db2.gz OOZGJCYDXGXHQD-ZDUSSCGKSA-N 0 0 331.441 2.479 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCc4n[nH]cc43)C2)cc1 ZINC000855234023 1293122972 /nfs/dbraw/zinc/12/29/72/1293122972.db2.gz QTKXEFUXXKNWDY-XJKSGUPXSA-N 0 0 340.427 2.233 10 10 EECERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000858209748 1294046041 /nfs/dbraw/zinc/04/60/41/1294046041.db2.gz UKWAZHLXZWHMQU-LBPRGKRZSA-N 0 0 330.266 2.390 10 10 EECERN CCO[C@@]1(C)C[C@H]1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000858598010 1294163744 /nfs/dbraw/zinc/16/37/44/1294163744.db2.gz ARBJCXMUYXYKNR-XCRHUMRWSA-N 0 0 333.432 2.141 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cccnc3C)C2)cc1 ZINC000858599611 1294164547 /nfs/dbraw/zinc/16/45/47/1294164547.db2.gz OWZOMVQQVPZLOC-INIZCTEOSA-N 0 0 340.427 2.477 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000858600158 1294164706 /nfs/dbraw/zinc/16/47/06/1294164706.db2.gz TVRHHEVLBUSZOE-MPGHIAIKSA-N 0 0 345.443 2.141 10 10 EECERN Cc1cc(CNC(=O)N2CN(C)C(=O)[C@@H]2C)c(C)n1-c1ccccc1 ZINC000858906586 1294258308 /nfs/dbraw/zinc/25/83/08/1294258308.db2.gz OBMVCSGDZQFUKT-HNNXBMFYSA-N 0 0 340.427 2.424 10 10 EECERN CCCN(CC(F)(F)F)C(=O)COC(=O)c1cccc(O)c1O ZINC000859641809 1294567046 /nfs/dbraw/zinc/56/70/46/1294567046.db2.gz CDEUPIPJORDECY-UHFFFAOYSA-N 0 0 335.278 2.056 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCC12OCCO2 ZINC000862026355 1295661244 /nfs/dbraw/zinc/66/12/44/1295661244.db2.gz LSQVNKBTOSCZDO-AWEZNQCLSA-N 0 0 328.368 2.100 10 10 EECERN CCON(CC)C(=O)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000862617556 1295905927 /nfs/dbraw/zinc/90/59/27/1295905927.db2.gz JKZSRKNIZYWOML-UHFFFAOYSA-N 0 0 344.415 2.019 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](C[C@H]2CCCOC2)C1=O ZINC000863505849 1296315331 /nfs/dbraw/zinc/31/53/31/1296315331.db2.gz XCQYSBKMESJHNX-RHSMWYFYSA-N 0 0 345.443 2.298 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@H]2CCC[C@H]2C1=O ZINC000839954754 1315263523 /nfs/dbraw/zinc/26/35/23/1315263523.db2.gz FVBQEKQWETWGIQ-IEBWSBKVSA-N 0 0 343.471 2.171 10 10 EECERN C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000841064342 1315466170 /nfs/dbraw/zinc/46/61/70/1315466170.db2.gz PAJWZFUFBOAANI-PRXAMGSTSA-N 0 0 339.395 2.277 10 10 EECERN Cc1nn(C)c(S(=O)(=O)N(C)Cc2ccccc2O)c1C(F)F ZINC000841492181 1315564700 /nfs/dbraw/zinc/56/47/00/1315564700.db2.gz DFVVSQKTGQYVRG-UHFFFAOYSA-N 0 0 345.371 2.192 10 10 EECERN COC(=O)CCCN1C(=O)/C(=C/c2conc2C)SC1=S ZINC000841497317 1315565123 /nfs/dbraw/zinc/56/51/23/1315565123.db2.gz VMFGWJMDUUDLOU-POHAHGRESA-N 0 0 326.399 2.137 10 10 EECERN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841961215 1315645070 /nfs/dbraw/zinc/64/50/70/1315645070.db2.gz CCZGNHZZQYDBEY-GXFFZTMASA-N 0 0 331.338 2.173 10 10 EECERN CCCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(O)cc1O ZINC001142529810 1315652595 /nfs/dbraw/zinc/65/25/95/1315652595.db2.gz GKUDJQOJFLNTMX-UHFFFAOYSA-N 0 0 349.408 2.212 10 10 EECERN COc1cc(O)c(CN2CCO[C@]3(CCSC3)C2)cc1OC ZINC000842620460 1315734830 /nfs/dbraw/zinc/73/48/30/1315734830.db2.gz OUQQJUGYITZBOR-MRXNPFEDSA-N 0 0 325.430 2.117 10 10 EECERN O=C([O-])C1(C[NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000843038270 1315826109 /nfs/dbraw/zinc/82/61/09/1315826109.db2.gz FRTYAOPNHOENNW-UHFFFAOYSA-N 0 0 344.205 2.126 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1cccnc1N ZINC001251990090 1317535575 /nfs/dbraw/zinc/53/55/75/1317535575.db2.gz RQEBCQWLQWYPDX-CQSZACIVSA-N 0 0 341.459 2.469 10 10 EECERN Cc1cc(CC(=O)N2CC(=O)N(C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001155340989 1317558154 /nfs/dbraw/zinc/55/81/54/1317558154.db2.gz WVEULZULJXACHO-OAHLLOKOSA-N 0 0 339.439 2.326 10 10 EECERN Cn1ccnc1COCC(=O)NCc1c(O)ccc2ccccc21 ZINC001157041532 1318361936 /nfs/dbraw/zinc/36/19/36/1318361936.db2.gz IKQUKLYLCYTLEF-UHFFFAOYSA-N 0 0 325.368 2.112 10 10 EECERN CN(C)C(=O)O[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001158622565 1319339222 /nfs/dbraw/zinc/33/92/22/1319339222.db2.gz RCSQKAAUEIJWEH-ZDUSSCGKSA-N 0 0 347.375 2.152 10 10 EECERN CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(O)cc2O)c1C ZINC001162271784 1320802766 /nfs/dbraw/zinc/80/27/66/1320802766.db2.gz QWKBUUNUQXPRMI-UHFFFAOYSA-N 0 0 332.356 2.149 10 10 EECERN NC(=O)c1ccc(CCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001165507253 1321536152 /nfs/dbraw/zinc/53/61/52/1321536152.db2.gz CRIONHURMNPUOK-UHFFFAOYSA-N 0 0 332.787 2.394 10 10 EECERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1COCCO1 ZINC001287180883 1327444177 /nfs/dbraw/zinc/44/41/77/1327444177.db2.gz HHPSEUJOHBTNEF-HNNXBMFYSA-N 0 0 346.431 2.159 10 10 EECERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1ccc(O)c(O)c1 ZINC001294908106 1329762692 /nfs/dbraw/zinc/76/26/92/1329762692.db2.gz AOKRGSZWTDCHNU-UHFFFAOYSA-N 0 0 346.339 2.377 10 10 EECERN CC/C=C(\C)C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001296018156 1329865380 /nfs/dbraw/zinc/86/53/80/1329865380.db2.gz ARLBWVWZNFQWKJ-ALHNYQDTSA-N 0 0 345.403 2.394 10 10 EECERN Cc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001303823540 1331366954 /nfs/dbraw/zinc/36/69/54/1331366954.db2.gz JVBUFFWETGCPJI-IDHPPYADSA-N 0 0 342.439 2.325 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001304728999 1331393958 /nfs/dbraw/zinc/39/39/58/1331393958.db2.gz WQXLHHQAMMYERT-OLZOCXBDSA-N 0 0 335.400 2.267 10 10 EECERN O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1c(F)ccc(O)c1O ZINC001306652598 1331480844 /nfs/dbraw/zinc/48/08/44/1331480844.db2.gz UILVGLAJEMQBIT-LLVKDONJSA-N 0 0 343.713 2.493 10 10 EECERN [NH3+][C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(F)(F)F ZINC000903982368 1331621836 /nfs/dbraw/zinc/62/18/36/1331621836.db2.gz NGJOIZDCKMYWDP-RKDXNWHRSA-N 0 0 339.701 2.275 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCCC23CC3)cc1 ZINC001331572359 1335038885 /nfs/dbraw/zinc/03/88/85/1335038885.db2.gz XBZZKGSHQFBMOO-MRXNPFEDSA-N 0 0 343.471 2.408 10 10 EECERN C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1F ZINC001345139734 1337427740 /nfs/dbraw/zinc/42/77/40/1337427740.db2.gz MQHYOPUSRANVDC-YOEHRIQHSA-N 0 0 347.434 2.110 10 10 EECERN Cn1nccc1C[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001348172644 1337541409 /nfs/dbraw/zinc/54/14/09/1337541409.db2.gz PGKZDPSVJMLPFN-ZKKXHLJNSA-N 0 0 327.384 2.078 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(n1)OCCO2 ZINC000847339890 1337957699 /nfs/dbraw/zinc/95/76/99/1337957699.db2.gz ZSEXPZGFEMUNDU-UHFFFAOYSA-N 0 0 339.395 2.383 10 10 EECERN CCc1cccc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)c1O ZINC000848907320 1338803563 /nfs/dbraw/zinc/80/35/63/1338803563.db2.gz LJLWNKSAHGZZQC-UHFFFAOYSA-N 0 0 339.439 2.410 10 10 EECERN COc1ccc(N2CC[C@H](N3C(=O)[C@H](C)N(C4CC4)C3=O)C2)cc1 ZINC000849358332 1339154359 /nfs/dbraw/zinc/15/43/59/1339154359.db2.gz VZCAYXLKVPSIGB-WFASDCNBSA-N 0 0 329.400 2.089 10 10 EECERN COc1ccc(CNC(=O)c2cc(F)c(OC)c(F)c2N)c(O)c1 ZINC001617762056 1352344805 /nfs/dbraw/zinc/34/48/05/1352344805.db2.gz FCUJQXLKWBUNEI-UHFFFAOYSA-N 0 0 338.310 2.200 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001557084781 1342440381 /nfs/dbraw/zinc/44/03/81/1342440381.db2.gz OJWGWEOGUVLHHZ-UHFFFAOYSA-N 0 0 327.296 2.417 10 10 EECERN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1O ZINC001557966005 1342461492 /nfs/dbraw/zinc/46/14/92/1342461492.db2.gz RKHMIMUILWGUIZ-GFCCVEGCSA-N 0 0 348.424 2.134 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nccn1C(C)C ZINC001570515069 1343077978 /nfs/dbraw/zinc/07/79/78/1343077978.db2.gz ZRASPJIILYAQFP-UHFFFAOYSA-N 0 0 345.399 2.375 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(F)c(O)c1 ZINC001570514956 1343078040 /nfs/dbraw/zinc/07/80/40/1343078040.db2.gz VWCHKZKGILYCRM-UHFFFAOYSA-N 0 0 347.342 2.442 10 10 EECERN CCC(=O)N(CC)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001582314267 1344728673 /nfs/dbraw/zinc/72/86/73/1344728673.db2.gz UTFACGFGGFGGEE-CQSZACIVSA-N 0 0 345.403 2.322 10 10 EECERN O=C(CCCc1ccc2c(c1)CC(=O)N2)NCc1cc(O)ccc1O ZINC001593873622 1349873165 /nfs/dbraw/zinc/87/31/65/1349873165.db2.gz UIOVRUJAYLHOKS-UHFFFAOYSA-N 0 0 340.379 2.232 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC001595494682 1349887743 /nfs/dbraw/zinc/88/77/43/1349887743.db2.gz NJXKOHSXUJZMJE-UHFFFAOYSA-N 0 0 348.742 2.263 10 10 EECERN COC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccs1 ZINC001624926038 1352435145 /nfs/dbraw/zinc/43/51/45/1352435145.db2.gz UVQHTDNDALZNRQ-NSHDSACASA-N 0 0 335.381 2.122 10 10 EECERN CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2cccc(O)c2O)c1 ZINC001633507379 1352611220 /nfs/dbraw/zinc/61/12/20/1352611220.db2.gz GYDSITYDWPIQOD-LBPRGKRZSA-N 0 0 329.352 2.384 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC001635426070 1352645999 /nfs/dbraw/zinc/64/59/99/1352645999.db2.gz PEKZGGWWJXZNGZ-PKOBYXMFSA-N 0 0 342.439 2.300 10 10 EECERN COC(=O)c1ccc(/C=C/C(=O)NCc2cccc(OC)c2O)o1 ZINC001636061627 1352657382 /nfs/dbraw/zinc/65/73/82/1352657382.db2.gz TXMUEXFPEGIBJP-VQHVLOKHSA-N 0 0 331.324 2.110 10 10 EECERN CCOc1ccc(N(CCN2CCCS2(=O)=O)CC2CC2)cc1 ZINC001644162304 1352758710 /nfs/dbraw/zinc/75/87/10/1352758710.db2.gz XERHYCDQWRSYDQ-UHFFFAOYSA-N 0 0 338.473 2.337 10 10 EECERN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1cc(O)ccc1O ZINC001644752435 1352768052 /nfs/dbraw/zinc/76/80/52/1352768052.db2.gz FNFHKMZSEGMELD-GFCCVEGCSA-N 0 0 338.363 2.229 10 10 EECERN O=C(C[C@@H]1CCC2(CCOCC2)CO1)NCc1c(O)cccc1O ZINC001647289609 1353220053 /nfs/dbraw/zinc/22/00/53/1353220053.db2.gz FCDCYNHGHKFYSA-ZDUSSCGKSA-N 0 0 335.400 2.080 10 10 EECERN COc1ccc(N2CCC(Nc3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001650713800 1354027605 /nfs/dbraw/zinc/02/76/05/1354027605.db2.gz DBNIKZNSLDNHGP-UHFFFAOYSA-N 0 0 331.376 2.418 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC001652927773 1354108686 /nfs/dbraw/zinc/10/86/86/1354108686.db2.gz GHBNKLCJOQKIFQ-DOMZBBRYSA-N 0 0 346.387 2.117 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc3nonc3c2)c1 ZINC001685598791 1358337921 /nfs/dbraw/zinc/33/79/21/1358337921.db2.gz ZMCYBOOBLOKMFZ-JTQLQIEISA-N 0 0 342.355 2.497 10 10 EECERN CCN(CCNC(=O)[C@H]1C[C@H]1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001688385230 1358938966 /nfs/dbraw/zinc/93/89/66/1358938966.db2.gz AIKPEBYPQCZEMF-RISCZKNCSA-N 0 0 345.403 2.083 10 10 EECERN O=C(NCCCSc1nccs1)NCCOC1CCOCC1 ZINC000921447299 773379332 /nfs/dbraw/zinc/37/93/32/773379332.db2.gz DUFAHOBGGSWRDU-UHFFFAOYSA-N 0 0 345.490 2.120 10 10 EECERN CC1(C)CCC[C@H](CS(=O)(=O)NCc2c(O)cccc2F)O1 ZINC000921451910 773382592 /nfs/dbraw/zinc/38/25/92/773382592.db2.gz YMYOUHZQQRPQRJ-LLVKDONJSA-N 0 0 331.409 2.298 10 10 EECERN COc1ccc(N2CCC(NC(=O)/C=C/c3ccncn3)CC2)cc1 ZINC000181939892 778065607 /nfs/dbraw/zinc/06/56/07/778065607.db2.gz NINCKQOGWBJGJX-FARCUNLSSA-N 0 0 338.411 2.284 10 10 EECERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183464745 781008274 /nfs/dbraw/zinc/00/82/74/781008274.db2.gz ZMSHYBXXYWFDDQ-SECBINFHSA-N 0 0 331.328 2.070 10 10 EECERN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H](O)CN1CCOCC1 ZINC000817299215 784664654 /nfs/dbraw/zinc/66/46/54/784664654.db2.gz WSFKNNUBNMNPKH-ZWKOTPCHSA-N 0 0 348.487 2.023 10 10 EECERN C[C@H](NC(=O)[C@@H](C)c1ccnn1C)c1ccc(N2CCOCC2)cc1 ZINC000817429418 784782916 /nfs/dbraw/zinc/78/29/16/784782916.db2.gz RNBZXVFEGYDFMI-GJZGRUSLSA-N 0 0 342.443 2.238 10 10 EECERN COC(=O)CCCCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819590249 785599202 /nfs/dbraw/zinc/59/92/02/785599202.db2.gz XNSLQTDUGPOXMT-OAHLLOKOSA-N 0 0 348.443 2.371 10 10 EECERN COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000820036116 785774453 /nfs/dbraw/zinc/77/44/53/785774453.db2.gz XYBHMKKOLQPGNI-DOTOQJQBSA-N 0 0 348.443 2.036 10 10 EECERN CCOC(=O)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)on1 ZINC000822496011 787242066 /nfs/dbraw/zinc/24/20/66/787242066.db2.gz WZCYXOGCXFOVEH-UHFFFAOYSA-N 0 0 343.383 2.382 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ncccc3OC)C2)cc1 ZINC000822512610 787252403 /nfs/dbraw/zinc/25/24/03/787252403.db2.gz GIGCTDQNXKPDJQ-CYBMUJFWSA-N 0 0 342.399 2.499 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1cnn(C)n1 ZINC000822648461 787314440 /nfs/dbraw/zinc/31/44/40/787314440.db2.gz SSJGQVVAVDSTCD-UHFFFAOYSA-N 0 0 329.448 2.251 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)[C@H]1CCCO1 ZINC000911303466 787367358 /nfs/dbraw/zinc/36/73/58/787367358.db2.gz JCWGFROEKJXSCU-CZUORRHYSA-N 0 0 335.400 2.099 10 10 EECERN COc1cccc(CNC(=O)NCc2c(C3CCC3)cnn2C)c1O ZINC000822910001 787456320 /nfs/dbraw/zinc/45/63/20/787456320.db2.gz LZKBCHBYYVQYNF-UHFFFAOYSA-N 0 0 344.415 2.401 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCC1(CC(N)=O)CCCCC1 ZINC000823858560 787965369 /nfs/dbraw/zinc/96/53/69/787965369.db2.gz PFHIBMGPOIMDBV-UHFFFAOYSA-N 0 0 333.432 2.360 10 10 EECERN CN=[S@](C)(=O)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000912781298 788361478 /nfs/dbraw/zinc/36/14/78/788361478.db2.gz IQYCJAJPDFLZCF-XMMPIXPASA-N 0 0 347.484 2.480 10 10 EECERN C[C@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000923045213 788701127 /nfs/dbraw/zinc/70/11/27/788701127.db2.gz OVGGSOASUKBOJA-YOEHRIQHSA-N 0 0 348.443 2.069 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3CN(C)C(=O)[C@H]3C)c2C)cc1 ZINC000844103605 788847559 /nfs/dbraw/zinc/84/75/59/788847559.db2.gz QNEIPYOBSIXBAJ-CQSZACIVSA-N 0 0 341.411 2.363 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1coc(S(C)(=O)=O)c1 ZINC000845791768 789948634 /nfs/dbraw/zinc/94/86/34/789948634.db2.gz SDRHNAVMBHXSJF-UHFFFAOYSA-N 0 0 337.397 2.441 10 10 EECERN CCOc1ccc(O)c(CN2CCn3c(CC4CC4)nnc3C2)c1 ZINC000846014185 790022739 /nfs/dbraw/zinc/02/27/39/790022739.db2.gz QHYAGTXVIMQXQV-UHFFFAOYSA-N 0 0 328.416 2.351 10 10 EECERN CC[C@@H](OCCNC(=O)C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000846321676 790130454 /nfs/dbraw/zinc/13/04/54/790130454.db2.gz IMRWYUSICWXVSO-QGZVFWFLSA-N 0 0 341.411 2.491 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2ccnc3[nH]cnc32)cc1 ZINC000846442416 790185287 /nfs/dbraw/zinc/18/52/87/790185287.db2.gz QFKWYKSREFZHMO-UHFFFAOYSA-N 0 0 339.399 2.175 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186419965 793347561 /nfs/dbraw/zinc/34/75/61/793347561.db2.gz DJDGCJKUIHNMBO-UHFFFAOYSA-N 0 0 338.367 2.076 10 10 EECERN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H](C)c1ccccc1O)C2=O ZINC001171716981 796701855 /nfs/dbraw/zinc/70/18/55/796701855.db2.gz GPDYHUFJLCZXMS-GFCCVEGCSA-N 0 0 338.363 2.174 10 10 EECERN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000131773973 797417162 /nfs/dbraw/zinc/41/71/62/797417162.db2.gz WHDWEOOZMLMZDF-UHFFFAOYSA-N 0 0 349.394 2.356 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2C[C@@H](F)C[C@H]2C(F)(F)F)cc1 ZINC001176965711 798661892 /nfs/dbraw/zinc/66/18/92/798661892.db2.gz QBUPQCQMUDTYBR-JSGCOSHPSA-N 0 0 347.356 2.344 10 10 EECERN Cn1nccc1C(NCc1ccc2c(c1)CCCO2)c1ccnn1C ZINC000922298391 800378596 /nfs/dbraw/zinc/37/85/96/800378596.db2.gz QOJFQLGPXMRDLC-UHFFFAOYSA-N 0 0 337.427 2.358 10 10 EECERN COCC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCOC1 ZINC000787334321 807080389 /nfs/dbraw/zinc/08/03/89/807080389.db2.gz JKRGYMNXXVJTRA-LBPRGKRZSA-N 0 0 330.768 2.191 10 10 EECERN CC(=O)C(=O)COC(=O)C=Cc1ccc(C)cc1Br ZINC000808495265 812665011 /nfs/dbraw/zinc/66/50/11/812665011.db2.gz OVOUTDUIMITNQD-AATRIKPKSA-N 0 0 325.158 2.472 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc(CCc2ccccc2)ccc1O ZINC000808512429 812682287 /nfs/dbraw/zinc/68/22/87/812682287.db2.gz SIYXLGCEMRMBII-UHFFFAOYSA-N 0 0 326.348 2.492 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000808517833 812687687 /nfs/dbraw/zinc/68/76/87/812687687.db2.gz OPJWIKGGPPOXGF-LJQANCHMSA-N 0 0 337.375 2.492 10 10 EECERN Cc1cc(C)n(-c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cn2)n1 ZINC001440600493 1093864982 /nfs/dbraw/zinc/86/49/82/1093864982.db2.gz BEDXYWNOTSUUIQ-UHFFFAOYSA-N 0 0 338.367 2.477 10 10 EECERN COc1ccc(C(=O)NCc2cc(C)ccc2O)cc1S(C)(=O)=O ZINC001453651735 1106364751 /nfs/dbraw/zinc/36/47/51/1106364751.db2.gz PLMPTKDIVMQXMP-UHFFFAOYSA-N 0 0 349.408 2.043 10 10 EECERN C[C@H](NC(=O)[C@]1(C)Oc2ccccc2NC1=O)c1ccccc1O ZINC001454815412 1107709009 /nfs/dbraw/zinc/70/90/09/1107709009.db2.gz FGRDTRBZVUBVFP-VOJFVSQTSA-N 0 0 326.352 2.359 10 10 EECERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc(O)ccc1O ZINC001455349233 1108466017 /nfs/dbraw/zinc/46/60/17/1108466017.db2.gz PRJSVQODFRIQRN-JTQLQIEISA-N 0 0 348.786 2.186 10 10 EECERN CCCS(=O)(=O)c1ccccc1C(=O)NCc1c(O)cccc1O ZINC001456232642 1109117759 /nfs/dbraw/zinc/11/77/59/1109117759.db2.gz AJBXLBKDHCZBQR-UHFFFAOYSA-N 0 0 349.408 2.212 10 10 EECERN CCOC(=O)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC001465981368 1110427580 /nfs/dbraw/zinc/42/75/80/1110427580.db2.gz LIOAQMQLNCDXDG-QGZVFWFLSA-N 0 0 343.379 2.103 10 10 EECERN CC(=O)NCc1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001466790294 1110443835 /nfs/dbraw/zinc/44/38/35/1110443835.db2.gz FGRJBGMWVYQDOE-LBPRGKRZSA-N 0 0 342.395 2.095 10 10 EECERN COc1cc(CCC(=O)NCc2cc(O)ccc2O)cc(OC)c1 ZINC001471661155 1110527636 /nfs/dbraw/zinc/52/76/36/1110527636.db2.gz SEMPYNYZKSKARW-UHFFFAOYSA-N 0 0 331.368 2.364 10 10 EECERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2cc(O)ccc2O)C1 ZINC001471661854 1110527805 /nfs/dbraw/zinc/52/78/05/1110527805.db2.gz FKYXTRQPXJDGBU-CYBMUJFWSA-N 0 0 348.399 2.328 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(NC(=O)C2CC2)cc1 ZINC001472064430 1110540798 /nfs/dbraw/zinc/54/07/98/1110540798.db2.gz WRTUYHJBNWCDEY-UHFFFAOYSA-N 0 0 326.352 2.376 10 10 EECERN CN(C)c1ccc(CNC(=O)Cc2cnn3ccccc23)cc1F ZINC001519266658 1119076654 /nfs/dbraw/zinc/07/66/54/1119076654.db2.gz ZHHSFTGNQRHJHH-UHFFFAOYSA-N 0 0 326.375 2.398 10 10 EECERN CC1(C)C[C@](C)(NC(=O)NCc2cccc(Cl)c2O)C(=O)O1 ZINC001520140022 1119131212 /nfs/dbraw/zinc/13/12/12/1119131212.db2.gz UYZUBNVNMFGXBI-HNNXBMFYSA-N 0 0 326.780 2.329 10 10 EECERN CC(C)(C)C(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001522940353 1119556279 /nfs/dbraw/zinc/55/62/79/1119556279.db2.gz OKSASCRJXRRNMZ-UHFFFAOYSA-N 0 0 333.392 2.131 10 10 EECERN CN1C(=O)CC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001525595208 1120345977 /nfs/dbraw/zinc/34/59/77/1120345977.db2.gz YLGKKPDZFBZJDG-MRXNPFEDSA-N 0 0 348.358 2.021 10 10 EECERN COc1ncc(/C=C/C(=O)N2CCOc3c(F)cc(F)cc32)cn1 ZINC001531035783 1122231072 /nfs/dbraw/zinc/23/10/72/1122231072.db2.gz CCHBOBTYLWJFRI-NSCUHMNNSA-N 0 0 333.294 2.202 10 10 EECERN COc1ncc(/C=C\C(=O)N(C)c2cccnc2N2CCCC2)cn1 ZINC001542558175 1124114195 /nfs/dbraw/zinc/11/41/95/1124114195.db2.gz FNENFLRZJKLZMF-FPLPWBNLSA-N 0 0 339.399 2.157 10 10 EECERN CC1=NC(c2ccc(NC(=O)c3ccn4nccc4n3)cc2)=S=C1 ZINC001542643467 1124115093 /nfs/dbraw/zinc/11/50/93/1124115093.db2.gz UWVSGVASZRCGSP-UHFFFAOYSA-N 0 0 335.392 2.470 10 10 EECERN CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1[O-] ZINC000375861342 529658374 /nfs/dbraw/zinc/65/83/74/529658374.db2.gz MYUGFWNZZUZEBR-JKSUJKDBSA-N 0 0 336.407 2.352 10 10 EECERN CN1CCCc2cc(/C=C\C(=O)NCCNc3cnccn3)ccc21 ZINC000098052645 219073788 /nfs/dbraw/zinc/07/37/88/219073788.db2.gz KOWYOSPQWGKXFG-ALCCZGGFSA-N 0 0 337.427 2.101 10 10 EECERN COc1ccc(CNC(=O)CN(C)c2ccc(OC)cc2OC)cc1 ZINC000131728226 533580351 /nfs/dbraw/zinc/58/03/51/533580351.db2.gz GLBVJZUVLZTOAK-UHFFFAOYSA-N 0 0 344.411 2.465 10 10 EECERN CC[C@@H](C)NC(=O)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O ZINC000065239710 280105382 /nfs/dbraw/zinc/10/53/82/280105382.db2.gz JMZNIPZXKLKUTG-SNVBAGLBSA-N 0 0 338.404 2.340 10 10 EECERN CC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](O)C(F)F ZINC000297104572 465245094 /nfs/dbraw/zinc/24/50/94/465245094.db2.gz GECWQTAPPPMNBP-AAEUAGOBSA-N 0 0 333.354 2.096 10 10 EECERN CCCN1CCn2cc(C(=O)NCc3ccc(N(C)C)cc3)nc2C1 ZINC000075524347 462725755 /nfs/dbraw/zinc/72/57/55/462725755.db2.gz YYCLEUBJCXUIRC-UHFFFAOYSA-N 0 0 341.459 2.105 10 10 EECERN CC(C)CNC(=O)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O ZINC000065239712 462746109 /nfs/dbraw/zinc/74/61/09/462746109.db2.gz MIFSJZUIZZEIFB-UHFFFAOYSA-N 0 0 338.404 2.197 10 10 EECERN Cc1ccc(NC(=O)CCNC(=O)N(C)Cc2ccccc2O)nc1 ZINC000069975822 463362133 /nfs/dbraw/zinc/36/21/33/463362133.db2.gz SNWPHPUFVAUPNU-UHFFFAOYSA-N 0 0 342.399 2.266 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)C3(CCF)CC3)CC2)cc1 ZINC000291217623 464148284 /nfs/dbraw/zinc/14/82/84/464148284.db2.gz HUROZANZUAVFQR-UHFFFAOYSA-N 0 0 349.450 2.073 10 10 EECERN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000271209968 464288425 /nfs/dbraw/zinc/28/84/25/464288425.db2.gz XPXLDOZEDKAQBB-INIZCTEOSA-N 0 0 339.505 2.033 10 10 EECERN CCN1CC(=O)N(Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1=O ZINC000272248878 464535838 /nfs/dbraw/zinc/53/58/38/464535838.db2.gz KSDNCWFCTAWNKB-STQMWFEESA-N 0 0 349.406 2.223 10 10 EECERN CO[C@@]1(C)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000366551038 465795536 /nfs/dbraw/zinc/79/55/36/465795536.db2.gz ZOMPTDQBOKNKPW-INIZCTEOSA-N 0 0 335.360 2.321 10 10 EECERN COC(=O)CCCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000373556469 466845286 /nfs/dbraw/zinc/84/52/86/466845286.db2.gz LLSPFBGDAPWUQD-UHFFFAOYSA-N 0 0 348.443 2.467 10 10 EECERN C[C@@H]1C[C@]2(CCO1)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C[C@H](C)O2 ZINC000373749076 466909103 /nfs/dbraw/zinc/90/91/03/466909103.db2.gz XACIZGWNCHECHU-LPFKUTRNSA-N 0 0 347.411 2.296 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)NCC[C@@H](C)O)CCCC1 ZINC000651356911 471143272 /nfs/dbraw/zinc/14/32/72/471143272.db2.gz AKHBCKKXDIKZAI-CYBMUJFWSA-N 0 0 330.428 2.416 10 10 EECERN CN1CCCc2cc(CNc3ncc([N+](=O)[O-])cc3C(N)=O)ccc21 ZINC000299304744 523863549 /nfs/dbraw/zinc/86/35/49/523863549.db2.gz DHEXZXDUGVGLGT-UHFFFAOYSA-N 0 0 341.371 2.083 10 10 EECERN COc1ccc(O)c(CNC(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000734006360 577270090 /nfs/dbraw/zinc/27/00/90/577270090.db2.gz TZBFACZSUPMKAW-CQSZACIVSA-N 0 0 344.367 2.040 10 10 EECERN COc1ccc(O)c(CNC(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000734006358 577270107 /nfs/dbraw/zinc/27/01/07/577270107.db2.gz TZBFACZSUPMKAW-AWEZNQCLSA-N 0 0 344.367 2.040 10 10 EECERN COc1ccc(O)c(CN(C)Cc2nc(-c3cccnc3)no2)c1 ZINC000775695234 577443010 /nfs/dbraw/zinc/44/30/10/577443010.db2.gz IWLLXKAOIPYPNG-UHFFFAOYSA-N 0 0 326.356 2.478 10 10 EECERN COc1ccc(O[C@H](C)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000770629198 577600258 /nfs/dbraw/zinc/60/02/58/577600258.db2.gz GSZUITKAQRHVCJ-GFCCVEGCSA-N 0 0 331.368 2.233 10 10 EECERN Cc1ccc2c(O)c(C(=O)NCCc3ccc(O)c(O)c3)cnc2n1 ZINC000770630489 577600310 /nfs/dbraw/zinc/60/03/10/577600310.db2.gz NDGTYWRZJWSPJZ-UHFFFAOYSA-N 0 0 339.351 2.028 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)CCc2cnccn2)c([N+](=O)[O-])c1 ZINC000771258004 577612647 /nfs/dbraw/zinc/61/26/47/577612647.db2.gz ABWRKJHONJEFRD-GQCTYLIASA-N 0 0 342.355 2.250 10 10 EECERN COC(=O)N[C@@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000761228653 577679838 /nfs/dbraw/zinc/67/98/38/577679838.db2.gz GKDHDQARMWUBCI-AWEZNQCLSA-N 0 0 343.427 2.497 10 10 EECERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCOC(C)(C)C)c1 ZINC000866841432 674589460 /nfs/dbraw/zinc/58/94/60/674589460.db2.gz BXOCPODPYIOLTD-LLVKDONJSA-N 0 0 331.434 2.196 10 10 EECERN COCc1nc(C(=O)NCc2cc(Br)ccc2O)co1 ZINC000804735371 675609635 /nfs/dbraw/zinc/60/96/35/675609635.db2.gz WGMGFSOPFLLVFU-UHFFFAOYSA-N 0 0 341.161 2.219 10 10 EECERN NC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804738476 675611493 /nfs/dbraw/zinc/61/14/93/675611493.db2.gz RLRKWAKCSJCJMX-UHFFFAOYSA-N 0 0 349.184 2.184 10 10 EECERN C[C@](O)(CC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000804740621 675612476 /nfs/dbraw/zinc/61/24/76/675612476.db2.gz JWYKSBGTKARTTQ-AWEZNQCLSA-N 0 0 328.206 2.322 10 10 EECERN Cc1ccccc1C(=O)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000018215353 682973036 /nfs/dbraw/zinc/97/30/36/682973036.db2.gz IMLHEHCWQDKHTE-UHFFFAOYSA-N 0 0 325.412 2.107 10 10 EECERN Cc1nnc(CN2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)[nH]1 ZINC000895263450 684407654 /nfs/dbraw/zinc/40/76/54/684407654.db2.gz ULQLRTQYAYFDFC-PLNGDYQASA-N 0 0 340.475 2.010 10 10 EECERN CC(C)(C)N1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O ZINC000898078887 691867840 /nfs/dbraw/zinc/86/78/40/691867840.db2.gz NSNZMLJZTGLKCN-SNVBAGLBSA-N 0 0 348.424 2.442 10 10 EECERN CN1C(=O)C(=CN[C@@H](c2ccc(Cl)cc2)C2CC2)C(=O)N(C)C1=O ZINC000072680474 1192898648 /nfs/dbraw/zinc/89/86/48/1192898648.db2.gz LQRSVMQIPHQXRQ-CQSZACIVSA-N 0 0 347.802 2.315 10 10 EECERN Oc1cc2c(cc1CN1CCS[C@H](C(F)(F)F)C1)[C@H](O)CO2 ZINC000905705464 1189874606 /nfs/dbraw/zinc/87/46/06/1189874606.db2.gz NQEAYDMNKHDLKO-YPMHNXCESA-N 0 0 335.347 2.298 10 10 EECERN COc1ccc(C[NH2+][C@H](CO)CNC(=O)C2=CCCCCC2)cc1C ZINC001485990427 1193662056 /nfs/dbraw/zinc/66/20/56/1193662056.db2.gz UIJUHDFDLNOAMT-SFHVURJKSA-N 0 0 346.471 2.461 10 10 EECERN CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(N)cc1 ZINC000863557193 1197808171 /nfs/dbraw/zinc/80/81/71/1197808171.db2.gz JFQZBCXZJTXMEJ-UHFFFAOYSA-N 0 0 338.411 2.469 10 10 EECERN c1c(COc2ccc(N3CCCC3)cc2)nnn1C[C@H]1CCOC1 ZINC000871736676 1197866004 /nfs/dbraw/zinc/86/60/04/1197866004.db2.gz UKRWJCMZTGMKLE-OAHLLOKOSA-N 0 0 328.416 2.494 10 10 EECERN CC(C)C[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCNC1=O ZINC000864862365 1197971061 /nfs/dbraw/zinc/97/10/61/1197971061.db2.gz KBMOFVSSPGIALB-FQEVSTJZSA-N 0 0 343.471 2.455 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3nnc(C4CC4)o3)C2)cc1 ZINC000866010463 1198453693 /nfs/dbraw/zinc/45/36/93/1198453693.db2.gz JJLYEMYIUNJVPJ-LBPRGKRZSA-N 0 0 342.399 2.212 10 10 EECERN C[C@@H]([NH2+]C1COCCOC1)c1cc(Br)cc(F)c1[O-] ZINC000813879522 1199202620 /nfs/dbraw/zinc/20/26/20/1199202620.db2.gz MVJSVUIWWDWBEQ-MRVPVSSYSA-N 0 0 334.185 2.360 10 10 EECERN COC[C@H]1CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000814363957 1199445478 /nfs/dbraw/zinc/44/54/78/1199445478.db2.gz SEWFGVVNUVATMW-MRXNPFEDSA-N 0 0 335.473 2.170 10 10 EECERN O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1Cc2cccc(O)c2C1 ZINC000871198287 1201096293 /nfs/dbraw/zinc/09/62/93/1201096293.db2.gz GDOUEEWCNXSDKM-HNNXBMFYSA-N 0 0 343.427 2.162 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C)nn1 ZINC000866442776 1201519063 /nfs/dbraw/zinc/51/90/63/1201519063.db2.gz SFGYVIHPEYSPKG-UHFFFAOYSA-N 0 0 334.445 2.062 10 10 EECERN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000866769349 1201601948 /nfs/dbraw/zinc/60/19/48/1201601948.db2.gz KEQCRFASBHZUCC-INIZCTEOSA-N 0 0 341.363 2.447 10 10 EECERN CC(C)C[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCNC1=O ZINC000866769518 1201602095 /nfs/dbraw/zinc/60/20/95/1201602095.db2.gz MOGRJKNYYHXRMC-FQEVSTJZSA-N 0 0 344.455 2.440 10 10 EECERN COc1cc(C)c(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC000867689183 1201659621 /nfs/dbraw/zinc/65/96/21/1201659621.db2.gz IRSQSLBEHUTVTD-UHFFFAOYSA-N 0 0 349.408 2.422 10 10 EECERN CO[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000868130621 1201749815 /nfs/dbraw/zinc/74/98/15/1201749815.db2.gz PBVSQZUWYDRWPQ-MAUKXSAKSA-N 0 0 347.459 2.232 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](C)O[C@H]3C)C2)cc1 ZINC000868762435 1201874368 /nfs/dbraw/zinc/87/43/68/1201874368.db2.gz OHXLLPAEHVTJQJ-AYMQEEERSA-N 0 0 333.432 2.139 10 10 EECERN O=C(NC[C@H]1CCCN1CC(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000926529623 1206226093 /nfs/dbraw/zinc/22/60/93/1206226093.db2.gz HAXLSYMEZYJFFM-GFCCVEGCSA-N 0 0 343.349 2.444 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3ccnc(C#N)c3)CC2)cc1 ZINC000193080431 1210717545 /nfs/dbraw/zinc/71/75/45/1210717545.db2.gz VTWFOCKVKCHLNM-UHFFFAOYSA-N 0 0 336.395 2.361 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)c2cscn2)cc1 ZINC000827013678 1249141780 /nfs/dbraw/zinc/14/17/80/1249141780.db2.gz WCUGOGNDOOKCID-UHFFFAOYSA-N 0 0 325.459 2.468 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/Cn1cncn1 ZINC000900292745 1234168775 /nfs/dbraw/zinc/16/87/75/1234168775.db2.gz ISRRWKSRBZCLJW-AATRIKPKSA-N 0 0 327.432 2.338 10 10 EECERN CN(C)Cc1csc(CNC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000902885159 1238874231 /nfs/dbraw/zinc/87/42/31/1238874231.db2.gz WGOLAPPVCTZIFK-UHFFFAOYSA-N 0 0 347.488 2.270 10 10 EECERN C[C@H]1CCCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000803688463 1241340605 /nfs/dbraw/zinc/34/06/05/1241340605.db2.gz RKWFHGYFEWPYKL-HNNXBMFYSA-N 0 0 343.471 2.334 10 10 EECERN Nc1ccc(CCNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)cc1 ZINC000851631442 1277692902 /nfs/dbraw/zinc/69/29/02/1277692902.db2.gz BRLQIKQJYLNXEC-QZTJIDSGSA-N 0 0 326.396 2.084 10 10 EECERN COc1ccc(O)c([C@@H](C)NCC2=NS(=O)(=O)c3ccccc32)c1 ZINC001192781369 1282166340 /nfs/dbraw/zinc/16/63/40/1282166340.db2.gz VXAVENMGFJXPJM-LLVKDONJSA-N 0 0 346.408 2.243 10 10 EECERN COc1ccc(N(C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc1 ZINC000852210066 1292040119 /nfs/dbraw/zinc/04/01/19/1292040119.db2.gz XHSANSGIHOLEHY-OAHLLOKOSA-N 0 0 334.416 2.074 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)O[C@@H](C)[C@H]3C)C2)cc1 ZINC000852451943 1292117695 /nfs/dbraw/zinc/11/76/95/1292117695.db2.gz RJISWTWKKXPNHV-FZKCQIBNSA-N 0 0 347.459 2.481 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)CC(C)(C)C)C2)cc1 ZINC000852455197 1292118510 /nfs/dbraw/zinc/11/85/10/1292118510.db2.gz RYGVTVNYDWHKBV-LSDHHAIUSA-N 0 0 349.475 2.370 10 10 EECERN Cc1cc(CC(=O)OCC(=O)N2CCC2)c(C)n1-c1ccccc1 ZINC000853933357 1292537356 /nfs/dbraw/zinc/53/73/56/1292537356.db2.gz BFTPIBWQIPXMBJ-UHFFFAOYSA-N 0 0 326.396 2.412 10 10 EECERN Cc1cc(CC(=O)N[C@H]2C(=O)NCC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000854337417 1292734215 /nfs/dbraw/zinc/73/42/15/1292734215.db2.gz YODFNRLJDCCCGO-ORAYPTAESA-N 0 0 339.439 2.277 10 10 EECERN CO[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCOC1 ZINC000855208187 1293111218 /nfs/dbraw/zinc/11/12/18/1293111218.db2.gz XJRUOUDDCMYZJF-DOTOQJQBSA-N 0 0 343.427 2.270 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCOCC(F)F)C2)cc1 ZINC000855224360 1293116391 /nfs/dbraw/zinc/11/63/91/1293116391.db2.gz KAOVRVDWZKSFCG-GFCCVEGCSA-N 0 0 328.359 2.062 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3cc(C4CC4)no3)C2)cc1 ZINC000855225351 1293117385 /nfs/dbraw/zinc/11/73/85/1293117385.db2.gz KIWXQFIOBSJFBW-CQSZACIVSA-N 0 0 341.411 2.498 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(F)ccnc3F)C2)cc1 ZINC000855225652 1293117806 /nfs/dbraw/zinc/11/78/06/1293117806.db2.gz LCADCTAUXSQAFD-LLVKDONJSA-N 0 0 333.338 2.377 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ncc(C)cc3OC)C2)cc1 ZINC000855226896 1293118826 /nfs/dbraw/zinc/11/88/26/1293118826.db2.gz UCYRQWWXYSNOMI-CQSZACIVSA-N 0 0 341.411 2.416 10 10 EECERN Cc1cc(O)c(CNC(c2ccnn2C)c2ccnn2C)cc1C ZINC000858321390 1294082396 /nfs/dbraw/zinc/08/23/96/1294082396.db2.gz AZWYJLXZUAIHBI-UHFFFAOYSA-N 0 0 325.416 2.355 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858907403 1294257963 /nfs/dbraw/zinc/25/79/63/1294257963.db2.gz NQJNHIRMGRRVJV-YJBOKZPZSA-N 0 0 347.459 2.340 10 10 EECERN O=C(NCCCSc1nccs1)[C@H]1CNC(=O)c2ccccc21 ZINC000859351058 1294405055 /nfs/dbraw/zinc/40/50/55/1294405055.db2.gz JRTXFUXHVDZTNG-ZDUSSCGKSA-N 0 0 347.465 2.269 10 10 EECERN CCc1ccc(CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001118935365 1308961724 /nfs/dbraw/zinc/96/17/24/1308961724.db2.gz MROZZWVWQGMBAI-UHFFFAOYSA-N 0 0 338.407 2.455 10 10 EECERN COc1cc(CCC(=O)NCc2cccc(O)c2O)cc(OC)c1 ZINC001123888419 1310751752 /nfs/dbraw/zinc/75/17/52/1310751752.db2.gz JBVYLNXORLVAHD-UHFFFAOYSA-N 0 0 331.368 2.364 10 10 EECERN COC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(C)nc2)c2ccccc2O1 ZINC001124735581 1310943554 /nfs/dbraw/zinc/94/35/54/1310943554.db2.gz WHLKPEUMRDSELZ-OAGJVSPASA-N 0 0 338.363 2.370 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCCC3)[C@H]2CCC[C@H]21 ZINC000840142071 1315307255 /nfs/dbraw/zinc/30/72/55/1315307255.db2.gz BPRWYSRSEQHMQM-FUHWJXTLSA-N 0 0 335.469 2.423 10 10 EECERN Cc1cc(Br)cc(CN2CCO[C@H]([C@@H](C)O)C2)c1O ZINC000840977455 1315450288 /nfs/dbraw/zinc/45/02/88/1315450288.db2.gz HYHBHXPICWOCFG-MFKMUULPSA-N 0 0 330.222 2.045 10 10 EECERN Cn1cc([C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])cn1 ZINC000841807876 1315615955 /nfs/dbraw/zinc/61/59/55/1315615955.db2.gz VEFITDQWEDGLQT-KRWDZBQOSA-N 0 0 328.416 2.326 10 10 EECERN CCc1noc([C@@H]2CC[C@H](NC(=O)NCc3ccccc3O)C2)n1 ZINC001255966477 1318580408 /nfs/dbraw/zinc/58/04/08/1318580408.db2.gz OHDHZJXXGBWOGW-YPMHNXCESA-N 0 0 330.388 2.473 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC001299571403 1319512130 /nfs/dbraw/zinc/51/21/30/1319512130.db2.gz VWSHBVFTSZGRAI-CQSZACIVSA-N 0 0 344.367 2.002 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001299574017 1319527249 /nfs/dbraw/zinc/52/72/49/1319527249.db2.gz NNPPLCLGPBONAE-UHFFFAOYSA-N 0 0 345.305 2.492 10 10 EECERN O=C(Cn1c(=O)[nH]c2ccccc21)NCc1cccc(Cl)c1O ZINC001159034372 1319572442 /nfs/dbraw/zinc/57/24/42/1319572442.db2.gz SPRNEIBOBWMLNE-UHFFFAOYSA-N 0 0 331.759 2.417 10 10 EECERN CC[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284265571 1326480526 /nfs/dbraw/zinc/48/05/26/1326480526.db2.gz DWZJOEZQXXTHPK-GHMZBOCLSA-N 0 0 333.392 2.130 10 10 EECERN CC(=O)N1CCC[C@@](C)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001286163887 1327321754 /nfs/dbraw/zinc/32/17/54/1327321754.db2.gz YMPYQCJSULUEOR-KRWDZBQOSA-N 0 0 345.403 2.227 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001296637985 1329905321 /nfs/dbraw/zinc/90/53/21/1329905321.db2.gz OPVVCXJWUVEXEN-UHFFFAOYSA-N 0 0 331.290 2.010 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@H](CO)c1ccc(Cl)cc1 ZINC001303289503 1331352394 /nfs/dbraw/zinc/35/23/94/1331352394.db2.gz BUWHEGOZPAKTLY-CYBMUJFWSA-N 0 0 335.787 2.186 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)NCc2cccc(Cl)c2O)c1 ZINC001305069549 1331408402 /nfs/dbraw/zinc/40/84/02/1331408402.db2.gz JQCOZJPAGQAHQV-AATRIKPKSA-N 0 0 345.786 2.130 10 10 EECERN Cc1cn2c(n1)C[C@@H](C(=O)NCc1ccc3c(c1)CCCN3C)CC2 ZINC001331552336 1335036136 /nfs/dbraw/zinc/03/61/36/1335036136.db2.gz CUCGEGYTAQATNU-KRWDZBQOSA-N 0 0 338.455 2.453 10 10 EECERN C[C@H](NC(=O)C(=O)NCC[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC001334161953 1336214844 /nfs/dbraw/zinc/21/48/44/1336214844.db2.gz QJPSUZGSKDYSLW-XCRHUMRWSA-N 0 0 343.471 2.482 10 10 EECERN CCCC(=O)N[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001337265166 1336673090 /nfs/dbraw/zinc/67/30/90/1336673090.db2.gz QEOCQRZYAHYOQX-NSHDSACASA-N 0 0 333.392 2.226 10 10 EECERN CC(C)(C)OC(=O)CC1(NC(=O)Cc2ccc(O)c(O)c2)CCC1 ZINC001300246494 1338230451 /nfs/dbraw/zinc/23/04/51/1338230451.db2.gz LTKGKXQMEAZQDF-UHFFFAOYSA-N 0 0 335.400 2.411 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(-c2ccccc2)n1 ZINC001556515965 1342430298 /nfs/dbraw/zinc/43/02/98/1342430298.db2.gz UCLZCLBQYLGKOJ-UHFFFAOYSA-N 0 0 343.383 2.389 10 10 EECERN C[C@](CO)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001557283011 1342444910 /nfs/dbraw/zinc/44/49/10/1342444910.db2.gz DZFXZCLSEQSTAD-QGZVFWFLSA-N 0 0 326.356 2.487 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc(-c2ccccc2O)n[nH]1 ZINC001597573865 1349928268 /nfs/dbraw/zinc/92/82/68/1349928268.db2.gz IKIKWPGMXJBGLL-UHFFFAOYSA-N 0 0 325.324 2.124 10 10 EECERN Cc1[nH]c(C=O)cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001597907962 1349933155 /nfs/dbraw/zinc/93/31/55/1349933155.db2.gz JYTBDHUHCAZEOD-CYBMUJFWSA-N 0 0 341.411 2.463 10 10 EECERN Cn1ncc2c1CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001626435955 1352463244 /nfs/dbraw/zinc/46/32/44/1352463244.db2.gz CTRMXNSKRGSVCZ-UHFFFAOYSA-N 0 0 326.360 2.171 10 10 EECERN Nc1cc(Br)ccc1C(=O)NCc1ccc(O)cc1O ZINC001626847627 1352474929 /nfs/dbraw/zinc/47/49/29/1352474929.db2.gz FIQROPXTYMXCSX-UHFFFAOYSA-N 0 0 337.173 2.373 10 10 EECERN CC(C)N1C(=S)N=NC1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001633591177 1352614109 /nfs/dbraw/zinc/61/41/09/1352614109.db2.gz DAZYQJXUESQCCI-UHFFFAOYSA-N 0 0 347.404 2.240 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ncn(C)c21 ZINC001638347920 1352687667 /nfs/dbraw/zinc/68/76/67/1352687667.db2.gz MWSZOKLXPRGVCI-NSHDSACASA-N 0 0 325.368 2.346 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cnn(-c2cccnc2)c1 ZINC001643283232 1352745089 /nfs/dbraw/zinc/74/50/89/1352745089.db2.gz MDUUPCRLYIBHJO-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN O=C(Cn1c(=O)oc2ccccc21)NCc1ccc2cccnc2c1O ZINC001643283246 1352745191 /nfs/dbraw/zinc/74/51/91/1352745191.db2.gz MUVRWMZQDFENSW-UHFFFAOYSA-N 0 0 349.346 2.165 10 10 EECERN COC(CNC(=O)/C=C\c1ccc(O)c(O)c1)(OC)c1ccccc1 ZINC001647991153 1353412831 /nfs/dbraw/zinc/41/28/31/1353412831.db2.gz KOQFJVBPDHAYDX-LUAWRHEFSA-N 0 0 343.379 2.373 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](c2nccn2C)C1 ZINC001673545112 1356708398 /nfs/dbraw/zinc/70/83/98/1356708398.db2.gz COYWFYWVALYSEW-HOCLYGCPSA-N 0 0 344.415 2.187 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC001673545105 1356708470 /nfs/dbraw/zinc/70/84/70/1356708470.db2.gz COYWFYWVALYSEW-GDBMZVCRSA-N 0 0 344.415 2.187 10 10 EECERN C[C@@H](NC(=O)NCc1nc(C(F)(F)F)no1)c1ccccc1O ZINC001683795309 1358201148 /nfs/dbraw/zinc/20/11/48/1358201148.db2.gz BUPTURQMQDQOGF-SSDOTTSWSA-N 0 0 330.266 2.354 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2ccnc3[nH]c(=O)[nH]c32)cc1 ZINC001141868997 782610509 /nfs/dbraw/zinc/61/05/09/782610509.db2.gz QMOCVWWBUSECNW-UHFFFAOYSA-N 0 0 339.399 2.440 10 10 EECERN COCCCOC1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000179681892 774170027 /nfs/dbraw/zinc/17/00/27/774170027.db2.gz MYHJLEPCHQFGGJ-UHFFFAOYSA-N 0 0 345.443 2.010 10 10 EECERN Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c(O)c1O ZINC000924276506 780092340 /nfs/dbraw/zinc/09/23/40/780092340.db2.gz XXAZMUDGSFSKOB-ZIVKBKJYSA-N 0 0 335.400 2.109 10 10 EECERN O=C(CC1(O)CCOCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000906433185 783898922 /nfs/dbraw/zinc/89/89/22/783898922.db2.gz JHPWPRGTHOAAGK-UHFFFAOYSA-N 0 0 332.444 2.225 10 10 EECERN CN(C)c1ccc(CNC(=O)c2coc3c2C(=O)NCCC3)cc1F ZINC000906453625 783924516 /nfs/dbraw/zinc/92/45/16/783924516.db2.gz KIEXJAFDHYAPFD-UHFFFAOYSA-N 0 0 345.374 2.091 10 10 EECERN Cc1cc(Br)cc(CN2CC3(C2)CN(C)C(=O)O3)c1O ZINC000817415890 784767246 /nfs/dbraw/zinc/76/72/46/784767246.db2.gz JDZJWZWSLGDLTP-UHFFFAOYSA-N 0 0 341.205 2.100 10 10 EECERN C[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccnn1C ZINC000817597130 784858163 /nfs/dbraw/zinc/85/81/63/784858163.db2.gz SQHFNWDZLYMKTR-SECBINFHSA-N 0 0 338.205 2.308 10 10 EECERN C[C@H](NC(=O)/C=C\[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000819165888 785440974 /nfs/dbraw/zinc/44/09/74/785440974.db2.gz GFPDRAYYXOVLSC-QLSXZMNESA-N 0 0 330.428 2.436 10 10 EECERN COc1ccc(N2CCN(C(=O)/C=C/[C@H]3CCCO3)CC2)cc1F ZINC000819367528 785535298 /nfs/dbraw/zinc/53/52/98/785535298.db2.gz KHDCFNNMFLUEND-KEDPEKRHSA-N 0 0 334.391 2.218 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3ncc(C)cc3O)C2)cc1 ZINC000819588715 785597704 /nfs/dbraw/zinc/59/77/04/785597704.db2.gz NYWUKWMLEMIKCN-AWEZNQCLSA-N 0 0 341.411 2.361 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)c3cncnc3)C2)cc1 ZINC000819589039 785597946 /nfs/dbraw/zinc/59/79/46/785597946.db2.gz PZZGGVHFPUKKHR-GJZGRUSLSA-N 0 0 340.427 2.231 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000824205741 788083984 /nfs/dbraw/zinc/08/39/84/788083984.db2.gz SFKPVPWXMVKQIE-QDMKHBRRSA-N 0 0 347.434 2.385 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(C2CC2)C1=O ZINC000824234829 788094054 /nfs/dbraw/zinc/09/40/54/788094054.db2.gz UAQNHBNFIRGSIX-UHFFFAOYSA-N 0 0 344.459 2.001 10 10 EECERN CN(Cc1csc(C(C)(C)O)n1)Cc1cc2c(cc1O)OCO2 ZINC000825152649 788439637 /nfs/dbraw/zinc/43/96/37/788439637.db2.gz ATCCRRFMUVJJIF-UHFFFAOYSA-N 0 0 336.413 2.437 10 10 EECERN CN(C)c1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1F ZINC000825202314 788496665 /nfs/dbraw/zinc/49/66/65/788496665.db2.gz QSJGUNMZZOUPFE-HZPDHXFCSA-N 0 0 326.437 2.043 10 10 EECERN COc1cc2c(c(OC)c1)N(C[C@H]1CN(C3CC3)C(=O)O1)CCC2 ZINC000844341365 789013383 /nfs/dbraw/zinc/01/33/83/789013383.db2.gz KABVIVUCFZVEGS-HNNXBMFYSA-N 0 0 332.400 2.440 10 10 EECERN CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000844935389 789470938 /nfs/dbraw/zinc/47/09/38/789470938.db2.gz CSTULWUDZLAFFQ-SNVBAGLBSA-N 0 0 332.194 2.458 10 10 EECERN C[C@@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001147094379 791696869 /nfs/dbraw/zinc/69/68/69/791696869.db2.gz PTLBNDGVWWLETQ-QGZVFWFLSA-N 0 0 326.356 2.487 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cnn3c2[nH]c(=O)c2ccccc23)c1 ZINC001147956580 792082973 /nfs/dbraw/zinc/08/29/73/792082973.db2.gz FVJOENFKFYBGBJ-UHFFFAOYSA-N 0 0 348.362 2.120 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(c2ncc(C3CC3)cn2)C1 ZINC000913620191 793985999 /nfs/dbraw/zinc/98/59/99/793985999.db2.gz NXZMGHSLRGIHQA-QHHAFSJGSA-N 0 0 337.379 2.404 10 10 EECERN CCN1CCO[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715711671 795483187 /nfs/dbraw/zinc/48/31/87/795483187.db2.gz HATUZQRHNCRZRX-LBPRGKRZSA-N 0 0 347.228 2.104 10 10 EECERN NC(=O)N[C@@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001175029552 797970168 /nfs/dbraw/zinc/97/01/68/797970168.db2.gz HRECZZSEKHQLEU-HNNXBMFYSA-N 0 0 325.368 2.034 10 10 EECERN Cc1cc(C)c2c(N)c(C(=O)OCCO[C@@H]3CCOC3)sc2n1 ZINC000922265913 800141558 /nfs/dbraw/zinc/14/15/58/800141558.db2.gz BKXQBMUQKOFOAO-LLVKDONJSA-N 0 0 336.413 2.458 10 10 EECERN Cc1ccc(C(=O)N2CCO[C@H](COc3ccccc3)C2)c(O)c1O ZINC000791157596 809084504 /nfs/dbraw/zinc/08/45/04/809084504.db2.gz ZUDCORRGVNXSHN-HNNXBMFYSA-N 0 0 343.379 2.326 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000808519404 812687866 /nfs/dbraw/zinc/68/78/66/812687866.db2.gz AJHSSWQVMAKSOE-QWRGUYRKSA-N 0 0 330.258 2.390 10 10 EECERN OCc1cc(NCc2ccc(N3CCOCC3)c(F)c2)ncc1F ZINC000809349338 813096550 /nfs/dbraw/zinc/09/65/50/813096550.db2.gz VREBSVWMSXARJG-UHFFFAOYSA-N 0 0 335.354 2.301 10 10 EECERN O=C(Cc1nnc(C2CC2)[nH]1)NCc1ccc(N2CCCC2)cc1 ZINC001441190962 1094549915 /nfs/dbraw/zinc/54/99/15/1094549915.db2.gz WIZJXXCMSLJVHK-UHFFFAOYSA-N 0 0 325.416 2.141 10 10 EECERN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001443388751 1097902481 /nfs/dbraw/zinc/90/24/81/1097902481.db2.gz NWWWJSMFKLPTDZ-UHFFFAOYSA-N 0 0 338.404 2.060 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001445173511 1100431158 /nfs/dbraw/zinc/43/11/58/1100431158.db2.gz NLEXYRRXRPNYRS-MRXNPFEDSA-N 0 0 349.427 2.217 10 10 EECERN Cc1cccc(F)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001446943996 1101632396 /nfs/dbraw/zinc/63/23/96/1101632396.db2.gz UCSJPOSEIWFQSG-UHFFFAOYSA-N 0 0 338.360 2.464 10 10 EECERN CCCN(CCNC(=O)C(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001497204574 1102123856 /nfs/dbraw/zinc/12/38/56/1102123856.db2.gz RJGKOJGLDPGWQC-UHFFFAOYSA-N 0 0 347.419 2.473 10 10 EECERN C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001453264438 1106073493 /nfs/dbraw/zinc/07/34/93/1106073493.db2.gz DWFBSSJIINZCPC-YPUOHESYSA-N 0 0 338.363 2.480 10 10 EECERN CN(C)C(=O)Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001455357780 1108474901 /nfs/dbraw/zinc/47/49/01/1108474901.db2.gz VCIPDQWNWAZWJC-UHFFFAOYSA-N 0 0 329.356 2.121 10 10 EECERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1c(O)cccc1O ZINC001456234716 1109118374 /nfs/dbraw/zinc/11/83/74/1109118374.db2.gz IRNZUNUHNAXYSM-UHFFFAOYSA-N 0 0 332.312 2.335 10 10 EECERN Cc1cc(CC(=O)N2CC=C(N)N2)c(C)n1-c1ccc(Cl)cc1 ZINC001462942822 1110366267 /nfs/dbraw/zinc/36/62/67/1110366267.db2.gz DQHXFOQTDUVLPA-UHFFFAOYSA-N 0 0 330.819 2.437 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1 ZINC001463678629 1110378758 /nfs/dbraw/zinc/37/87/58/1110378758.db2.gz QGPWTLLPKHOKTN-UHFFFAOYSA-N 0 0 340.339 2.322 10 10 EECERN Cc1c(Br)c[nH]c(=O)c1C(=O)NCc1ccccc1O ZINC001465990867 1110427861 /nfs/dbraw/zinc/42/78/61/1110427861.db2.gz VIYUTAYCTXZLTM-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN CCOc1ccc(N2CCN(C(=O)Cc3[nH]cnc3C)CC2)cc1 ZINC001466209282 1110431788 /nfs/dbraw/zinc/43/17/88/1110431788.db2.gz ZIKDBTJRVKRUOL-UHFFFAOYSA-N 0 0 328.416 2.008 10 10 EECERN Cc1cc(CCNC(=O)NC[C@H]2COCO2)c(C)n1-c1ccccc1 ZINC001470968861 1110515406 /nfs/dbraw/zinc/51/54/06/1110515406.db2.gz KVFGLJQLKUYGKW-SFHVURJKSA-N 0 0 343.427 2.309 10 10 EECERN Cc1nnc(-c2ccccc2C(=O)NCc2cc(O)ccc2O)o1 ZINC001471661682 1110527627 /nfs/dbraw/zinc/52/76/27/1110527627.db2.gz XXVSQIZWYRAFEJ-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(Cn1ncc(=O)c2ccccc21)NCc1cccc(Cl)c1O ZINC001472316506 1110551700 /nfs/dbraw/zinc/55/17/00/1110551700.db2.gz ULYSNQPEOOAAFN-UHFFFAOYSA-N 0 0 343.770 2.072 10 10 EECERN CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001515353772 1118968831 /nfs/dbraw/zinc/96/88/31/1118968831.db2.gz ACDJFSKLGAWJEW-AWEZNQCLSA-N 0 0 347.438 2.492 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCOC[C@@H]2CCCO2)cc1 ZINC001542928370 1124117750 /nfs/dbraw/zinc/11/77/50/1124117750.db2.gz FKNXSPYOHVIDLO-AWEZNQCLSA-N 0 0 334.376 2.165 10 10 EECERN Cc1nnc(N2CCO[C@H](C)C2)n1CCCSc1nccs1 ZINC001543344351 1124128094 /nfs/dbraw/zinc/12/80/94/1124128094.db2.gz WVCJHODBCGICRX-LLVKDONJSA-N 0 0 339.490 2.451 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1coc(CO)c1 ZINC001568604975 1124627845 /nfs/dbraw/zinc/62/78/45/1124627845.db2.gz LLDODLBTPUJQQN-UHFFFAOYSA-N 0 0 326.146 2.170 10 10 EECERN CC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](O)C(F)F ZINC000297062269 529514226 /nfs/dbraw/zinc/51/42/26/529514226.db2.gz DDDAQIDHIZBWIC-ZFWWWQNUSA-N 0 0 341.402 2.273 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531631903 317809946 /nfs/dbraw/zinc/80/99/46/317809946.db2.gz GCENVMGBVAMVRE-UHFFFAOYSA-N 0 0 328.328 2.095 10 10 EECERN O=C(Nc1nncs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000047320418 462768578 /nfs/dbraw/zinc/76/85/78/462768578.db2.gz IHWLUXNHIJOODW-LBPRGKRZSA-N 0 0 334.401 2.457 10 10 EECERN C[C@@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCO1 ZINC000119302050 462886800 /nfs/dbraw/zinc/88/68/00/462886800.db2.gz DPDPMYCMBNRERE-IBGZPJMESA-N 0 0 332.444 2.081 10 10 EECERN CCOc1ccc(O)c(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1 ZINC000122484949 463268229 /nfs/dbraw/zinc/26/82/29/463268229.db2.gz RWJVVSUFSMBWEI-KRWDZBQOSA-N 0 0 331.416 2.197 10 10 EECERN COC(C)(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000264545088 464368024 /nfs/dbraw/zinc/36/80/24/464368024.db2.gz RZVGOQPLAGWXSK-BETUJISGSA-N 0 0 338.423 2.481 10 10 EECERN COC(=O)CN(Cc1cc(C)ncn1)Cc1cc(Cl)ccc1O ZINC000293246281 464394681 /nfs/dbraw/zinc/39/46/81/464394681.db2.gz RFCYWSMVABJZNK-UHFFFAOYSA-N 0 0 335.791 2.319 10 10 EECERN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293590696 464413321 /nfs/dbraw/zinc/41/33/21/464413321.db2.gz IKORWGBDLQZUQM-LBPRGKRZSA-N 0 0 340.786 2.106 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cccnc2C(N)=O)cc1F ZINC000274226419 464739021 /nfs/dbraw/zinc/73/90/21/464739021.db2.gz RHZXVVYGEFDGEG-UHFFFAOYSA-N 0 0 344.390 2.096 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177346233 464991144 /nfs/dbraw/zinc/99/11/44/464991144.db2.gz NVPZDRMJZGAIMT-OAHLLOKOSA-N 0 0 328.420 2.021 10 10 EECERN Cc1cc(C(=O)CN2C[C@@H](O)C[C@@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000184727889 465022409 /nfs/dbraw/zinc/02/24/09/465022409.db2.gz DQFFJHXMBJYUJW-MSOLQXFVSA-N 0 0 342.439 2.013 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000299300851 465686740 /nfs/dbraw/zinc/68/67/40/465686740.db2.gz AGEWLPCVKQVWGQ-XVNBXDOJSA-N 0 0 331.372 2.065 10 10 EECERN CO[C@]1(C)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000366551045 465796188 /nfs/dbraw/zinc/79/61/88/465796188.db2.gz ZOMPTDQBOKNKPW-MRXNPFEDSA-N 0 0 335.360 2.321 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N[C@@](C)(CO)COC)ccc21 ZINC000681074631 486130888 /nfs/dbraw/zinc/13/08/88/486130888.db2.gz SVWNBCGMSDYOKI-IBGZPJMESA-N 0 0 348.443 2.032 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)C1(C(F)(F)F)CC1 ZINC000726161751 576242056 /nfs/dbraw/zinc/24/20/56/576242056.db2.gz BZGFNLPLJCLDPF-UHFFFAOYSA-N 0 0 328.334 2.482 10 10 EECERN COc1ccc(N2CCC(NC(=S)NC[C@@H]3CCCO3)CC2)cc1 ZINC000726494226 576269567 /nfs/dbraw/zinc/26/95/67/576269567.db2.gz QLCZQEFJRAAWCU-KRWDZBQOSA-N 0 0 349.500 2.307 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(OC)n2)c1 ZINC000729049047 576592666 /nfs/dbraw/zinc/59/26/66/576592666.db2.gz KXUSSYLHYJPSEW-NSHDSACASA-N 0 0 331.372 2.365 10 10 EECERN COc1c(O)c([C@H]2NC(=O)c3ccc(F)cc3N2)ccc1[N+](=O)[O-] ZINC000772175946 577255954 /nfs/dbraw/zinc/25/59/54/577255954.db2.gz HEYFXZSTAYZKDG-CQSZACIVSA-N 0 0 333.275 2.302 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1ccnc2[nH]cnc21 ZINC000765751164 577506564 /nfs/dbraw/zinc/50/65/64/577506564.db2.gz QJLLUAJRXOXVKZ-UHFFFAOYSA-N 0 0 347.172 2.356 10 10 EECERN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000769863076 577586011 /nfs/dbraw/zinc/58/60/11/577586011.db2.gz PQERMKLQDMBKHC-UHFFFAOYSA-N 0 0 339.344 2.427 10 10 EECERN CN(C)c1ccc(CNC(=O)NCc2noc(C3CC3)n2)cc1F ZINC000763548515 577722525 /nfs/dbraw/zinc/72/25/25/577722525.db2.gz MBYGLCJAOAQZJL-UHFFFAOYSA-N 0 0 333.367 2.152 10 10 EECERN COc1c[nH+]ccc1N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894634519 683006362 /nfs/dbraw/zinc/00/63/62/683006362.db2.gz HLLDJYWGISESEJ-UHFFFAOYSA-N 0 0 335.354 2.396 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCC[C@]12CCCO2 ZINC000925096424 683359274 /nfs/dbraw/zinc/35/92/74/683359274.db2.gz GDOZTISPGMBPJS-QAPCUYQASA-N 0 0 330.384 2.258 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCC2(CCOCC2)CO1 ZINC000914388901 683541889 /nfs/dbraw/zinc/54/18/89/683541889.db2.gz IMKVNDACXKUYCK-NSRYLSIASA-N 0 0 347.411 2.203 10 10 EECERN C[C@@H](CN1CCCC1=O)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895803201 684731317 /nfs/dbraw/zinc/73/13/17/684731317.db2.gz VMIFDKGJWOPRHG-VIFPVBQESA-N 0 0 334.397 2.053 10 10 EECERN COC(=O)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000198258836 686041748 /nfs/dbraw/zinc/04/17/48/686041748.db2.gz NRGZHRNXGXMZQI-SYJIQKIWSA-N 0 0 327.336 2.142 10 10 EECERN CC[N@H+](Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCNC1=O ZINC000799738031 689475703 /nfs/dbraw/zinc/47/57/03/689475703.db2.gz RFTBJPOVGYCQDF-GFCCVEGCSA-N 0 0 327.222 2.174 10 10 EECERN C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[S@@]1=O ZINC000897566663 691626473 /nfs/dbraw/zinc/62/64/73/691626473.db2.gz VJVLNBXWNJSTSY-AUADJRAKSA-N 0 0 339.438 2.296 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1OCCO ZINC001625797998 1176120192 /nfs/dbraw/zinc/12/01/92/1176120192.db2.gz QMMPAKRHWFVVEW-UHFFFAOYSA-N 0 0 343.427 2.181 10 10 EECERN CCC(=O)NCC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001687320398 1177303688 /nfs/dbraw/zinc/30/36/88/1177303688.db2.gz JAQODLQCXABBTA-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN O=C1/C(=C/c2cn(C[C@@H]3CCOC3)nn2)c2cccc3c2N1CCC3 ZINC000865225761 1198131001 /nfs/dbraw/zinc/13/10/01/1198131001.db2.gz IZTKFWICRBWBDA-YRUBURHZSA-N 0 0 336.395 2.148 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=S)NCc3cc(C)on3)C2)cc1 ZINC000865240932 1198136058 /nfs/dbraw/zinc/13/60/58/1198136058.db2.gz QSBLSOZLECWCBT-CYBMUJFWSA-N 0 0 346.456 2.235 10 10 EECERN COCC1(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000825754032 1199091049 /nfs/dbraw/zinc/09/10/49/1199091049.db2.gz UZMKNODTPBADHW-UHFFFAOYSA-N 0 0 347.459 2.139 10 10 EECERN C[C@H]([NH2+]C1COCCOC1)c1cc(Br)cc(F)c1[O-] ZINC000813879524 1199202704 /nfs/dbraw/zinc/20/27/04/1199202704.db2.gz MVJSVUIWWDWBEQ-QMMMGPOBSA-N 0 0 334.185 2.360 10 10 EECERN Cc1cc(O)c(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1Cl ZINC000825882266 1199661280 /nfs/dbraw/zinc/66/12/80/1199661280.db2.gz HJTNAFZMEMRKHN-ZDUSSCGKSA-N 0 0 346.880 2.210 10 10 EECERN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000866769350 1201601811 /nfs/dbraw/zinc/60/18/11/1201601811.db2.gz KEQCRFASBHZUCC-MRXNPFEDSA-N 0 0 341.363 2.447 10 10 EECERN CO[C@@H](CS(=O)(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000867691417 1201659973 /nfs/dbraw/zinc/65/99/73/1201659973.db2.gz WBDFRULCZDPSMS-KRWDZBQOSA-N 0 0 333.409 2.425 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccnc(F)c1 ZINC000868130952 1201749803 /nfs/dbraw/zinc/74/98/03/1201749803.db2.gz WUFKJFQYJVTLLU-UHFFFAOYSA-N 0 0 344.390 2.057 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000868902276 1201902273 /nfs/dbraw/zinc/90/22/73/1201902273.db2.gz CAFGDQRJAFUTEI-GCDKYVQMSA-N 0 0 329.444 2.284 10 10 EECERN CCO[C@]12CCC[C@@]1(NC(=O)/C=C\c1ccc(O)c(O)c1)CCO2 ZINC000889803106 1204715765 /nfs/dbraw/zinc/71/57/65/1204715765.db2.gz DXEDDWWOWIIGEX-CORAPOBDSA-N 0 0 333.384 2.303 10 10 EECERN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)NCc3c(O)cccc3F)O2)CO1 ZINC000924051758 1205932184 /nfs/dbraw/zinc/93/21/84/1205932184.db2.gz MLKOOMDBXTXRNO-PSTGCABASA-N 0 0 338.379 2.057 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000927567464 1206277372 /nfs/dbraw/zinc/27/73/72/1206277372.db2.gz BNJJRBPSSJDLMH-XUPHAZDTSA-N 0 0 331.290 2.337 10 10 EECERN C[C@H](NC(=O)NCc1nc2c(s1)COCC2)c1ccccc1O ZINC000927694937 1206291888 /nfs/dbraw/zinc/29/18/88/1206291888.db2.gz FNCAWZUPBVWMQB-JTQLQIEISA-N 0 0 333.413 2.482 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1CCCN1Cc1ccccn1 ZINC000928706561 1206413390 /nfs/dbraw/zinc/41/33/90/1206413390.db2.gz XGVFIKBZGIRLBQ-MRXNPFEDSA-N 0 0 329.375 2.207 10 10 EECERN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1c(O)cccc1F ZINC000928709219 1206413717 /nfs/dbraw/zinc/41/37/17/1206413717.db2.gz YXCLUVRLKXZMTB-LBPRGKRZSA-N 0 0 345.436 2.389 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN(C3CC3)C2=O)cc1 ZINC000929527440 1206483662 /nfs/dbraw/zinc/48/36/62/1206483662.db2.gz PALDKCOPBHVYLJ-QGZVFWFLSA-N 0 0 329.444 2.112 10 10 EECERN Cc1oc(C=O)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000930522782 1206564595 /nfs/dbraw/zinc/56/45/95/1206564595.db2.gz JBRDOMQATCWLTO-UHFFFAOYSA-N 0 0 328.368 2.167 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)C(=O)NCCF)c1 ZINC000800292716 1234019339 /nfs/dbraw/zinc/01/93/39/1234019339.db2.gz UGMXMEQQVGIBTF-VIFPVBQESA-N 0 0 333.201 2.027 10 10 EECERN CN1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1=O ZINC000827358791 1247948759 /nfs/dbraw/zinc/94/87/59/1247948759.db2.gz FPBPGIGJMNTNPY-UHFFFAOYSA-N 0 0 346.431 2.249 10 10 EECERN CC(C)Oc1ccc([C@@H](O)CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001137360276 1250681181 /nfs/dbraw/zinc/68/11/81/1250681181.db2.gz WMBBVLWSKWZXRN-SFHVURJKSA-N 0 0 345.395 2.277 10 10 EECERN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)NCCc2ccc(N)cc2)cn1 ZINC000851663119 1277707258 /nfs/dbraw/zinc/70/72/58/1277707258.db2.gz TWTFLULHKZVBQP-WMZOPIPTSA-N 0 0 341.459 2.255 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CSC[C@@H]3C)C2)cc1 ZINC000852326865 1292093832 /nfs/dbraw/zinc/09/38/32/1292093832.db2.gz SBQUZVMCBNIGIB-XEZPLFJOSA-N 0 0 335.473 2.325 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)NCCO[C@@H]2CC2(F)F)cc1 ZINC000852530086 1292127518 /nfs/dbraw/zinc/12/75/18/1292127518.db2.gz SQTYAKBFLJBCDJ-CQSZACIVSA-N 0 0 327.375 2.318 10 10 EECERN Nc1ccc(Cc2nc(C(=O)N3CC[C@H]4COC[C@@H]4C3)cs2)cc1 ZINC000852864808 1292219285 /nfs/dbraw/zinc/21/92/85/1292219285.db2.gz IPLKOAJFGLFGPJ-KBPBESRZSA-N 0 0 343.452 2.425 10 10 EECERN O=C(NCCCSc1nccs1)NCC1CCC(O)CC1 ZINC000853858509 1292492564 /nfs/dbraw/zinc/49/25/64/1292492564.db2.gz NGHRRFAHGUQARU-UHFFFAOYSA-N 0 0 329.491 2.476 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000853858534 1292493057 /nfs/dbraw/zinc/49/30/57/1292493057.db2.gz OCJWYFUYZVJDNN-DLAIMTSXSA-N 0 0 332.356 2.254 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000854027098 1292586568 /nfs/dbraw/zinc/58/65/68/1292586568.db2.gz FFVGXCRQHOTMLM-PIIMJCKOSA-N 0 0 329.444 2.245 10 10 EECERN CCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCCOC1 ZINC000854296339 1292708255 /nfs/dbraw/zinc/70/82/55/1292708255.db2.gz IJIJJRCGHCXHHH-DOTOQJQBSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H](CO)C3)C2)cc1 ZINC000854296658 1292708295 /nfs/dbraw/zinc/70/82/95/1292708295.db2.gz FQEBLIWPZJFSBK-OAGGEKHMSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H]3CCC[C@@H]3O)C2)cc1 ZINC000854299819 1292711600 /nfs/dbraw/zinc/71/16/00/1292711600.db2.gz RUNSQPDEDCWTCH-VKJFTORMSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCCO[C@@H](C)C3)C2)cc1 ZINC000854300794 1292712236 /nfs/dbraw/zinc/71/22/36/1292712236.db2.gz AJCAALMQYLGPDG-LSDHHAIUSA-N 0 0 333.432 2.094 10 10 EECERN COC[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854300999 1292712408 /nfs/dbraw/zinc/71/24/08/1292712408.db2.gz GAEJGNDSVVPVJH-HOTGVXAUSA-N 0 0 347.459 2.342 10 10 EECERN CCCCN(CCO)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302816 1292713759 /nfs/dbraw/zinc/71/37/59/1292713759.db2.gz PDTXOBRXTIKEAK-OAHLLOKOSA-N 0 0 335.448 2.078 10 10 EECERN CCOC(=O)C(C)(C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855225300 1293117462 /nfs/dbraw/zinc/11/74/62/1293117462.db2.gz JNRGWDVMKVFTBW-CQSZACIVSA-N 0 0 348.443 2.370 10 10 EECERN COCc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000855230191 1293121269 /nfs/dbraw/zinc/12/12/69/1293121269.db2.gz UMAPDWAUVBPPBF-CYBMUJFWSA-N 0 0 330.384 2.443 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(C)cc(C)[nH]c3=O)C2)cc1 ZINC000855231425 1293121794 /nfs/dbraw/zinc/12/17/94/1293121794.db2.gz MHWXVDCFBVUDPJ-AWEZNQCLSA-N 0 0 341.411 2.421 10 10 EECERN CC1(C)C[C@@H](S(=O)(=O)NCc2ccc(N3CCCC3)cc2)CO1 ZINC000858899785 1294255670 /nfs/dbraw/zinc/25/56/70/1294255670.db2.gz DYRHWKQMUSMZDT-MRXNPFEDSA-N 0 0 338.473 2.274 10 10 EECERN COc1cccc(CNC(=O)C2(c3cc(C)no3)CCOCC2)c1O ZINC000860240282 1294888659 /nfs/dbraw/zinc/88/86/59/1294888659.db2.gz FMLGFZOHXAFIRA-UHFFFAOYSA-N 0 0 346.383 2.062 10 10 EECERN Cc1cc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c(C)n1-c1ccccc1C ZINC000862820360 1295974360 /nfs/dbraw/zinc/97/43/60/1295974360.db2.gz DCCQSRHZKREUFV-SHTZXODSSA-N 0 0 325.412 2.396 10 10 EECERN Cc1cc(CNC(=O)CCc2cnn(C)n2)c(C)n1-c1ccccc1 ZINC000863163956 1296134564 /nfs/dbraw/zinc/13/45/64/1296134564.db2.gz UYHOQUDQYZQMHR-UHFFFAOYSA-N 0 0 337.427 2.472 10 10 EECERN O=S(=O)(NCc1ccccc1O)c1ccccc1Cn1ccnc1 ZINC000799774349 1305421227 /nfs/dbraw/zinc/42/12/27/1305421227.db2.gz VQVSDLSWWYBLHQ-UHFFFAOYSA-N 0 0 343.408 2.116 10 10 EECERN CO[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC001116749634 1305914686 /nfs/dbraw/zinc/91/46/86/1305914686.db2.gz NGNZOLDQOULARI-UWWQBHOKSA-N 0 0 347.459 2.451 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000841571526 1315580497 /nfs/dbraw/zinc/58/04/97/1315580497.db2.gz YSHRRGKWAOROJR-GRDNDAEWSA-N 0 0 340.489 2.089 10 10 EECERN O=C(CN1Cc2ccccc2C1=O)NCc1ccc2cccnc2c1O ZINC001142727626 1315718066 /nfs/dbraw/zinc/71/80/66/1315718066.db2.gz BPQILGSOUVZZAK-UHFFFAOYSA-N 0 0 347.374 2.213 10 10 EECERN CO[C@@H](CS(=O)(=O)Nc1ccc(O)c(COC(C)C)c1)C1CC1 ZINC000842586319 1315726455 /nfs/dbraw/zinc/72/64/55/1315726455.db2.gz QDMRKZBSZLMXFY-INIZCTEOSA-N 0 0 343.445 2.484 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccnc2[nH]c(CC3CC3)nc21 ZINC001153888222 1316908808 /nfs/dbraw/zinc/90/88/08/1316908808.db2.gz BCQJANQFSNBNMP-UHFFFAOYSA-N 0 0 338.367 2.252 10 10 EECERN CC[C@@](NC(=O)c1cc2cc(O)c(O)cc2s1)(C(N)=O)C(C)C ZINC001153989132 1316931026 /nfs/dbraw/zinc/93/10/26/1316931026.db2.gz NAHWNTIEGQFILV-INIZCTEOSA-N 0 0 336.413 2.332 10 10 EECERN COc1ccc(CNC(=O)c2cc(-n3ccnc3)ccc2O)c(O)c1 ZINC001155575328 1317657602 /nfs/dbraw/zinc/65/76/02/1317657602.db2.gz UJLYJELEUFOLAZ-UHFFFAOYSA-N 0 0 339.351 2.222 10 10 EECERN Cc1ccnc(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)n1 ZINC001157138481 1318431220 /nfs/dbraw/zinc/43/12/20/1318431220.db2.gz AYCZPMRLYBOLPA-UHFFFAOYSA-N 0 0 327.384 2.145 10 10 EECERN C[C@H]1C[C@@H]1C(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001293930456 1328842284 /nfs/dbraw/zinc/84/22/84/1328842284.db2.gz SBUWGDONKLEROL-FZMZJTMJSA-N 0 0 345.403 2.083 10 10 EECERN Nc1c(C(=O)NCc2ccc3cccnc3c2O)cccc1[N+](=O)[O-] ZINC001162607385 1320910465 /nfs/dbraw/zinc/91/04/65/1320910465.db2.gz PEIAJJXMNCFDOP-UHFFFAOYSA-N 0 0 338.323 2.361 10 10 EECERN Cc1cc(C(=O)N2[C@H](CO)CC[C@H]2CO)c(C)n1-c1ccccc1C ZINC001163512168 1321145725 /nfs/dbraw/zinc/14/57/25/1321145725.db2.gz NNEYQTVPVFIKDL-IRXDYDNUSA-N 0 0 342.439 2.360 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(OC)nc2)c1 ZINC001261790854 1322176928 /nfs/dbraw/zinc/17/69/28/1322176928.db2.gz XCCNHTVGOPMPJT-LBPRGKRZSA-N 0 0 330.384 2.476 10 10 EECERN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC001264286923 1322669496 /nfs/dbraw/zinc/66/94/96/1322669496.db2.gz CWIIOZQBBQQHQG-SJLPKXTDSA-N 0 0 332.444 2.297 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1cnn(Cc2ccccc2)c1N ZINC001294673765 1329117627 /nfs/dbraw/zinc/11/76/27/1329117627.db2.gz SNRMQVIIKSVTBG-UHFFFAOYSA-N 0 0 336.395 2.491 10 10 EECERN C[C@H](CNC(=O)[C@@H]1CC1(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285660721 1327097794 /nfs/dbraw/zinc/09/77/94/1327097794.db2.gz WNNKPHACSBYEAU-MFKMUULPSA-N 0 0 345.403 2.130 10 10 EECERN Cc1nnc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001298822727 1330125305 /nfs/dbraw/zinc/12/53/05/1330125305.db2.gz NEIILNTWZAGYKF-UHFFFAOYSA-N 0 0 335.410 2.445 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@](C)(O)c1ccco1 ZINC001304794414 1331398093 /nfs/dbraw/zinc/39/80/93/1331398093.db2.gz JHLTZSOZUQKDRD-SFHVURJKSA-N 0 0 342.399 2.429 10 10 EECERN CCOc1ccc(N2CCN(C(=O)C3CCN(OC)CC3)CC2)cc1 ZINC001329763532 1334709737 /nfs/dbraw/zinc/70/97/37/1334709737.db2.gz VSUUDYPFBSJLOS-UHFFFAOYSA-N 0 0 347.459 2.007 10 10 EECERN COc1ccccc1[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001329782911 1334713967 /nfs/dbraw/zinc/71/39/67/1334713967.db2.gz TWYVALBCWHOWTI-CYBMUJFWSA-N 0 0 342.395 2.237 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC(C)(C)F ZINC001335543468 1336392602 /nfs/dbraw/zinc/39/26/02/1336392602.db2.gz WZBAGUJPBZRSQX-UHFFFAOYSA-N 0 0 349.450 2.500 10 10 EECERN CN(C)c1ccc(/C=C\C[NH2+][C@@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1 ZINC001350652231 1337732423 /nfs/dbraw/zinc/73/24/23/1337732423.db2.gz HHLXQQQEVMOQIQ-QGZUEGPWSA-N 0 0 348.834 2.359 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cc(-c3ccncc3)nn2C)cc1 ZINC001355878876 1338762738 /nfs/dbraw/zinc/76/27/38/1338762738.db2.gz MOVXPDNZANQDIS-UHFFFAOYSA-N 0 0 335.411 2.478 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)C3CCOCC3)C2)cc1 ZINC000849416804 1339156251 /nfs/dbraw/zinc/15/62/51/1339156251.db2.gz WYTVAHPZWIOPGF-CQSZACIVSA-N 0 0 333.432 2.094 10 10 EECERN CC(=O)N1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccc21 ZINC001545816374 1339376039 /nfs/dbraw/zinc/37/60/39/1339376039.db2.gz IJFUNHYZYVZAIS-OAHLLOKOSA-N 0 0 340.379 2.254 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001556157694 1342423160 /nfs/dbraw/zinc/42/31/60/1342423160.db2.gz HXJGZJYBVAABSF-BMIGLBTASA-N 0 0 331.372 2.033 10 10 EECERN O=C(NCc1ncn(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 ZINC001564830260 1342550860 /nfs/dbraw/zinc/55/08/60/1342550860.db2.gz LUPHAXGBVQUFIY-UHFFFAOYSA-N 0 0 335.367 2.198 10 10 EECERN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001567015507 1342678819 /nfs/dbraw/zinc/67/88/19/1342678819.db2.gz VWLODMTVMXCNDV-LLVKDONJSA-N 0 0 338.404 2.060 10 10 EECERN COc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(N)c1F ZINC001567467628 1342764938 /nfs/dbraw/zinc/76/49/38/1342764938.db2.gz NOIUKJOYBCFTID-SECBINFHSA-N 0 0 334.347 2.189 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(N)ncnc2c1 ZINC001586831771 1348854818 /nfs/dbraw/zinc/85/48/18/1348854818.db2.gz CNZGPHPGPFORAB-UHFFFAOYSA-N 0 0 349.394 2.317 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001623550194 1352399671 /nfs/dbraw/zinc/39/96/71/1352399671.db2.gz UAOZJOHSXMYBKC-UHFFFAOYSA-N 0 0 329.360 2.190 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(F)ccc1N ZINC001627013619 1352480425 /nfs/dbraw/zinc/48/04/25/1352480425.db2.gz HNLHQRHQBLFVIR-UHFFFAOYSA-N 0 0 346.358 2.319 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2cc3n(n2)CCCC3)cc1 ZINC001631546217 1352585838 /nfs/dbraw/zinc/58/58/38/1352585838.db2.gz NSOATIABLAUVEH-UHFFFAOYSA-N 0 0 326.360 2.312 10 10 EECERN O=C(NCc1ccc(Cn2cncn2)cc1)N1Cc2cccc(O)c2C1 ZINC001635762766 1352651422 /nfs/dbraw/zinc/65/14/22/1352651422.db2.gz KMHXUOUYHGABIZ-UHFFFAOYSA-N 0 0 349.394 2.257 10 10 EECERN O=C(NCc1ccc2c(=O)cc[nH]c2c1)NCc1c(O)cccc1F ZINC001635975372 1352656152 /nfs/dbraw/zinc/65/61/52/1352656152.db2.gz JOKRKJLZHRURDK-UHFFFAOYSA-N 0 0 341.342 2.372 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)NCc1nc2c(cccc2F)[nH]1 ZINC001636598899 1352667252 /nfs/dbraw/zinc/66/72/52/1352667252.db2.gz BRFWYTQXSHZKCN-FNORWQNLSA-N 0 0 327.315 2.443 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nn1ccc(=O)[nH]c1=O ZINC001642616363 1352735311 /nfs/dbraw/zinc/73/53/11/1352735311.db2.gz HQOFHLAGKLSURI-UHFFFAOYSA-N 0 0 338.367 2.049 10 10 EECERN C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C(=O)N1c1ccccc1 ZINC001654369866 1354147819 /nfs/dbraw/zinc/14/78/19/1354147819.db2.gz NDJMMSOUASEJAE-MFKMUULPSA-N 0 0 344.342 2.161 10 10 EECERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ncnn1C ZINC001686378589 1358387503 /nfs/dbraw/zinc/38/75/03/1358387503.db2.gz IRMRKXNSURMHNE-CQSZACIVSA-N 0 0 342.447 2.318 10 10 EECERN CC(C)c1nnc2n1CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]2C ZINC000588552742 760758778 /nfs/dbraw/zinc/75/87/78/760758778.db2.gz QVYDVRCNFAPYDP-SMYYYNMVSA-N 0 0 342.399 2.429 10 10 EECERN COc1ccc(O)c(CNC(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000918745431 769365142 /nfs/dbraw/zinc/36/51/42/769365142.db2.gz KNHRKZQQCUAQSU-AAEUAGOBSA-N 0 0 348.321 2.310 10 10 EECERN COc1ccc(O)c(CNC(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000918745433 769365953 /nfs/dbraw/zinc/36/59/53/769365953.db2.gz KNHRKZQQCUAQSU-WCQYABFASA-N 0 0 348.321 2.310 10 10 EECERN O=S(=O)(c1ccnn1CC1CCC1)N1Cc2cccc(O)c2C1 ZINC000918880250 769451669 /nfs/dbraw/zinc/45/16/69/769451669.db2.gz CTOHWOCOXUBIFT-UHFFFAOYSA-N 0 0 333.413 2.093 10 10 EECERN O=C(NCCCSc1nccs1)[C@H]1CC(c2ccccn2)=NO1 ZINC000906669935 784067670 /nfs/dbraw/zinc/06/76/70/784067670.db2.gz HMFZAHNXFTXBHS-CYBMUJFWSA-N 0 0 348.453 2.330 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(C(C)(C)C)C1=O ZINC000907272701 784489770 /nfs/dbraw/zinc/48/97/70/784489770.db2.gz HUNQQENJNWNYGF-JSGCOSHPSA-N 0 0 348.443 2.182 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2 ZINC000817195520 784575040 /nfs/dbraw/zinc/57/50/40/784575040.db2.gz YFAZLGYRVROMHO-UHFFFAOYSA-N 0 0 344.342 2.123 10 10 EECERN C/C=C/[C@@H](O)C(=O)Nc1ccc(N2CCC(O)CC2)cc1OCCC ZINC000907762626 784845939 /nfs/dbraw/zinc/84/59/39/784845939.db2.gz DRRSBGJLEQQVLH-NJELEJDNSA-N 0 0 348.443 2.312 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCOC[C@H]3C)C2)cc1 ZINC000819588123 785596934 /nfs/dbraw/zinc/59/69/34/785596934.db2.gz JNSGZZACMQJJCR-RKVPGOIHSA-N 0 0 332.444 2.310 10 10 EECERN O=C1[C@H]([NH2+]Cc2cccc(Br)c2[O-])CCN1C1CCC1 ZINC000708660625 786837276 /nfs/dbraw/zinc/83/72/76/786837276.db2.gz BRLJVYLWBHQKQP-CYBMUJFWSA-N 0 0 339.233 2.398 10 10 EECERN O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc(O)cc1O ZINC000910951990 787132223 /nfs/dbraw/zinc/13/22/23/787132223.db2.gz NUCWTRXKJYPFGK-UHFFFAOYSA-N 0 0 329.352 2.118 10 10 EECERN CCOC(=O)CN(CC(=O)NC(C)(C)CC)Cc1ccccc1O ZINC000823581412 787807484 /nfs/dbraw/zinc/80/74/84/787807484.db2.gz JMBTXAIOELNHFG-UHFFFAOYSA-N 0 0 336.432 2.062 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000824211116 788085564 /nfs/dbraw/zinc/08/55/64/788085564.db2.gz PNZDYKYISHVKDU-BCDXTJNWSA-N 0 0 343.471 2.493 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(n1)OCCO2 ZINC000825013449 788395191 /nfs/dbraw/zinc/39/51/91/788395191.db2.gz RGBFTJMXWYPYMB-JTQLQIEISA-N 0 0 345.355 2.017 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cn3c(n2)CCC3)cc1 ZINC000844855845 789403315 /nfs/dbraw/zinc/40/33/15/789403315.db2.gz BIEUSWDQNPNFNF-UHFFFAOYSA-N 0 0 328.416 2.046 10 10 EECERN COC(=O)[C@@H]1CC[C@H](C(=O)N(C)CCN(C)c2ccc(OC)cc2)C1 ZINC000844857534 789403338 /nfs/dbraw/zinc/40/33/38/789403338.db2.gz ZIDXFGVNFXKQRL-LSDHHAIUSA-N 0 0 348.443 2.179 10 10 EECERN COc1ccc(CNC(=O)N[C@@H](C2CC2)C2CCOCC2)c(O)c1 ZINC000845431757 789773320 /nfs/dbraw/zinc/77/33/20/789773320.db2.gz VNHWIOLBFXITBO-KRWDZBQOSA-N 0 0 334.416 2.405 10 10 EECERN Cc1cc(C(=O)CN(C)S(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000171988900 791514463 /nfs/dbraw/zinc/51/44/63/791514463.db2.gz JCGGXQZYHZQSQD-UHFFFAOYSA-N 0 0 334.441 2.477 10 10 EECERN CCc1nc([C@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)no1 ZINC001147275757 791778548 /nfs/dbraw/zinc/77/85/48/791778548.db2.gz CCRLSPVAGVPEQY-GFCCVEGCSA-N 0 0 331.372 2.340 10 10 EECERN Cc1nc([C@H]2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)C2)no1 ZINC000915372936 795948661 /nfs/dbraw/zinc/94/86/61/795948661.db2.gz WCILXXFFIKWEGS-ZDUSSCGKSA-N 0 0 347.394 2.282 10 10 EECERN Cc1cc(CCNC(=O)NCc2ccc3c(c2)CCCN3C)nn1C ZINC000915390753 795961560 /nfs/dbraw/zinc/96/15/60/795961560.db2.gz OTBLZCYOFJJKKG-UHFFFAOYSA-N 0 0 341.459 2.153 10 10 EECERN CCCS(=O)(=O)c1ccccc1C(=O)NCc1cccc(O)c1O ZINC001176564693 798498213 /nfs/dbraw/zinc/49/82/13/798498213.db2.gz CYUIILQDKCZYBJ-UHFFFAOYSA-N 0 0 349.408 2.212 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC001176755728 798570863 /nfs/dbraw/zinc/57/08/63/798570863.db2.gz UHWSKYAXFXOXMD-MRXNPFEDSA-N 0 0 340.379 2.019 10 10 EECERN C[C@H](NC(=O)NCc1noc2c1COCC2)c1ccc(N(C)C)cc1 ZINC000922055658 798772196 /nfs/dbraw/zinc/77/21/96/798772196.db2.gz RUMSMZXMMXWGFE-LBPRGKRZSA-N 0 0 344.415 2.374 10 10 EECERN COc1cccc(CNS(=O)(=O)c2ccc(F)c(OC)c2)c1O ZINC000786851769 806919828 /nfs/dbraw/zinc/91/98/28/806919828.db2.gz QSCDUIFYGCXIBG-UHFFFAOYSA-N 0 0 341.360 2.027 10 10 EECERN COc1ccc(N2CCC(NC(=O)N(C)CCCCO)CC2)cc1 ZINC000788314212 807488603 /nfs/dbraw/zinc/48/86/03/807488603.db2.gz SGXSWECYVAREPD-UHFFFAOYSA-N 0 0 335.448 2.078 10 10 EECERN O=C(NCc1ccccc1O)Nc1ccc2c(c1F)CCNC2=O ZINC000794368935 810796092 /nfs/dbraw/zinc/79/60/92/810796092.db2.gz MXCLCYFXORGYCX-UHFFFAOYSA-N 0 0 329.331 2.139 10 10 EECERN COc1ccc(CNC(=O)c2ccc(-c3ncon3)cc2)c(O)c1 ZINC000794377082 810803360 /nfs/dbraw/zinc/80/33/60/810803360.db2.gz MAOVWIOFUHQADN-UHFFFAOYSA-N 0 0 325.324 2.381 10 10 EECERN C[C@@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000805864422 811591277 /nfs/dbraw/zinc/59/12/77/811591277.db2.gz VBGKAYMQBUBNEF-WBMJQRKESA-N 0 0 335.423 2.385 10 10 EECERN C[C@H](NC(=O)NC[C@@H](CO)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000807139986 812111901 /nfs/dbraw/zinc/11/19/01/812111901.db2.gz ISWKJOJTDYVTDU-YOEHRIQHSA-N 0 0 342.443 2.284 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(OCc2csc(C)n2)c1 ZINC000808498403 812667163 /nfs/dbraw/zinc/66/71/63/812667163.db2.gz RKCBEYSZYHTPLX-UHFFFAOYSA-N 0 0 333.365 2.345 10 10 EECERN CC(=O)C(=O)COC(=O)c1cnc(C)c(Cl)c1Br ZINC000808533474 812704237 /nfs/dbraw/zinc/70/42/37/812704237.db2.gz NNSOCBXNJACTHJ-UHFFFAOYSA-N 0 0 334.553 2.121 10 10 EECERN CCCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1cccc(C)c1 ZINC000808543165 812711794 /nfs/dbraw/zinc/71/17/94/812711794.db2.gz PNUQWCNSDKUVML-UHFFFAOYSA-N 0 0 328.368 2.448 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCOC[C@H]1C ZINC000809389177 813121761 /nfs/dbraw/zinc/12/17/61/813121761.db2.gz UPABKEGSEJUQMM-PBHICJAKSA-N 0 0 340.489 2.329 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001566008610 1125498699 /nfs/dbraw/zinc/49/86/99/1125498699.db2.gz WNVKOKOBFJUPJT-UHFFFAOYSA-N 0 0 342.355 2.282 10 10 EECERN O=C(C[C@@H]1C(=O)Nc2c1cccc2F)N1Cc2cccc(O)c2C1 ZINC001455036828 1108130014 /nfs/dbraw/zinc/13/00/14/1108130014.db2.gz JWNMXSIDUWLDIB-LBPRGKRZSA-N 0 0 326.327 2.500 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001455357039 1108474818 /nfs/dbraw/zinc/47/48/18/1108474818.db2.gz MWHKZJNCSICZTH-HUUCEWRRSA-N 0 0 341.363 2.289 10 10 EECERN Cc1ccn2c(c1)ncc(C(=O)NCc1cccc(Cl)c1O)c2=O ZINC001457036420 1109424101 /nfs/dbraw/zinc/42/41/01/1109424101.db2.gz HLRSPGOZYVGIRE-UHFFFAOYSA-N 0 0 343.770 2.292 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC(OCC(C)C)C3)C2)cc1 ZINC001470771277 1110512301 /nfs/dbraw/zinc/51/23/01/1110512301.db2.gz CBBBUJGCXPCZCB-OAHLLOKOSA-N 0 0 347.459 2.340 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC001471975740 1110537133 /nfs/dbraw/zinc/53/71/33/1110537133.db2.gz FVGIANHCLNZOPQ-LRDDRELGSA-N 0 0 329.327 2.452 10 10 EECERN Cn1nc(CCNC(=O)c2c(F)ccc(O)c2O)c2ccccc21 ZINC001472550008 1110558962 /nfs/dbraw/zinc/55/89/62/1110558962.db2.gz YONSXUKLVHQZQN-UHFFFAOYSA-N 0 0 329.331 2.096 10 10 EECERN COC(=O)c1cnc(CNC(=O)N[C@H](C)c2ccccc2O)s1 ZINC001479337202 1110682685 /nfs/dbraw/zinc/68/26/85/1110682685.db2.gz ZYEHKDOVSINPLO-SECBINFHSA-N 0 0 335.385 2.196 10 10 EECERN CC[C@@H](C)C(=O)NCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001505953730 1114297990 /nfs/dbraw/zinc/29/79/90/1114297990.db2.gz ALKUOIKNKZYASD-LLVKDONJSA-N 0 0 345.403 2.274 10 10 EECERN C/C=C(/C)C(=O)N[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001510625561 1117819903 /nfs/dbraw/zinc/81/99/03/1117819903.db2.gz SMKQESIUHMMRKA-ASBHMNMASA-N 0 0 345.403 2.392 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(-c2ccncc2)c1 ZINC001523541339 1119809229 /nfs/dbraw/zinc/80/92/29/1119809229.db2.gz BOVGUPCCKIKEPS-UHFFFAOYSA-N 0 0 349.394 2.373 10 10 EECERN C[C@@H](CNC(=O)C1CC(C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001526490431 1120528716 /nfs/dbraw/zinc/52/87/16/1120528716.db2.gz LDEYVRUQZJVBDX-AKJDGMEZSA-N 0 0 345.403 2.130 10 10 EECERN Cc1ccc(C(=O)N2CCc3nc(N(C)C)sc3C2)c(O)c1O ZINC001528789971 1121172828 /nfs/dbraw/zinc/17/28/28/1121172828.db2.gz IPLQQVYEWGGULI-UHFFFAOYSA-N 0 0 333.413 2.127 10 10 EECERN Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001540771649 1124093181 /nfs/dbraw/zinc/09/31/81/1124093181.db2.gz SRECPXDTCWNIJX-CYBMUJFWSA-N 0 0 326.360 2.390 10 10 EECERN COc1ccc(CNC(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)c(O)c1 ZINC001568100393 1124302954 /nfs/dbraw/zinc/30/29/54/1124302954.db2.gz UAOPDAAJJCQIIM-AWEZNQCLSA-N 0 0 344.342 2.282 10 10 EECERN COC(=O)c1ccc(N=Cc2c(=O)n(C)[n-]c2C(F)(F)F)cc1 ZINC000100281591 219096104 /nfs/dbraw/zinc/09/61/04/219096104.db2.gz JYOOZSVPDZQXAS-JXMROGBWSA-N 0 0 327.262 2.159 10 10 EECERN O=C(NC1CCC(O)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000042962252 213546599 /nfs/dbraw/zinc/54/65/99/213546599.db2.gz NQBFLLPCSPJIFD-JCYILVPMSA-N 0 0 348.443 2.386 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000155679049 462927941 /nfs/dbraw/zinc/92/79/41/462927941.db2.gz YBDZAQBRWFEIGG-JWTNVVGKSA-N 0 0 327.428 2.260 10 10 EECERN CCN(CC)C(=O)CN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000029070614 463240571 /nfs/dbraw/zinc/24/05/71/463240571.db2.gz WLTHAHXHPNCVPS-CSKARUKUSA-N 0 0 349.387 2.086 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCc3cc[nH]c(=O)c3C2)cc1OC ZINC000276920576 463806098 /nfs/dbraw/zinc/80/60/98/463806098.db2.gz OZPDUSNCUPKBAB-UHFFFAOYSA-N 0 0 331.328 2.275 10 10 EECERN C[C@@H]1COCC[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277207173 463906322 /nfs/dbraw/zinc/90/63/22/463906322.db2.gz JYVNPQGCXDQEJC-MFKMUULPSA-N 0 0 338.791 2.235 10 10 EECERN CC(=O)NC1CCC([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000263687349 464154391 /nfs/dbraw/zinc/15/43/91/464154391.db2.gz ODFNFPKNPGRNNN-UHFFFAOYSA-N 0 0 341.795 2.491 10 10 EECERN CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000280225376 464194645 /nfs/dbraw/zinc/19/46/45/464194645.db2.gz LQUHGMDETFXEHV-LBPRGKRZSA-N 0 0 342.395 2.442 10 10 EECERN CO[C@H]1COCC[C@H]1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000294626528 464557202 /nfs/dbraw/zinc/55/72/02/464557202.db2.gz WVPJMEDESLYFAI-WMZOPIPTSA-N 0 0 332.444 2.345 10 10 EECERN CO[C@H]1COCC[C@H]1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000294737419 464591415 /nfs/dbraw/zinc/59/14/15/464591415.db2.gz NZBXJXNBOHBRMG-WMZOPIPTSA-N 0 0 332.444 2.127 10 10 EECERN COc1ccc(CN2CC[C@H]2CNC(=O)c2cccc(O)c2O)cc1 ZINC000529834803 467917239 /nfs/dbraw/zinc/91/72/39/467917239.db2.gz HIALOVRVVHWURS-AWEZNQCLSA-N 0 0 342.395 2.111 10 10 EECERN COc1cccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1O ZINC000774524264 577402159 /nfs/dbraw/zinc/40/21/59/577402159.db2.gz KQNMPORDPCMCPX-UHFFFAOYSA-N 0 0 345.311 2.252 10 10 EECERN COc1c(O)c(CN2CCC[C@H]2C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000774904303 577422705 /nfs/dbraw/zinc/42/27/05/577422705.db2.gz GZCVCQUAVUULTH-ZDUSSCGKSA-N 0 0 338.360 2.225 10 10 EECERN Cc1cc(C(=O)N2CCOC[C@@H]2CCO)c(C)n1-c1ccc(F)cc1 ZINC000765431411 577501024 /nfs/dbraw/zinc/50/10/24/577501024.db2.gz WVFFJMXAWJWQIT-KRWDZBQOSA-N 0 0 346.402 2.457 10 10 EECERN [O-]c1c(Br)cccc1C[N@H+]1CCSC[C@@H]1CCO ZINC000770305749 577593730 /nfs/dbraw/zinc/59/37/30/577593730.db2.gz SOMJZMWTOQZAMM-NSHDSACASA-N 0 0 332.263 2.455 10 10 EECERN Cn1c(COC(=O)c2cccc(O)c2O)nnc1-c1ccccc1 ZINC000758561707 577627256 /nfs/dbraw/zinc/62/72/56/577627256.db2.gz QMVGLXZBGYMZNP-UHFFFAOYSA-N 0 0 325.324 2.250 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN2CC3(C2)CC(F)(F)C3)cc1 ZINC000761113612 577676879 /nfs/dbraw/zinc/67/68/79/577676879.db2.gz HGAQDKGFCDMBAS-UHFFFAOYSA-N 0 0 337.414 2.442 10 10 EECERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc(OCC)ccc1O ZINC000763482213 577721772 /nfs/dbraw/zinc/72/17/72/577721772.db2.gz XDNSAOKDLFPQHB-QGZVFWFLSA-N 0 0 344.411 2.450 10 10 EECERN CCOCCOCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751301994 577750411 /nfs/dbraw/zinc/75/04/11/577750411.db2.gz HCMRNDONVFHDOK-UHFFFAOYSA-N 0 0 340.383 2.388 10 10 EECERN C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756481571 577844815 /nfs/dbraw/zinc/84/48/15/577844815.db2.gz CIGPOYSFUVKWBG-LBPRGKRZSA-N 0 0 329.356 2.381 10 10 EECERN COc1ccc2ccc(O)c(CN3CCN(C4CC4)C(=O)C3)c2c1 ZINC000748263187 577958434 /nfs/dbraw/zinc/95/84/34/577958434.db2.gz INCYQFROCWVFOH-UHFFFAOYSA-N 0 0 326.396 2.361 10 10 EECERN CC[C@H]([C@H]1CCCOC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925095294 683347442 /nfs/dbraw/zinc/34/74/42/683347442.db2.gz JHAHTDJHSLPWJG-LSDHHAIUSA-N 0 0 332.400 2.362 10 10 EECERN COc1cccc(C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c1O ZINC000185757802 684487304 /nfs/dbraw/zinc/48/73/04/684487304.db2.gz YQBFWZPCBYEQLV-UHFFFAOYSA-N 0 0 340.383 2.388 10 10 EECERN COC(=O)C1CC([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895458152 684607015 /nfs/dbraw/zinc/60/70/15/684607015.db2.gz UFBGMFMKPKIMAR-UHFFFAOYSA-N 0 0 332.169 2.335 10 10 EECERN CC(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)C1 ZINC000897004201 686045918 /nfs/dbraw/zinc/04/59/18/686045918.db2.gz DNBODVYCWHXRQD-VIFPVBQESA-N 0 0 334.397 2.005 10 10 EECERN CCOC(=O)CN1c2ccccc2/C(=C/c2nn(CC)nc2C)C1=O ZINC000840734906 688791432 /nfs/dbraw/zinc/79/14/32/688791432.db2.gz KMTLQVRLMKAFHK-UVTDQMKNSA-N 0 0 340.383 2.057 10 10 EECERN Cc1cnn(C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C(=O)[O-])c1 ZINC000904005292 694266408 /nfs/dbraw/zinc/26/64/08/694266408.db2.gz KUXKJGHSJGDVAU-CHYADLBTSA-N 0 0 328.416 2.014 10 10 EECERN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N(C)Cc3ccccc3O)[C@@H]2C1 ZINC000897715512 691761610 /nfs/dbraw/zinc/76/16/10/691761610.db2.gz MGXANQZHUGAKRR-TUVASFSCSA-N 0 0 332.400 2.121 10 10 EECERN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N3Cc4cccc(O)c4C3)[C@@H]2C1 ZINC000897743120 691777118 /nfs/dbraw/zinc/77/71/18/691777118.db2.gz RYRSKFGRCZFTHG-COMQUAJESA-N 0 0 330.384 2.005 10 10 EECERN COC(=O)[C@@H](CC1CC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897969535 691826498 /nfs/dbraw/zinc/82/64/98/691826498.db2.gz CNHLDSIBWGGHFA-SNVBAGLBSA-N 0 0 335.381 2.384 10 10 EECERN CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1ccon1 ZINC001691059072 1177478897 /nfs/dbraw/zinc/47/88/97/1177478897.db2.gz OIXPWZDBKWNUIA-UHFFFAOYSA-N 0 0 344.375 2.089 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1nccs1 ZINC001266996461 1178054964 /nfs/dbraw/zinc/05/49/64/1178054964.db2.gz QDFIMVZJOIIMJR-JTQLQIEISA-N 0 0 346.416 2.214 10 10 EECERN CC(C)C[C@]1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCNC1=O ZINC000864634223 1197855708 /nfs/dbraw/zinc/85/57/08/1197855708.db2.gz PIWRKBASBNAMGU-LJQANCHMSA-N 0 0 331.460 2.263 10 10 EECERN CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000865051520 1198064586 /nfs/dbraw/zinc/06/45/86/1198064586.db2.gz MSOQTTGZFSMBTM-UONOGXRCSA-N 0 0 336.407 2.487 10 10 EECERN CCO[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCOC1 ZINC000865054071 1198064938 /nfs/dbraw/zinc/06/49/38/1198064938.db2.gz OXANYWZKXORPIC-WMZOPIPTSA-N 0 0 332.444 2.127 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\COC1CCOCC1 ZINC000865904272 1198419709 /nfs/dbraw/zinc/41/97/09/1198419709.db2.gz LHEBZJSALPMARO-PLNGDYQASA-N 0 0 332.444 2.429 10 10 EECERN CS(C)(=O)=Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001137464974 1248641021 /nfs/dbraw/zinc/64/10/21/1248641021.db2.gz ZDAQSNPGIQQIRU-UHFFFAOYSA-N 0 0 348.424 2.429 10 10 EECERN Cc1cn(C2CCOCC2)nc1C(=O)NCc1cc(C)ccc1O ZINC000869410230 1200067846 /nfs/dbraw/zinc/06/78/46/1200067846.db2.gz ICOQSDGVISHGFQ-UHFFFAOYSA-N 0 0 329.400 2.487 10 10 EECERN C[C@@H]1C[C@@H](C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)O1 ZINC000869655066 1200202141 /nfs/dbraw/zinc/20/21/41/1200202141.db2.gz VTYYAYGDXJWYHD-JKIFEVAISA-N 0 0 348.443 2.068 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCCc2cccnc2OC)c1 ZINC000811970046 1200440248 /nfs/dbraw/zinc/44/02/48/1200440248.db2.gz QWDSNIFIBMEKAK-LBPRGKRZSA-N 0 0 345.399 2.407 10 10 EECERN Cc1cccc([C@@H](CC(=O)N2Cc3cccc(O)c3C2)NC(N)=O)c1 ZINC000871199616 1201097412 /nfs/dbraw/zinc/09/74/12/1201097412.db2.gz ZXZLVXRKZPTRGM-MRXNPFEDSA-N 0 0 339.395 2.343 10 10 EECERN CN(CC(=O)NC(C)(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127992252 1201243889 /nfs/dbraw/zinc/24/38/89/1201243889.db2.gz FJALSLBIZIXMTI-UHFFFAOYSA-N 0 0 344.459 2.119 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000880660270 1201554046 /nfs/dbraw/zinc/55/40/46/1201554046.db2.gz HELMTWMHLWEELR-DFEHZGFQSA-N 0 0 330.428 2.205 10 10 EECERN O=C(Nc1ccc2c(c1)CCCN2)C(=O)N1Cc2cccc(O)c2C1 ZINC000868299757 1201786688 /nfs/dbraw/zinc/78/66/88/1201786688.db2.gz NPRVDGKFKDMKGF-UHFFFAOYSA-N 0 0 337.379 2.231 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccnc(F)c3)C2)cc1 ZINC000868762820 1201874285 /nfs/dbraw/zinc/87/42/85/1201874285.db2.gz VPFUQYGJVCCHKF-CQSZACIVSA-N 0 0 344.390 2.307 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@H]3[C@@H]4OC[C@@H]5C[C@H]3C[C@@H]54)ccc21 ZINC000868902826 1201902772 /nfs/dbraw/zinc/90/27/72/1201902772.db2.gz HKAOWKYCIWXUJG-BEIYGRMHSA-N 0 0 341.455 2.292 10 10 EECERN Cc1ccccc1-c1noc(=O)n1CC(=O)c1ccc(O)c(O)c1 ZINC000131949219 1202073638 /nfs/dbraw/zinc/07/36/38/1202073638.db2.gz ACNFQTZEQUCACE-UHFFFAOYSA-N 0 0 326.308 2.106 10 10 EECERN CC/C=C(/F)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000924252238 1205950889 /nfs/dbraw/zinc/95/08/89/1205950889.db2.gz IHBFLISJOOPYAC-HQYXKAPLSA-N 0 0 333.407 2.268 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C[C@H]2CCOC2)c1O ZINC000933671798 1207811183 /nfs/dbraw/zinc/81/11/83/1207811183.db2.gz QFVAJMJJHYUEAR-CZUORRHYSA-N 0 0 337.391 2.361 10 10 EECERN CCC(C)(C)NC(=O)CN(CCOC)c1ccc(OC)c(OC)c1 ZINC000081155870 1211138780 /nfs/dbraw/zinc/13/87/80/1211138780.db2.gz MWQOIPBAPICFCW-UHFFFAOYSA-N 0 0 338.448 2.461 10 10 EECERN Nc1ccc(Cc2nc(C(=O)N3CCN(C4CC4)CC3)cs2)cc1 ZINC000827832977 1248812208 /nfs/dbraw/zinc/81/22/08/1248812208.db2.gz QFCNSKCHWOGTFB-UHFFFAOYSA-N 0 0 342.468 2.236 10 10 EECERN COc1cc(C)cc(/C=C2/SC(N3CCOCC3)=NC2=O)c1OC ZINC000901442421 1235805358 /nfs/dbraw/zinc/80/53/58/1235805358.db2.gz JNNDOIBGCWCRBO-GXDHUFHOSA-N 0 0 348.424 2.315 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC000827576016 1248469540 /nfs/dbraw/zinc/46/95/40/1248469540.db2.gz XWHZOBILYCTJNA-ILXRZTDVSA-N 0 0 347.434 2.060 10 10 EECERN COC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])C1CCOCC1 ZINC000850494210 1277245883 /nfs/dbraw/zinc/24/58/83/1277245883.db2.gz OSYFVHOTEOTLAG-WBMJQRKESA-N 0 0 337.416 2.271 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000850625262 1277284187 /nfs/dbraw/zinc/28/41/87/1277284187.db2.gz CDGWHGWWUSOABV-GDBMZVCRSA-N 0 0 348.443 2.205 10 10 EECERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000850753364 1277327051 /nfs/dbraw/zinc/32/70/51/1277327051.db2.gz YHQFYHLGRQVOJR-ZJUUUORDSA-N 0 0 345.321 2.474 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@@H](C)O3)C2)cc1 ZINC000854126715 1292635556 /nfs/dbraw/zinc/63/55/56/1292635556.db2.gz AGYHWCQAZFFAEM-KEYYUXOJSA-N 0 0 333.432 2.141 10 10 EECERN Cc1cc(CC(=O)N2CCC[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000854242730 1292684626 /nfs/dbraw/zinc/68/46/26/1292684626.db2.gz FKFZRIUEZYANFD-MRXNPFEDSA-N 0 0 339.439 2.361 10 10 EECERN CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296649 1292707533 /nfs/dbraw/zinc/70/75/33/1292707533.db2.gz FOLJVLICEVPKRO-CVEARBPZSA-N 0 0 346.475 2.010 10 10 EECERN CCC[C@@](C)(CO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299430 1292711235 /nfs/dbraw/zinc/71/12/35/1292711235.db2.gz ISARZCAGALWUBE-KSSFIOAISA-N 0 0 335.448 2.124 10 10 EECERN Cc1cc(CC(=O)N2CC[C@@H](CC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000854484418 1292803002 /nfs/dbraw/zinc/80/30/02/1292803002.db2.gz PPQPUFVNHPXSMN-INIZCTEOSA-N 0 0 339.439 2.361 10 10 EECERN Cc1cc(CC(=O)N2CCO[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1 ZINC000854950594 1292999236 /nfs/dbraw/zinc/99/92/36/1292999236.db2.gz LMVUXZKWWHKKLP-VQIMIIECSA-N 0 0 342.439 2.245 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000854988220 1293023304 /nfs/dbraw/zinc/02/33/04/1293023304.db2.gz QMIPHRQVDKJKMT-UKRRQHHQSA-N 0 0 335.400 2.099 10 10 EECERN CCOc1nc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)co1 ZINC000855225891 1293118894 /nfs/dbraw/zinc/11/88/94/1293118894.db2.gz LSCOAZCOZVZJJQ-LBPRGKRZSA-N 0 0 331.372 2.091 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCCCCNC(C)=O)C2)cc1 ZINC000855230023 1293121178 /nfs/dbraw/zinc/12/11/78/1293121178.db2.gz CASSHSAJDCROSL-MRXNPFEDSA-N 0 0 347.459 2.087 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCOCC1 ZINC000856212500 1293446639 /nfs/dbraw/zinc/44/66/39/1293446639.db2.gz OCTXXLPGAHKSSQ-OAHLLOKOSA-N 0 0 346.471 2.327 10 10 EECERN COc1cc(O)c(CN2Cc3ccccc3N(C)C(=O)C2)cc1OC ZINC000857882568 1293940455 /nfs/dbraw/zinc/94/04/55/1293940455.db2.gz UGLAYUHTAMKCQW-UHFFFAOYSA-N 0 0 342.395 2.388 10 10 EECERN COc1nc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)co1 ZINC000858785440 1294223404 /nfs/dbraw/zinc/22/34/04/1294223404.db2.gz GZBYAHMXKNOGJP-LBPRGKRZSA-N 0 0 331.372 2.011 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000858803133 1294230999 /nfs/dbraw/zinc/23/09/99/1294230999.db2.gz SZZDQMGXUIDIJD-YMOJXRKHSA-N 0 0 346.383 2.380 10 10 EECERN Cc1cc(CNC(=O)N2CC(=O)N(C)C2)c(C)n1-c1cccc(C)c1 ZINC000858905244 1294257168 /nfs/dbraw/zinc/25/71/68/1294257168.db2.gz PJTHDKCPMRYTSB-UHFFFAOYSA-N 0 0 340.427 2.344 10 10 EECERN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000862466370 1295854016 /nfs/dbraw/zinc/85/40/16/1295854016.db2.gz YWJZZMRNQHOSLK-NSHDSACASA-N 0 0 326.736 2.305 10 10 EECERN COc1c([O-])c(C[NH2+]C[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000862523135 1295866577 /nfs/dbraw/zinc/86/65/77/1295866577.db2.gz SABDOXBSXLUMCE-CQSZACIVSA-N 0 0 335.404 2.416 10 10 EECERN COc1cc(NS(=O)(=O)CCOc2ccc(F)cc2)ccc1O ZINC000797820325 1304845574 /nfs/dbraw/zinc/84/55/74/1304845574.db2.gz RKMNCYLSIYXCFW-UHFFFAOYSA-N 0 0 341.360 2.361 10 10 EECERN CC(C)(CNC(=O)C(=O)NCCc1ccc(N)cc1)CC(F)(F)F ZINC001118529295 1308875468 /nfs/dbraw/zinc/87/54/68/1308875468.db2.gz NMPJMIQNQXWLKD-UHFFFAOYSA-N 0 0 345.365 2.022 10 10 EECERN C[C@@H]1c2ccccc2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001118646442 1308910994 /nfs/dbraw/zinc/91/09/94/1308910994.db2.gz RGNRTKWFSLKOOD-CQSZACIVSA-N 0 0 337.423 2.472 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1c[nH]nc1[N+](=O)[O-] ZINC001141723127 1315258521 /nfs/dbraw/zinc/25/85/21/1315258521.db2.gz OAGSZHQDSMFYSW-UHFFFAOYSA-N 0 0 349.310 2.280 10 10 EECERN c1cc(N2CCOCC2)ccc1CNc1nc(C2CCOCC2)no1 ZINC000840250291 1315335648 /nfs/dbraw/zinc/33/56/48/1315335648.db2.gz ZOBMNEHKQYHMSS-UHFFFAOYSA-N 0 0 344.415 2.412 10 10 EECERN Cc1nc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(N)cc2)cs1 ZINC000841091210 1315473129 /nfs/dbraw/zinc/47/31/29/1315473129.db2.gz ZSNWUNHBCQUKCW-CQSZACIVSA-N 0 0 330.413 2.336 10 10 EECERN C[C@H](C(=O)N[C@@H](C)c1ccccc1O)N1C(=O)c2ccccc2C1=O ZINC001151899512 1316604998 /nfs/dbraw/zinc/60/49/98/1316604998.db2.gz DFHUDRFWPAUPAD-NWDGAFQWSA-N 0 0 338.363 2.254 10 10 EECERN Cn1nnc2cc(C(=O)NCc3ccc4cccnc4c3O)ccc21 ZINC001162612968 1320912317 /nfs/dbraw/zinc/91/23/17/1320912317.db2.gz STVQIHHFXYJJPE-UHFFFAOYSA-N 0 0 333.351 2.152 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCC[C@](O)(C3CC3)C2)cc1F ZINC001261654817 1322148441 /nfs/dbraw/zinc/14/84/41/1322148441.db2.gz DDDKNYOUTSKAOY-GOSISDBHSA-N 0 0 335.423 2.338 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCn3c(nnc3C(F)F)C2)cc1 ZINC001297239994 1329953419 /nfs/dbraw/zinc/95/34/19/1329953419.db2.gz RFTSFNMSMVGDRF-UHFFFAOYSA-N 0 0 349.301 2.034 10 10 EECERN CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)C=Cc1ccc(O)c(O)c1 ZINC001299921034 1330168986 /nfs/dbraw/zinc/16/89/86/1330168986.db2.gz AUSNTCDNFZYPCI-FNORWQNLSA-N 0 0 345.355 2.428 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@](C)(O)c1ccco1 ZINC001304794413 1331398030 /nfs/dbraw/zinc/39/80/30/1331398030.db2.gz JHLTZSOZUQKDRD-GOSISDBHSA-N 0 0 342.399 2.429 10 10 EECERN Cn1c2ccccc2n(CC(=O)NCc2cccc(Cl)c2O)c1=O ZINC001305069759 1331407733 /nfs/dbraw/zinc/40/77/33/1331407733.db2.gz NNLONRLQCXHBSC-UHFFFAOYSA-N 0 0 345.786 2.015 10 10 EECERN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(O)c2O)C2(CC2)C1 ZINC001305570036 1331430767 /nfs/dbraw/zinc/43/07/67/1331430767.db2.gz JKSHNGDSVMLQLN-ZDUSSCGKSA-N 0 0 348.399 2.227 10 10 EECERN CN1CCCc2cc(CNC(=O)N3C[C@@H]4COC[C@]4(C)C3)ccc21 ZINC001328024175 1334380387 /nfs/dbraw/zinc/38/03/87/1334380387.db2.gz NMFMZSTUNZIXIF-APWZRJJASA-N 0 0 329.444 2.247 10 10 EECERN CC(C)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC001333268514 1335992501 /nfs/dbraw/zinc/99/25/01/1335992501.db2.gz HZLULVCERMIRPI-UHFFFAOYSA-N 0 0 334.397 2.005 10 10 EECERN CS(=O)(=O)c1ccc(NCc2c(O)cccc2O)c([N+](=O)[O-])c1 ZINC001559288003 1342500161 /nfs/dbraw/zinc/50/01/61/1342500161.db2.gz LVNOVSYFOIGCEZ-UHFFFAOYSA-N 0 0 338.341 2.022 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2[nH]cnc2c1F ZINC001567467262 1342764878 /nfs/dbraw/zinc/76/48/78/1342764878.db2.gz FQIMLGADUXGFJS-SECBINFHSA-N 0 0 329.331 2.474 10 10 EECERN CCC[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001575393631 1343786210 /nfs/dbraw/zinc/78/62/10/1343786210.db2.gz DNHPJZCAYJPENQ-TZMCWYRMSA-N 0 0 345.403 2.131 10 10 EECERN CC(=O)NCCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001581558394 1344638143 /nfs/dbraw/zinc/63/81/43/1344638143.db2.gz KXBNTVPKRIRLKC-UHFFFAOYSA-N 0 0 333.392 2.226 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2cc3n(n2)CCC[C@@H]3O)cc1 ZINC001587404611 1348862670 /nfs/dbraw/zinc/86/26/70/1348862670.db2.gz HFVAZKYMORHQMV-KRWDZBQOSA-N 0 0 328.416 2.049 10 10 EECERN Cn1cc(-c2ncccc2C(=O)N2C[C@H](CO)c3ccccc32)cn1 ZINC001628197562 1352524919 /nfs/dbraw/zinc/52/49/19/1352524919.db2.gz QWHBJJQXVUSGSW-CQSZACIVSA-N 0 0 334.379 2.218 10 10 EECERN Cc1ccc(Cn2nccc2NC(=O)Cc2ccc(O)c(O)c2)o1 ZINC001628343859 1352530973 /nfs/dbraw/zinc/53/09/73/1352530973.db2.gz LFQHSRRIBIWTFX-UHFFFAOYSA-N 0 0 327.340 2.425 10 10 EECERN COC(=O)c1ccc(Cl)c(C(=O)NCc2cccc(O)c2O)c1 ZINC001637045904 1352671551 /nfs/dbraw/zinc/67/15/51/1352671551.db2.gz MVBGCHVIPOUZMP-UHFFFAOYSA-N 0 0 335.743 2.468 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccc(-n2cccn2)c(F)c1 ZINC001644711028 1352767547 /nfs/dbraw/zinc/76/75/47/1352767547.db2.gz OXYMCVNIDQWALO-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN C[C@H](C(=O)NCc1cc(O)ccc1O)N1CCc2ccccc2C1 ZINC001644752508 1352768207 /nfs/dbraw/zinc/76/82/07/1352768207.db2.gz IHIQPRAQYYKXRM-CYBMUJFWSA-N 0 0 326.396 2.161 10 10 EECERN CCc1noc([C@@H]2CC[C@H](NC(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC001646201168 1352820813 /nfs/dbraw/zinc/82/08/13/1352820813.db2.gz CDLJOYJXEKCUJO-MNOVXSKESA-N 0 0 331.372 2.418 10 10 EECERN Cc1ccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[nH]3)CC2)c(O)c1O ZINC001648505053 1353431764 /nfs/dbraw/zinc/43/17/64/1353431764.db2.gz SFXFHGIEEPYXKN-HAQNSBGRSA-N 0 0 343.383 2.358 10 10 EECERN C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C ZINC001680035468 1357791508 /nfs/dbraw/zinc/79/15/08/1357791508.db2.gz GIJWIQSZUWBKEP-JTNHKYCSSA-N 0 0 345.403 2.082 10 10 EECERN O=C(NCc1cnc(Cl)cn1)NCc1cc(Cl)ccc1O ZINC001684761938 1358278932 /nfs/dbraw/zinc/27/89/32/1358278932.db2.gz VCKVUODJNVODQG-UHFFFAOYSA-N 0 0 327.171 2.488 10 10 EECERN COC(=O)C1CCC(S(=O)(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000919117751 769594446 /nfs/dbraw/zinc/59/44/46/769594446.db2.gz GPMLKXYUGMPVGT-PNESKVBLSA-N 0 0 341.429 2.104 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000817123909 784520171 /nfs/dbraw/zinc/52/01/71/784520171.db2.gz JTGAKXSQQJKOAB-HRLNJXSSSA-N 0 0 334.372 2.236 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1CCCc1ccccn1 ZINC000819167388 785442731 /nfs/dbraw/zinc/44/27/31/785442731.db2.gz BTBUVEXJZIYNJA-UHFFFAOYSA-N 0 0 325.368 2.184 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/[C@@H]1CCCO1 ZINC000819700212 785647764 /nfs/dbraw/zinc/64/77/64/785647764.db2.gz UOFXESAUKVGRNY-FEAKQIBJSA-N 0 0 333.384 2.019 10 10 EECERN COc1cccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000821066448 786584391 /nfs/dbraw/zinc/58/43/91/786584391.db2.gz YHOOVERZXNJUMH-CHWSQXEVSA-N 0 0 335.400 2.385 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)[C@@H]3CCCO3)C2)cc1 ZINC000911277909 787348538 /nfs/dbraw/zinc/34/85/38/787348538.db2.gz YATCZZLWVWVKMN-RKVPGOIHSA-N 0 0 332.444 2.453 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C[C@@H](O)c1ccc(F)cn1 ZINC000823576576 787805117 /nfs/dbraw/zinc/80/51/17/787805117.db2.gz SXBYJMCMNLZOEC-QGZVFWFLSA-N 0 0 348.374 2.025 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)NCC3=CCOCC3)C2)cc1 ZINC000823660978 787858001 /nfs/dbraw/zinc/85/80/01/787858001.db2.gz RLGSFXINVRWDBT-INIZCTEOSA-N 0 0 345.443 2.167 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)NCC3=CCOCC3)C2)cc1 ZINC000823660979 787858897 /nfs/dbraw/zinc/85/88/97/787858897.db2.gz RLGSFXINVRWDBT-MRXNPFEDSA-N 0 0 345.443 2.167 10 10 EECERN COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1O ZINC000825202186 788497276 /nfs/dbraw/zinc/49/72/76/788497276.db2.gz PRXSNNPAEXWRIR-JSGCOSHPSA-N 0 0 345.848 2.206 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)C(C)(C)c2cnn(C)c2)cc1 ZINC000844856285 789403146 /nfs/dbraw/zinc/40/31/46/789403146.db2.gz NNGCHUYCGBWWGT-UHFFFAOYSA-N 0 0 344.459 2.301 10 10 EECERN CN1CCCc2cc(CNC(=O)Cc3cn4c(n3)CCCC4)ccc21 ZINC000845334105 789736440 /nfs/dbraw/zinc/73/64/40/789736440.db2.gz CFATWLSFWJFSFN-UHFFFAOYSA-N 0 0 338.455 2.461 10 10 EECERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC001148234291 792270401 /nfs/dbraw/zinc/27/04/01/792270401.db2.gz ZBJQYCFZXWCOBH-MIMYLULJSA-N 0 0 346.408 2.052 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3C[C@H]4C[C@@]4(O)C3)c2C)cc1 ZINC000921892240 797911116 /nfs/dbraw/zinc/91/11/16/797911116.db2.gz OUTSCKNUPJXDAE-AUUYWEPGSA-N 0 0 326.396 2.310 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cc(Cc2ccccc2)n[nH]1 ZINC000786391784 806765548 /nfs/dbraw/zinc/76/55/48/806765548.db2.gz JIEZSKCQMNTJMY-UHFFFAOYSA-N 0 0 337.379 2.384 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H](O)CC(F)(F)C1 ZINC000786708523 806847229 /nfs/dbraw/zinc/84/72/29/806847229.db2.gz MZIINWILSCUULP-HNNXBMFYSA-N 0 0 339.386 2.198 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000922431287 801040491 /nfs/dbraw/zinc/04/04/91/801040491.db2.gz HPYPDHONNXISSS-RFAUZJTJSA-N 0 0 346.408 2.053 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@H](C(=O)OC)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000786817507 806912284 /nfs/dbraw/zinc/91/22/84/806912284.db2.gz YTUHYWDNAXLPMW-FXOGGVSJSA-N 0 0 348.355 2.169 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@H](C(=O)OC)[C@H]2C)c([N+](=O)[O-])c1 ZINC000786817508 806912317 /nfs/dbraw/zinc/91/23/17/806912317.db2.gz YTUHYWDNAXLPMW-HASJVIIQSA-N 0 0 348.355 2.169 10 10 EECERN O=C(NCc1nccn1-c1ccccc1)c1c(F)ccc(O)c1O ZINC001183303829 801554977 /nfs/dbraw/zinc/55/49/77/801554977.db2.gz ZDWQVQXCIQLWRJ-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN CCN(CC)c1ccc(CN[C@@H](C(=O)OC)c2ccn(C)n2)cc1F ZINC000787438661 807120142 /nfs/dbraw/zinc/12/01/42/807120142.db2.gz SRLKHPWRSGAORA-QGZVFWFLSA-N 0 0 348.422 2.409 10 10 EECERN Cc1cc(C(=O)N2C[C@H](O)CC(F)(F)C2)c(C)n1-c1ccccn1 ZINC000787550418 807144507 /nfs/dbraw/zinc/14/45/07/807144507.db2.gz MWEFORAJZTXSDO-CYBMUJFWSA-N 0 0 335.354 2.331 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(F)(F)C1CCOCC1 ZINC000790867243 808950429 /nfs/dbraw/zinc/95/04/29/808950429.db2.gz RZSJUTORKHJMSS-SNVBAGLBSA-N 0 0 329.343 2.207 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCCc2c(C)nn(C)c2C)c1 ZINC000103509333 809835424 /nfs/dbraw/zinc/83/54/24/809835424.db2.gz ATOHEWWIVKEONR-NSHDSACASA-N 0 0 346.431 2.354 10 10 EECERN COc1ccc(CNC(=O)NCCc2cnc(C3CC3)nc2)c(O)c1 ZINC000793018439 810106972 /nfs/dbraw/zinc/10/69/72/810106972.db2.gz ZUCGHKPUSFVSML-UHFFFAOYSA-N 0 0 342.399 2.110 10 10 EECERN CC(C)Oc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1 ZINC000794311126 810760710 /nfs/dbraw/zinc/76/07/10/810760710.db2.gz DHKKJUJESVVXFA-LLVKDONJSA-N 0 0 346.387 2.428 10 10 EECERN COc1ccc(CNC(=O)c2c[nH]cc2-c2cnn(C)c2)c(O)c1 ZINC000794382053 810807287 /nfs/dbraw/zinc/80/72/87/810807287.db2.gz WRPYVSZGNIAOMQ-UHFFFAOYSA-N 0 0 326.356 2.059 10 10 EECERN COc1ccc(CNC(=O)c2ccc(N(C)C(C)=O)cc2)c(O)c1 ZINC000794381634 810807376 /nfs/dbraw/zinc/80/73/76/810807376.db2.gz QMQSDFZRQWUSKT-UHFFFAOYSA-N 0 0 328.368 2.314 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000808546007 812713640 /nfs/dbraw/zinc/71/36/40/812713640.db2.gz WOBNWDJQOWRICV-UHFFFAOYSA-N 0 0 335.262 2.467 10 10 EECERN COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001447408222 1102603480 /nfs/dbraw/zinc/60/34/80/1102603480.db2.gz LMRHDQKYNILHGA-SECBINFHSA-N 0 0 346.265 2.073 10 10 EECERN Cc1ccn2cnc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2c1 ZINC001447563155 1102867656 /nfs/dbraw/zinc/86/76/56/1102867656.db2.gz MFIWNCMVFFERNX-LBPRGKRZSA-N 0 0 325.368 2.415 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001453507536 1106266781 /nfs/dbraw/zinc/26/67/81/1106266781.db2.gz LHIZHKLXPVKQOM-KRWDZBQOSA-N 0 0 341.342 2.408 10 10 EECERN Cc1cc(C(=O)N2CCN(C)C[C@H]2CO)c(C)n1-c1ccccc1C ZINC001454222203 1106910229 /nfs/dbraw/zinc/91/02/29/1106910229.db2.gz OQRXVCCTRQLKTE-KRWDZBQOSA-N 0 0 341.455 2.151 10 10 EECERN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC001454807024 1107692380 /nfs/dbraw/zinc/69/23/80/1107692380.db2.gz PRMZOSCXVDPZFO-GFCCVEGCSA-N 0 0 348.424 2.147 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC001463785316 1110380709 /nfs/dbraw/zinc/38/07/09/1110380709.db2.gz PZDDVROYPBSWFD-UHFFFAOYSA-N 0 0 326.352 2.171 10 10 EECERN COc1ccc(-c2cc(C(=O)NCc3ccc(O)cc3O)[nH]n2)cc1 ZINC001469158912 1110486105 /nfs/dbraw/zinc/48/61/05/1110486105.db2.gz GVOPZCSNXSCTPB-UHFFFAOYSA-N 0 0 339.351 2.427 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1nc(C(N)=O)co1 ZINC001470018358 1110499943 /nfs/dbraw/zinc/49/99/43/1110499943.db2.gz GCTKXADFKZFYDD-UHFFFAOYSA-N 0 0 344.396 2.173 10 10 EECERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cccc(O)c1O ZINC001471642162 1110526809 /nfs/dbraw/zinc/52/68/09/1110526809.db2.gz MBVZIEISJJJZCM-GHMZBOCLSA-N 0 0 338.404 2.263 10 10 EECERN C[C@@H]1C[C@H]1n1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O ZINC001512057408 1118381575 /nfs/dbraw/zinc/38/15/75/1118381575.db2.gz VKIBNLHOJFRQSX-KWCYVHTRSA-N 0 0 341.415 2.152 10 10 EECERN CN(C)c1ccc(CN(C(=O)NCCc2cn[nH]c2)C2CC2)cc1 ZINC000292037279 529779534 /nfs/dbraw/zinc/77/95/34/529779534.db2.gz FLERHYWJENSPHZ-UHFFFAOYSA-N 0 0 327.432 2.392 10 10 EECERN Cc1ccc(N2C(=O)[C@H](CN3CCOCC3)SC2=S)c(C)c1 ZINC000020356995 202039474 /nfs/dbraw/zinc/03/94/74/202039474.db2.gz GVSNEVDYHQNVSO-AWEZNQCLSA-N 0 0 336.482 2.369 10 10 EECERN COc1cccc(CNC(=O)[C@H]2CCCN2CC(F)(F)F)c1O ZINC000291592985 533507541 /nfs/dbraw/zinc/50/75/41/533507541.db2.gz BWZQMCIGGFOVLN-LLVKDONJSA-N 0 0 332.322 2.044 10 10 EECERN COc1cccc(CN2CCN(Cc3cnc(C)s3)CC2)c1O ZINC000120449068 462999569 /nfs/dbraw/zinc/99/95/69/462999569.db2.gz CWQXBNMLIDQNCQ-UHFFFAOYSA-N 0 0 333.457 2.484 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](NC(=O)OC)C(C)C ZINC000161802195 463458613 /nfs/dbraw/zinc/45/86/13/463458613.db2.gz YZIYNAAHFARSPB-MRXNPFEDSA-N 0 0 335.448 2.482 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000276917529 463805405 /nfs/dbraw/zinc/80/54/05/463805405.db2.gz OLIPARJDOKTWLC-UHFFFAOYSA-N 0 0 333.457 2.297 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@H]3CCCOC3)CC2)cc1 ZINC000171610961 463892104 /nfs/dbraw/zinc/89/21/04/463892104.db2.gz UVOMPJKRFNUKST-HNNXBMFYSA-N 0 0 333.432 2.096 10 10 EECERN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCC1 ZINC000287492516 463905415 /nfs/dbraw/zinc/90/54/15/463905415.db2.gz SWVMPDHOASEJNR-OAHLLOKOSA-N 0 0 341.455 2.374 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000270722760 464264777 /nfs/dbraw/zinc/26/47/77/464264777.db2.gz IGDCZDPDWGUQMT-HNNXBMFYSA-N 0 0 340.427 2.285 10 10 EECERN Oc1cc2c(cc1CN1CCOC[C@@H]1C[C@H](O)c1ccco1)OCO2 ZINC000271238389 464288859 /nfs/dbraw/zinc/28/88/59/464288859.db2.gz BNHNOPGFADJSFK-ZFWWWQNUSA-N 0 0 347.367 2.038 10 10 EECERN C[C@H](O)C1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000265622143 464621193 /nfs/dbraw/zinc/62/11/93/464621193.db2.gz QNOKCPZAJOYVOR-RRGWEWPQSA-N 0 0 344.455 2.156 10 10 EECERN CC(=O)NC1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000190452289 464648590 /nfs/dbraw/zinc/64/85/90/464648590.db2.gz GIAWZQBYVIEWJK-UHFFFAOYSA-N 0 0 329.375 2.194 10 10 EECERN CCOc1ccc(O)c(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000248805741 464803826 /nfs/dbraw/zinc/80/38/26/464803826.db2.gz BBRUAYAINLPEGY-CABCVRRESA-N 0 0 333.388 2.444 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](Cn3cccn3)C2)c1O ZINC000177139472 464939844 /nfs/dbraw/zinc/93/98/44/464939844.db2.gz OMVNRZVIJRCEBE-OAHLLOKOSA-N 0 0 349.818 2.346 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCOCC1 ZINC000365122170 466732931 /nfs/dbraw/zinc/73/29/31/466732931.db2.gz QYWNQSSSRIJFCE-KRWDZBQOSA-N 0 0 332.444 2.298 10 10 EECERN Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c(O)c1O ZINC000373745087 466908277 /nfs/dbraw/zinc/90/82/77/466908277.db2.gz PEXZGJXHHKPTSZ-ZJNRKIDTSA-N 0 0 335.400 2.205 10 10 EECERN COc1ccc(N2CCC(NC(=O)/C=C/c3cnccn3)CC2)cc1 ZINC000726561891 576274040 /nfs/dbraw/zinc/27/40/40/576274040.db2.gz XUUXFSUFVVJZJC-FARCUNLSSA-N 0 0 338.411 2.284 10 10 EECERN Cc1nn(C)c(C)c1CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734519880 577302505 /nfs/dbraw/zinc/30/25/05/577302505.db2.gz ASLJAFMLBYOJOJ-UHFFFAOYSA-N 0 0 343.475 2.453 10 10 EECERN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000775367601 577435983 /nfs/dbraw/zinc/43/59/83/577435983.db2.gz ADUXQMSMMASFMP-NWDGAFQWSA-N 0 0 336.388 2.003 10 10 EECERN CNC(=O)CCOC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000775736780 577444190 /nfs/dbraw/zinc/44/41/90/577444190.db2.gz JQSUOLVDYMPHRZ-UHFFFAOYSA-N 0 0 326.824 2.163 10 10 EECERN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N(C)Cc2ccccc2O)C1 ZINC000776246250 577455550 /nfs/dbraw/zinc/45/55/50/577455550.db2.gz HDDCAQFEZNWCNY-UONOGXRCSA-N 0 0 349.431 2.401 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)CCc2cnccn2)c([N+](=O)[O-])c1 ZINC000771258005 577612648 /nfs/dbraw/zinc/61/26/48/577612648.db2.gz ABWRKJHONJEFRD-XQRVVYSFSA-N 0 0 342.355 2.250 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](Cc2ccccn2)C1=O ZINC000761360267 577682632 /nfs/dbraw/zinc/68/26/32/577682632.db2.gz XAUXUNLJRDGCEC-KRWDZBQOSA-N 0 0 338.411 2.119 10 10 EECERN Cc1cn2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc2n1 ZINC000761642515 577687004 /nfs/dbraw/zinc/68/70/04/577687004.db2.gz PHVPCHWCUCTKJF-UHFFFAOYSA-N 0 0 326.356 2.418 10 10 EECERN Cc1cc(C(=O)CN2CC[C@H](NC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000762924375 577711477 /nfs/dbraw/zinc/71/14/77/577711477.db2.gz CRPSRODKESGYPT-HNNXBMFYSA-N 0 0 340.427 2.019 10 10 EECERN O=C(NCc1ccccc1O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000748345840 577959709 /nfs/dbraw/zinc/95/97/09/577959709.db2.gz PLIGSZDPYQFUJU-OAHLLOKOSA-N 0 0 340.379 2.019 10 10 EECERN CCOc1cccnc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000748700263 577965891 /nfs/dbraw/zinc/96/58/91/577965891.db2.gz JXDHIPIRPKKWBI-UHFFFAOYSA-N 0 0 341.411 2.247 10 10 EECERN CC[S@](=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735084684 578133026 /nfs/dbraw/zinc/13/30/26/578133026.db2.gz PBDFARAZKZZFQN-QHCPKHFHSA-N 0 0 339.461 2.443 10 10 EECERN COc1ccc(N(C)CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)cc1F ZINC000255017298 675267577 /nfs/dbraw/zinc/26/75/77/675267577.db2.gz CDYWEUIKFPTWRN-GFCCVEGCSA-N 0 0 346.406 2.499 10 10 EECERN C[C@@H](C(=O)NCc1cc(Br)ccc1O)c1cnn(C)c1 ZINC000804734341 675610294 /nfs/dbraw/zinc/61/02/94/675610294.db2.gz ILABIVUQPACBLV-SECBINFHSA-N 0 0 338.205 2.308 10 10 EECERN C[C@H]1COCC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738767 675611688 /nfs/dbraw/zinc/61/16/88/675611688.db2.gz CXVQHCOJSNCYJV-JOYOIKCWSA-N 0 0 328.206 2.444 10 10 EECERN C[C@@H](NC(=S)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000065222458 677832448 /nfs/dbraw/zinc/83/24/48/677832448.db2.gz PLROXBYCVGRGPI-PBHICJAKSA-N 0 0 349.500 2.227 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000177295996 681232107 /nfs/dbraw/zinc/23/21/07/681232107.db2.gz KFJDCDHHOYNJDX-MRXNPFEDSA-N 0 0 340.427 2.187 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000914388900 683541541 /nfs/dbraw/zinc/54/15/41/683541541.db2.gz IMKVNDACXKUYCK-HKLWWIALSA-N 0 0 347.411 2.203 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)CC(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000029073164 683993474 /nfs/dbraw/zinc/99/34/74/683993474.db2.gz GNPJHRMWNDVIKO-VQHVLOKHSA-N 0 0 349.387 2.132 10 10 EECERN CCO[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1OC ZINC000897394755 688770996 /nfs/dbraw/zinc/77/09/96/688770996.db2.gz WHSPGAGLKTXFAM-UAKXVISKSA-N 0 0 337.397 2.235 10 10 EECERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[S@@](=O)C1 ZINC000897571818 691627589 /nfs/dbraw/zinc/62/75/89/691627589.db2.gz YWBVERCKAVJSJH-PVBMHHQDSA-N 0 0 339.438 2.153 10 10 EECERN O=C(NCCO[C@H]1CC1(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000898715486 693429392 /nfs/dbraw/zinc/42/93/92/693429392.db2.gz YMPBNQFZGBCWAM-LBPRGKRZSA-N 0 0 329.324 2.467 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CNC(=O)c2ccccc21 ZINC001128703986 1194978294 /nfs/dbraw/zinc/97/82/94/1194978294.db2.gz ALDNRNFYIZLHTF-SNVBAGLBSA-N 0 0 342.742 2.342 10 10 EECERN C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(F)c3[O-])cc2)CC1 ZINC001132902217 1200181460 /nfs/dbraw/zinc/18/14/60/1200181460.db2.gz IPQWDAQMHDMNMU-UHFFFAOYSA-N 0 0 343.402 2.213 10 10 EECERN COc1ccc(N2CCN(C(=O)CCCSC)CC2)c(OC)c1 ZINC000870163573 1200528733 /nfs/dbraw/zinc/52/87/33/1200528733.db2.gz AECCSOBDIHBCLM-UHFFFAOYSA-N 0 0 338.473 2.496 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@H]2CCCN2CC(F)(F)F)c1 ZINC000812509422 1200743653 /nfs/dbraw/zinc/74/36/53/1200743653.db2.gz OCAIZXWFVAHOJR-GFCCVEGCSA-N 0 0 332.322 2.044 10 10 EECERN Oc1ccc(Br)cc1CNC(=S)NC1CCOCC1 ZINC000795153043 1201005945 /nfs/dbraw/zinc/00/59/45/1201005945.db2.gz ANSNMJJSULHUMP-UHFFFAOYSA-N 0 0 345.262 2.298 10 10 EECERN O=C(c1ccc2c(c1)nc1n(c2=O)CCC1)N1Cc2cccc(O)c2C1 ZINC000871197984 1201096212 /nfs/dbraw/zinc/09/62/12/1201096212.db2.gz CGALFCOVQDLGEA-UHFFFAOYSA-N 0 0 347.374 2.204 10 10 EECERN COC1(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000866484848 1201529040 /nfs/dbraw/zinc/52/90/40/1201529040.db2.gz GDRNEGVIBBOEQB-UHFFFAOYSA-N 0 0 338.473 2.275 10 10 EECERN COc1ccc(CCS(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000867690194 1201660092 /nfs/dbraw/zinc/66/00/92/1201660092.db2.gz CFIXHNHOIQJKBR-UHFFFAOYSA-N 0 0 333.409 2.289 10 10 EECERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867834071 1201690298 /nfs/dbraw/zinc/69/02/98/1201690298.db2.gz KLZRBEUESJXNCC-LNSITVRQSA-N 0 0 341.429 2.104 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](OC)CC[C@@H]3C)C2)cc1 ZINC000868761255 1201874033 /nfs/dbraw/zinc/87/40/33/1201874033.db2.gz AQKVUHOIGBGURQ-MPGHIAIKSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000868902642 1201902758 /nfs/dbraw/zinc/90/27/58/1201902758.db2.gz FXWYCIATQVEIGI-NOCZFLDPSA-N 0 0 332.400 2.184 10 10 EECERN C[C@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001720093216 1202345750 /nfs/dbraw/zinc/34/57/50/1202345750.db2.gz CHAUPQHNEWOEAY-AAEUAGOBSA-N 0 0 345.403 2.131 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C(\C)C(=O)OC ZINC000925035725 1206063426 /nfs/dbraw/zinc/06/34/26/1206063426.db2.gz SJRHDMAIGMJTAK-SDNWHVSQSA-N 0 0 333.432 2.403 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000925270806 1206089028 /nfs/dbraw/zinc/08/90/28/1206089028.db2.gz PGCIGSSDPIMZJM-YJBOKZPZSA-N 0 0 344.411 2.362 10 10 EECERN Cc1csc(C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N)cc3)C2)n1 ZINC000927933227 1206317840 /nfs/dbraw/zinc/31/78/40/1206317840.db2.gz DHUPRXDNLRCYOG-LBPRGKRZSA-N 0 0 344.440 2.063 10 10 EECERN CN1CCCc2cc(CNC(=O)Cn3cnc4c3CCCC4)ccc21 ZINC000777798818 1206485409 /nfs/dbraw/zinc/48/54/09/1206485409.db2.gz UTFKCIAKFCILRC-UHFFFAOYSA-N 0 0 338.455 2.461 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000931415704 1207373664 /nfs/dbraw/zinc/37/36/64/1207373664.db2.gz NTDAFLWLCYEYSN-AEFFLSMTSA-N 0 0 343.471 2.263 10 10 EECERN CC(C)C1(C(=O)NCc2cc(Br)ccc2O)COC1 ZINC000935958244 1208247616 /nfs/dbraw/zinc/24/76/16/1208247616.db2.gz ADJFBOSPWTVHJW-UHFFFAOYSA-N 0 0 328.206 2.444 10 10 EECERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCCNC1=O ZINC000900512991 1234431514 /nfs/dbraw/zinc/43/15/14/1234431514.db2.gz XXNGLIAMGYBJIA-SNVBAGLBSA-N 0 0 334.397 2.053 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000801542649 1235809747 /nfs/dbraw/zinc/80/97/47/1235809747.db2.gz ZFSLPMIXPPIZDH-HDICACEKSA-N 0 0 326.396 2.334 10 10 EECERN CN(C)c1ccc(CN2C[C@@H]3COC[C@H](C2)O3)c(C(F)(F)F)c1 ZINC000802657253 1237938120 /nfs/dbraw/zinc/93/81/20/1237938120.db2.gz XMPPROIXRRLPQO-OKILXGFUSA-N 0 0 330.350 2.371 10 10 EECERN CCCn1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)nn1 ZINC000902760661 1238459632 /nfs/dbraw/zinc/45/96/32/1238459632.db2.gz JQMMRWZVAVPBKM-HNNXBMFYSA-N 0 0 329.448 2.376 10 10 EECERN C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903280181 1240166072 /nfs/dbraw/zinc/16/60/72/1240166072.db2.gz TVLJZIJNXKIXBA-BONVTDFDSA-N 0 0 349.258 2.043 10 10 EECERN C[C@@H]1CC2(CN1c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CCOCC2 ZINC000826767850 1248067452 /nfs/dbraw/zinc/06/74/52/1248067452.db2.gz UBPZJRBPEQFZQI-LLVKDONJSA-N 0 0 347.371 2.321 10 10 EECERN CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000826828071 1248087652 /nfs/dbraw/zinc/08/76/52/1248087652.db2.gz NFRNLYGVTAWGOW-UHFFFAOYSA-N 0 0 335.828 2.489 10 10 EECERN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cccnc2C)C1 ZINC000827537897 1248413732 /nfs/dbraw/zinc/41/37/32/1248413732.db2.gz PQJMLHWOSMVGML-LPADLIQXSA-N 0 0 335.407 2.497 10 10 EECERN CC[C@H](C)C(=O)N(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001487714298 1286333021 /nfs/dbraw/zinc/33/30/21/1286333021.db2.gz LMJBUAKOWNKDEX-NWDGAFQWSA-N 0 0 347.419 2.472 10 10 EECERN COCC1(CCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852393058 1292104462 /nfs/dbraw/zinc/10/44/62/1292104462.db2.gz RNOIJNHMYWZYIN-HNNXBMFYSA-N 0 0 347.459 2.390 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)n3cccn3)C2)cc1 ZINC000855222857 1293115821 /nfs/dbraw/zinc/11/58/21/1293115821.db2.gz BLEYEURCYZZCOP-LSDHHAIUSA-N 0 0 328.416 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3ccccn3)C2)cc1 ZINC000855224220 1293116793 /nfs/dbraw/zinc/11/67/93/1293116793.db2.gz IVHDBXFWLHYNPJ-MRXNPFEDSA-N 0 0 325.412 2.418 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C3=C(C)C(C)(C)OC3=O)C2)cc1 ZINC000855231032 1293122048 /nfs/dbraw/zinc/12/20/48/1293122048.db2.gz SITTZQVLQSAHRH-ZDUSSCGKSA-N 0 0 344.411 2.042 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C4CC4)n(C)n3)C2)cc1 ZINC000855232662 1293122142 /nfs/dbraw/zinc/12/21/42/1293122142.db2.gz WLOMJYRZBCKOKX-CQSZACIVSA-N 0 0 340.427 2.315 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@]12OCCC[C@H]1C2(F)F ZINC000855783820 1293325658 /nfs/dbraw/zinc/32/56/58/1293325658.db2.gz WGDKSENZQYUWIO-CWNOIDMWSA-N 0 0 325.311 2.042 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000858600154 1294164482 /nfs/dbraw/zinc/16/44/82/1294164482.db2.gz TVRHHEVLBUSZOE-DAYGRLMNSA-N 0 0 345.443 2.141 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858907400 1294258126 /nfs/dbraw/zinc/25/81/26/1294258126.db2.gz NQJNHIRMGRRVJV-CRAIPNDOSA-N 0 0 347.459 2.340 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(CO)C2)ccc1C ZINC000860767944 1295101219 /nfs/dbraw/zinc/10/12/19/1295101219.db2.gz OILRYYUPQFCTTQ-UHFFFAOYSA-N 0 0 326.396 2.279 10 10 EECERN O=C(NC[C@@H]1CCC2(CCOCC2)O1)N1Cc2cccc(O)c2C1 ZINC000927188969 1297059090 /nfs/dbraw/zinc/05/90/90/1297059090.db2.gz XSOHULGBCZDOBG-AWEZNQCLSA-N 0 0 332.400 2.146 10 10 EECERN C[C@H]1CCCN(C(=O)CCNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001123743581 1310687923 /nfs/dbraw/zinc/68/79/23/1310687923.db2.gz ZPMFRWNYRUAATG-ZDUSSCGKSA-N 0 0 331.416 2.066 10 10 EECERN COC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc(C)nc2)c2ccccc2O1 ZINC001124735580 1310943977 /nfs/dbraw/zinc/94/39/77/1310943977.db2.gz WHLKPEUMRDSELZ-IBSYWUHOSA-N 0 0 338.363 2.370 10 10 EECERN Cn1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c[nH]c1=O ZINC001141722626 1315258471 /nfs/dbraw/zinc/25/84/71/1315258471.db2.gz DWXZHVRAOXZPQE-UHFFFAOYSA-N 0 0 334.339 2.088 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000839954752 1315263765 /nfs/dbraw/zinc/26/37/65/1315263765.db2.gz FVBQEKQWETWGIQ-HKUYNNGSSA-N 0 0 343.471 2.171 10 10 EECERN COc1ccccc1OCCN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001141965374 1315403173 /nfs/dbraw/zinc/40/31/73/1315403173.db2.gz IWLQNTBUYRTFBP-UHFFFAOYSA-N 0 0 331.368 2.186 10 10 EECERN CCC1(CC)CN(C(=O)Nc2ccc(N)cc2)CCS1(=O)=O ZINC000841296041 1315524483 /nfs/dbraw/zinc/52/44/83/1315524483.db2.gz NVMRJMZXCAKQKO-UHFFFAOYSA-N 0 0 325.434 2.090 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCn2ncnc21 ZINC001142419460 1315600983 /nfs/dbraw/zinc/60/09/83/1315600983.db2.gz RXZUCWPBQLORJA-YOEHRIQHSA-N 0 0 341.459 2.277 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000842518676 1315719701 /nfs/dbraw/zinc/71/97/01/1315719701.db2.gz SZGRUQPBIHWDPY-BRWVUGGUSA-N 0 0 343.471 2.406 10 10 EECERN CCc1nnc(N2CCOC[C@@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001293168780 1328625331 /nfs/dbraw/zinc/62/53/31/1328625331.db2.gz YSAKDQWEPGXNSR-HNNXBMFYSA-N 0 0 343.475 2.488 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC001152814390 1316727735 /nfs/dbraw/zinc/72/77/35/1316727735.db2.gz CMUIIERBIZRVDL-ZDUSSCGKSA-N 0 0 342.399 2.042 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)c1ccc(-n2ccnc2)nn1 ZINC001157041334 1318361950 /nfs/dbraw/zinc/36/19/50/1318361950.db2.gz DRVGDADBPMCXIV-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN COC(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001162574863 1320901853 /nfs/dbraw/zinc/90/18/53/1320901853.db2.gz OLBHRUITGODYOU-XVNBXDOJSA-N 0 0 339.347 2.487 10 10 EECERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc2cccnc2c1O ZINC001299722123 1321989213 /nfs/dbraw/zinc/98/92/13/1321989213.db2.gz ZMPKTVAJRQJFIW-UHFFFAOYSA-N 0 0 338.323 2.482 10 10 EECERN C[C@@H](NC(=O)N1CC[C@]12CCOC2)c1ccc(N2CCOCC2)cc1 ZINC001261392556 1322087946 /nfs/dbraw/zinc/08/79/46/1322087946.db2.gz IILCSAWXFQVRSP-DNVCBOLYSA-N 0 0 345.443 2.159 10 10 EECERN CC[C@H](C)C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284201730 1326458251 /nfs/dbraw/zinc/45/82/51/1326458251.db2.gz PFWSFTKIMLIHAM-QWRGUYRKSA-N 0 0 333.392 2.130 10 10 EECERN CC(C)NC(=O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001288235121 1327682667 /nfs/dbraw/zinc/68/26/67/1327682667.db2.gz LNMBCIHOBRBPAZ-UHFFFAOYSA-N 0 0 343.431 2.022 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001290373953 1328187517 /nfs/dbraw/zinc/18/75/17/1328187517.db2.gz FMYRQLUFOHYMMD-MRXNPFEDSA-N 0 0 348.468 2.194 10 10 EECERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2n[nH]cc2F)cc1 ZINC001292381486 1328389453 /nfs/dbraw/zinc/38/94/53/1328389453.db2.gz DPJAUCZRFQDMSE-OAHLLOKOSA-N 0 0 346.406 2.436 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCc1ccn(-c2ccccc2)n1 ZINC001292582280 1328442263 /nfs/dbraw/zinc/44/22/63/1328442263.db2.gz XQBWNRUYPCSFQA-UHFFFAOYSA-N 0 0 337.379 2.185 10 10 EECERN C[C@H](CNC(=O)CC1CC1)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001297712295 1329997289 /nfs/dbraw/zinc/99/72/89/1329997289.db2.gz XKOBRRUXVNXBIU-LLVKDONJSA-N 0 0 345.403 2.131 10 10 EECERN O=C(NCc1cnn(-c2ccccc2)c1)c1c(F)ccc(O)c1O ZINC001608513523 1351707880 /nfs/dbraw/zinc/70/78/80/1351707880.db2.gz ZWUVVVALDUCEKJ-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001303226149 1331350497 /nfs/dbraw/zinc/35/04/97/1331350497.db2.gz YDTSJADHBAAPBJ-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN COCCOc1ccccc1CNC(=O)c1c(F)ccc(O)c1O ZINC001306423633 1331470497 /nfs/dbraw/zinc/47/04/97/1331470497.db2.gz ZGXRKIBFVLQQCI-UHFFFAOYSA-N 0 0 335.331 2.192 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001324135128 1333616244 /nfs/dbraw/zinc/61/62/44/1333616244.db2.gz ADHPGQJJCZNCMW-QLPKVWCKSA-N 0 0 330.428 2.436 10 10 EECERN CN1CCCc2cc(CNC(=O)N3C[C@@H]4COC[C@@]4(C)C3)ccc21 ZINC001328024178 1334380430 /nfs/dbraw/zinc/38/04/30/1334380430.db2.gz NMFMZSTUNZIXIF-VQIMIIECSA-N 0 0 329.444 2.247 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@@H](C[C@H]2CCOC2)C(=O)[O-])cc1F ZINC001329682586 1334696167 /nfs/dbraw/zinc/69/61/67/1334696167.db2.gz QYJMXOSYQZEDAA-YGRLFVJLSA-N 0 0 328.359 2.000 10 10 EECERN O=C(NCc1c(O)cccc1F)Nc1cnn(C[C@H]2CCCO2)c1 ZINC001333422281 1336043095 /nfs/dbraw/zinc/04/30/95/1336043095.db2.gz IIYIBRINAFXDHL-GFCCVEGCSA-N 0 0 334.351 2.229 10 10 EECERN O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1c(F)ccc(O)c1O ZINC000848391280 1338696340 /nfs/dbraw/zinc/69/63/40/1338696340.db2.gz BTVZLOOJPHWXNM-XCBNKYQSSA-N 0 0 337.269 2.467 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@@H]1CSC(c2ccccc2)=N1 ZINC001593744238 1349872126 /nfs/dbraw/zinc/87/21/26/1349872126.db2.gz LOESEUXYSRDKTP-ZDUSSCGKSA-N 0 0 328.393 2.276 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)NCc1nc2ccccc2c(=O)[nH]1 ZINC001625551427 1352451631 /nfs/dbraw/zinc/45/16/31/1352451631.db2.gz TWIMOMQKQMNSSI-VURMDHGXSA-N 0 0 337.335 2.076 10 10 EECERN COc1cccc(CNC(=O)c2csc(-c3ncc[nH]3)n2)c1O ZINC001636060976 1352657307 /nfs/dbraw/zinc/65/73/07/1352657307.db2.gz AJJVINMMBVYDPR-UHFFFAOYSA-N 0 0 330.369 2.177 10 10 EECERN COc1ccc([C@H]2COCCN2C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001636437006 1352663684 /nfs/dbraw/zinc/66/36/84/1352663684.db2.gz VRDSRLIVYJEDPU-MRXNPFEDSA-N 0 0 343.379 2.249 10 10 EECERN Nc1ncnc2cc(C(=O)NCc3ccc4cccnc4c3O)ccc12 ZINC001643284380 1352745114 /nfs/dbraw/zinc/74/51/14/1352745114.db2.gz CGGMXPWJMCTHBV-UHFFFAOYSA-N 0 0 345.362 2.396 10 10 EECERN CS(=O)(=O)CC1(CC(=O)NCc2c(O)ccc3ccccc32)CC1 ZINC001647791631 1353402074 /nfs/dbraw/zinc/40/20/74/1353402074.db2.gz SDMDIJHGVCZCSK-UHFFFAOYSA-N 0 0 347.436 2.377 10 10 EECERN COC(OC)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001684869520 1358288576 /nfs/dbraw/zinc/28/85/76/1358288576.db2.gz PJLBGAWDYZAFHQ-AWEZNQCLSA-N 0 0 335.448 2.436 10 10 EECERN Cc1nc([C@@H]2CCN(C(=O)NCc3ccc(N(C)C)cc3C)C2)no1 ZINC000919068679 769567452 /nfs/dbraw/zinc/56/74/52/769567452.db2.gz ALXUQIDUAYGFCK-OAHLLOKOSA-N 0 0 343.431 2.452 10 10 EECERN COc1ccc(CNC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC000846949487 790767675 /nfs/dbraw/zinc/76/76/75/790767675.db2.gz HYVNKZQUUAQPFE-OAHLLOKOSA-N 0 0 335.400 2.385 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@H]2CC(c3ccccn3)=NO2)cc1F ZINC000906453615 783924209 /nfs/dbraw/zinc/92/42/09/783924209.db2.gz JZQYAIXDXIAEGW-QGZVFWFLSA-N 0 0 342.374 2.096 10 10 EECERN COC(=O)c1cc(NC(=O)C2=CC(=O)CS2)cc(C(=O)OC)c1 ZINC001135818283 784516766 /nfs/dbraw/zinc/51/67/66/784516766.db2.gz NNESJIMGYQLKJP-UHFFFAOYSA-N 0 0 335.337 2.279 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3nc(C)ns3)C2)cc1 ZINC000818091833 785180502 /nfs/dbraw/zinc/18/05/02/785180502.db2.gz OYPYJBIYYPKJGY-GFCCVEGCSA-N 0 0 332.429 2.111 10 10 EECERN C[C@H](NC(=O)c1cc2c(cn1)OCCO2)c1ccc(N(C)C)cc1 ZINC000819502855 785569346 /nfs/dbraw/zinc/56/93/46/785569346.db2.gz ZJTRIZWXAWBRFT-LBPRGKRZSA-N 0 0 327.384 2.410 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)[C@H]3CCCO3)C2)cc1 ZINC000911277907 787348521 /nfs/dbraw/zinc/34/85/21/787348521.db2.gz YATCZZLWVWVKMN-IIDMSEBBSA-N 0 0 332.444 2.453 10 10 EECERN Cc1cc(CC(=O)NC[C@@H]2COCCO2)c(C)n1-c1ccccc1 ZINC000822899130 787450070 /nfs/dbraw/zinc/45/00/70/787450070.db2.gz XFBLKXCQOHDEST-GOSISDBHSA-N 0 0 328.412 2.168 10 10 EECERN CNc1nc(C)ccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000912292091 788090001 /nfs/dbraw/zinc/09/00/01/788090001.db2.gz JFAKBCXFKPRIJO-CQSZACIVSA-N 0 0 340.427 2.449 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3c(C)cnn3C)C2)cc1 ZINC000824421120 788180093 /nfs/dbraw/zinc/18/00/93/788180093.db2.gz BEVHKSBCOVYFQM-CYBMUJFWSA-N 0 0 329.404 2.138 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(CO)(CO)C1 ZINC000912555733 788243292 /nfs/dbraw/zinc/24/32/92/788243292.db2.gz HLEFPPIUJRUWMI-UHFFFAOYSA-N 0 0 342.439 2.219 10 10 EECERN CS[C@H](C)C(=O)NCc1cc(NC(=O)[C@H](C)SC)ccc1O ZINC000923126139 788900484 /nfs/dbraw/zinc/90/04/84/788900484.db2.gz HKYULRNODRFODC-ZJUUUORDSA-N 0 0 342.486 2.450 10 10 EECERN COc1ccc(N(C)CCN(C)CN2Cc3cccnc3C2=O)cc1 ZINC000844726773 789330966 /nfs/dbraw/zinc/33/09/66/789330966.db2.gz WKNUCSLXEOKSLL-UHFFFAOYSA-N 0 0 340.427 2.072 10 10 EECERN COC(=O)c1coc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC000844857128 789404540 /nfs/dbraw/zinc/40/45/40/789404540.db2.gz XIHPGNXPXOQXEJ-UHFFFAOYSA-N 0 0 346.383 2.283 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCC(C3(O)CC3)CC2)cc1F ZINC000844936251 789471451 /nfs/dbraw/zinc/47/14/51/789471451.db2.gz VZRFBLPEFHNEDP-UHFFFAOYSA-N 0 0 335.423 2.338 10 10 EECERN CCOc1cccc(CN2CCn3c(CC4CC4)nnc3C2)c1O ZINC000846014686 790022613 /nfs/dbraw/zinc/02/26/13/790022613.db2.gz UBZROBATFRVRNZ-UHFFFAOYSA-N 0 0 328.416 2.351 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)COc2ccc(O)cc2)cc1 ZINC000846446445 790172470 /nfs/dbraw/zinc/17/24/70/790172470.db2.gz KYOPBWIELRQKNH-UHFFFAOYSA-N 0 0 344.411 2.374 10 10 EECERN CCON(C)C(=O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000846501229 790203966 /nfs/dbraw/zinc/20/39/66/790203966.db2.gz MLUYUUBOVKYTSS-UHFFFAOYSA-N 0 0 329.400 2.234 10 10 EECERN CCc1nn(C)c(CC)c1CNC(=O)NCc1c(O)cccc1F ZINC000921640943 790251105 /nfs/dbraw/zinc/25/11/05/790251105.db2.gz JISAZBXMKDAQSL-UHFFFAOYSA-N 0 0 334.395 2.389 10 10 EECERN COC(=O)[C@@H](CNC(=O)NCc1ccccc1O)Cc1ccccc1 ZINC000915517019 796297690 /nfs/dbraw/zinc/29/76/90/796297690.db2.gz DQGVIAHBDHEZOK-MRXNPFEDSA-N 0 0 342.395 2.223 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C(OC)OC)cc1F ZINC000917617342 798297579 /nfs/dbraw/zinc/29/75/79/798297579.db2.gz ZQUODJCJRCVGSQ-GFCCVEGCSA-N 0 0 341.427 2.479 10 10 EECERN CN1C(=O)c2ccc(C(=O)NCc3cccc(Cl)c3O)cc2C1=O ZINC001180410384 800419934 /nfs/dbraw/zinc/41/99/34/800419934.db2.gz PDMYMOSIPUXYGT-UHFFFAOYSA-N 0 0 344.754 2.201 10 10 EECERN O=C(NCc1cc(Br)ccc1O)Nc1cnns1 ZINC000806443045 811868684 /nfs/dbraw/zinc/86/86/84/811868684.db2.gz RUCRHCMDVBBLDQ-UHFFFAOYSA-N 0 0 329.179 2.328 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C1CN(CC(F)(F)F)C1 ZINC000806870991 812014205 /nfs/dbraw/zinc/01/42/05/812014205.db2.gz WFYHSIJWDAQJRR-UHFFFAOYSA-N 0 0 329.366 2.171 10 10 EECERN COC(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)on1 ZINC001440714005 1093958997 /nfs/dbraw/zinc/95/89/97/1093958997.db2.gz KKMQIRBCKIFIQC-UHFFFAOYSA-N 0 0 343.383 2.334 10 10 EECERN O=C(N[C@@H]1CCC2(C1)OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC001446894865 1101568585 /nfs/dbraw/zinc/56/85/85/1101568585.db2.gz TUEGEQCMJZJHKA-SNVBAGLBSA-N 0 0 335.381 2.338 10 10 EECERN COCCCCCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494513025 1104103938 /nfs/dbraw/zinc/10/39/38/1104103938.db2.gz DCIUMOJRVXYWAF-UHFFFAOYSA-N 0 0 347.419 2.080 10 10 EECERN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001464353526 1110392233 /nfs/dbraw/zinc/39/22/33/1110392233.db2.gz ZYLPZSZTNDQSFS-JCGIZDLHSA-N 0 0 332.444 2.405 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001465297474 1110415181 /nfs/dbraw/zinc/41/51/81/1110415181.db2.gz AAJKOYJBDNNGTP-OAHLLOKOSA-N 0 0 329.352 2.447 10 10 EECERN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(F)ccc(O)c1O ZINC001472536294 1110558458 /nfs/dbraw/zinc/55/84/58/1110558458.db2.gz ACLKLIFBUSMUIZ-UHFFFAOYSA-N 0 0 336.275 2.084 10 10 EECERN CC(=O)NCC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001521964144 1119291581 /nfs/dbraw/zinc/29/15/81/1119291581.db2.gz BOJWTHULLSDFGG-BXUZGUMPSA-N 0 0 345.403 2.083 10 10 EECERN COC(=O)Cc1occc1C(=O)Nc1c2nonc2ccc1Cl ZINC001525081595 1120264611 /nfs/dbraw/zinc/26/46/11/1120264611.db2.gz SKOIGZPBEWBRGJ-UHFFFAOYSA-N 0 0 335.703 2.437 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2cccc(Cl)n2)c1 ZINC001527851975 1120899923 /nfs/dbraw/zinc/89/99/23/1120899923.db2.gz YLRQJROERFYYPD-SREVYHEPSA-N 0 0 330.775 2.166 10 10 EECERN NC(=O)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001540678152 1124089853 /nfs/dbraw/zinc/08/98/53/1124089853.db2.gz HGFCNMOQDXBEFE-OAHLLOKOSA-N 0 0 342.376 2.269 10 10 EECERN COC(=O)CN(C(=O)/C=C(\C)c1cnccn1)c1cccc(F)c1 ZINC001542604006 1124114721 /nfs/dbraw/zinc/11/47/21/1124114721.db2.gz MSXVEXCZABEVQF-XYOKQWHBSA-N 0 0 329.331 2.225 10 10 EECERN C[C@@H]1CC(=O)Nc2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2N1 ZINC001545639654 1124200103 /nfs/dbraw/zinc/20/01/03/1124200103.db2.gz YAYRKYBPVDNIBX-SNVBAGLBSA-N 0 0 341.367 2.170 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001568137482 1124323307 /nfs/dbraw/zinc/32/33/07/1124323307.db2.gz TZBMPQBSXOAKJL-CVEARBPZSA-N 0 0 335.400 2.242 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC(C)C)NC(C)=O ZINC001568738086 1124752516 /nfs/dbraw/zinc/75/25/16/1124752516.db2.gz ZVUNANNDUOZPGS-ZDUSSCGKSA-N 0 0 327.421 2.045 10 10 EECERN Cc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000021024316 202061099 /nfs/dbraw/zinc/06/10/99/202061099.db2.gz BTDVPWTXRZZFLH-UHFFFAOYSA-N 0 0 338.323 2.383 10 10 EECERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000071792532 203113471 /nfs/dbraw/zinc/11/34/71/203113471.db2.gz LMJMXNLTDXSKMO-UHFFFAOYSA-N 0 0 342.399 2.450 10 10 EECERN COCCN1CCCN(Cc2cc(Cl)cc(C)c2O)CC1=O ZINC000191695615 533342382 /nfs/dbraw/zinc/34/23/82/533342382.db2.gz DXIDOOLFIIEWCR-UHFFFAOYSA-N 0 0 326.824 2.035 10 10 EECERN C[C@@H]1COCC[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277506748 463918860 /nfs/dbraw/zinc/91/88/60/463918860.db2.gz ROHZSERBGXNTJI-SKDRFNHKSA-N 0 0 343.221 2.379 10 10 EECERN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCC1 ZINC000179325934 464106112 /nfs/dbraw/zinc/10/61/12/464106112.db2.gz OLBNNRSTEWTFTK-SNVBAGLBSA-N 0 0 326.418 2.072 10 10 EECERN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187794524 464162664 /nfs/dbraw/zinc/16/26/64/464162664.db2.gz BRPDGXBWVAHXAC-UWVGGRQHSA-N 0 0 338.358 2.074 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000272296616 464553192 /nfs/dbraw/zinc/55/31/92/464553192.db2.gz HXPXMLNDEMEKPT-UONOGXRCSA-N 0 0 341.363 2.289 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177346247 464991080 /nfs/dbraw/zinc/99/10/80/464991080.db2.gz NVPZDRMJZGAIMT-HNNXBMFYSA-N 0 0 328.420 2.021 10 10 EECERN Cc1cc(CCNC(=O)[C@H]2CCC(=O)N2)c(C)n1-c1ccccc1 ZINC000729836677 576684160 /nfs/dbraw/zinc/68/41/60/576684160.db2.gz LEGHSJMOQOCZKO-QGZVFWFLSA-N 0 0 325.412 2.031 10 10 EECERN O=C(CCC(=O)N1CCOc2ccccc21)NCc1ccccc1O ZINC000730281133 577015638 /nfs/dbraw/zinc/01/56/38/577015638.db2.gz CCCBXDCAOCUPFU-UHFFFAOYSA-N 0 0 340.379 2.214 10 10 EECERN Cc1nnccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000776493470 577460855 /nfs/dbraw/zinc/46/08/55/577460855.db2.gz GHBSQELKJZDVME-UHFFFAOYSA-N 0 0 345.378 2.082 10 10 EECERN CC1(C)CC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)O1 ZINC000777465941 577479358 /nfs/dbraw/zinc/47/93/58/577479358.db2.gz KOICPVXRRSXAIO-QGZVFWFLSA-N 0 0 347.459 2.280 10 10 EECERN O=C(NCC[C@@H]1COc2ccccc2O1)NCc1ccccc1O ZINC000765902051 577508875 /nfs/dbraw/zinc/50/88/75/577508875.db2.gz HLXLFQIXKIXPBK-CQSZACIVSA-N 0 0 328.368 2.422 10 10 EECERN C[C@H]1COCC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000768302160 577553474 /nfs/dbraw/zinc/55/34/74/577553474.db2.gz JWORODAQVYNDPH-ONGXEEELSA-N 0 0 328.206 2.444 10 10 EECERN Cn1cc(-c2cc(COC(=O)/C=C\c3ccc(O)c(O)c3)on2)cn1 ZINC000769114662 577570089 /nfs/dbraw/zinc/57/00/89/577570089.db2.gz ILHJQCACVLXKAL-HYXAFXHYSA-N 0 0 341.323 2.243 10 10 EECERN CC(C)OC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761893100 577691138 /nfs/dbraw/zinc/69/11/38/577691138.db2.gz CJAJRMUCZOTRAC-UHFFFAOYSA-N 0 0 335.360 2.320 10 10 EECERN Cc1cnc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000763244735 577717743 /nfs/dbraw/zinc/71/77/43/577717743.db2.gz SRFJODUJMVOSQW-UHFFFAOYSA-N 0 0 345.374 2.001 10 10 EECERN COc1ccc(O)c([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000756780296 577850108 /nfs/dbraw/zinc/85/01/08/577850108.db2.gz QQHBBLDGWYTLIT-LBPRGKRZSA-N 0 0 327.446 2.266 10 10 EECERN COc1ccc([C@H](CC(=O)NCc2ccccc2O)NC(C)=O)cc1 ZINC000748349355 577959942 /nfs/dbraw/zinc/95/99/42/577959942.db2.gz FKCAYWGZPZLBKH-KRWDZBQOSA-N 0 0 342.395 2.285 10 10 EECERN Cc1cc(CCNC(=O)NCC[S@@](C)=O)c(C)n1-c1ccccc1 ZINC000735102166 578134555 /nfs/dbraw/zinc/13/45/55/578134555.db2.gz JBTQWLHISZMROY-XMMPIXPASA-N 0 0 347.484 2.314 10 10 EECERN CCOC(=O)C[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000160246228 674979435 /nfs/dbraw/zinc/97/94/35/674979435.db2.gz VLWMIPYJGCVPDF-LLVKDONJSA-N 0 0 329.356 2.322 10 10 EECERN Nc1nc(NCc2cc(Br)ccc2O)ncc1[N+](=O)[O-] ZINC000804828184 675650736 /nfs/dbraw/zinc/65/07/36/675650736.db2.gz KLSMBTLLGLJJAX-UHFFFAOYSA-N 0 0 340.137 2.047 10 10 EECERN CCOC(=O)[C@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC000780949709 1187174835 /nfs/dbraw/zinc/17/48/35/1187174835.db2.gz FRSDCPBUWNJBBE-OAHLLOKOSA-N 0 0 343.379 2.483 10 10 EECERN C[NH+]1CCC(n2cc(NCc3cc([N+](=O)[O-])ccc3[O-])cn2)CC1 ZINC000865704416 1198338185 /nfs/dbraw/zinc/33/81/85/1198338185.db2.gz UVMJJPKWFMDKPP-UHFFFAOYSA-N 0 0 331.376 2.376 10 10 EECERN NC(=O)N[C@@H](CC(=O)N1Cc2cccc(O)c2C1)c1cccs1 ZINC000871198298 1201096253 /nfs/dbraw/zinc/09/62/53/1201096253.db2.gz GJMFKGZWEBDXQB-LBPRGKRZSA-N 0 0 331.397 2.096 10 10 EECERN O=C(N1Cc2cccc(O)c2C1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000871202468 1201098703 /nfs/dbraw/zinc/09/87/03/1201098703.db2.gz IDTNJDMSODZOIK-UHFFFAOYSA-N 0 0 343.404 2.241 10 10 EECERN CON(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000871244551 1201120112 /nfs/dbraw/zinc/12/01/12/1201120112.db2.gz FAFLUYYEGVUIDE-DVBBHNHCSA-N 0 0 337.372 2.231 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)c2c[nH]c(=O)s2)cc1 ZINC000866538152 1201544035 /nfs/dbraw/zinc/54/40/35/1201544035.db2.gz OBNRUWSHNKCNPD-UHFFFAOYSA-N 0 0 341.458 2.173 10 10 EECERN COC1(CS(=O)(=O)NCc2ccc(N(C)C)cc2C)CCCC1 ZINC000866798333 1201608505 /nfs/dbraw/zinc/60/85/05/1201608505.db2.gz YMIBMOCIYRTPLH-UHFFFAOYSA-N 0 0 340.489 2.440 10 10 EECERN Cc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1N(C)C ZINC000867690199 1201660195 /nfs/dbraw/zinc/66/01/95/1201660195.db2.gz CKNBAOYOERRBDZ-UHFFFAOYSA-N 0 0 332.425 2.471 10 10 EECERN C[C@H](NC(=O)c1ccc(CN2CCOCC2)o1)c1ccccc1O ZINC000881441221 1201700310 /nfs/dbraw/zinc/70/03/10/1201700310.db2.gz UIJFBJVXIRAXCA-ZDUSSCGKSA-N 0 0 330.384 2.308 10 10 EECERN CCn1nc(C)c([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000926723446 1206239794 /nfs/dbraw/zinc/23/97/94/1206239794.db2.gz FLIWYFZUNJRIES-CQSZACIVSA-N 0 0 343.475 2.418 10 10 EECERN CC(=O)N(CCc1ccccc1)CC(=O)NCc1c(O)cccc1F ZINC000928706267 1206413423 /nfs/dbraw/zinc/41/34/23/1206413423.db2.gz UAJJUGVZJQAEJE-UHFFFAOYSA-N 0 0 344.386 2.239 10 10 EECERN CCC1(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)COC1 ZINC000929537568 1206484495 /nfs/dbraw/zinc/48/44/95/1206484495.db2.gz PSMYXYZJRAUPKI-UHFFFAOYSA-N 0 0 332.444 2.298 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)N2CCCOc3ccccc32)c1 ZINC000779455261 1210380155 /nfs/dbraw/zinc/38/01/55/1210380155.db2.gz HMYNQJMBZPPNEG-FPLPWBNLSA-N 0 0 337.379 2.270 10 10 EECERN COCCOc1ncccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779513457 1210403328 /nfs/dbraw/zinc/40/33/28/1210403328.db2.gz HXBXWSDCCQQMJP-FNORWQNLSA-N 0 0 330.340 2.170 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000779535447 1210441352 /nfs/dbraw/zinc/44/13/52/1210441352.db2.gz XGJPVDDQGWZVNJ-YEODSOHDSA-N 0 0 341.363 2.417 10 10 EECERN C[C@H](NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1ccc(N2CCOCC2)cc1 ZINC000779872613 1211609143 /nfs/dbraw/zinc/60/91/43/1211609143.db2.gz CTMPCFCPRJCCEL-RUGDWHBFSA-N 0 0 330.428 2.125 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCSCCCO ZINC000305108517 1216146464 /nfs/dbraw/zinc/14/64/64/1216146464.db2.gz FZLXYRCHJJLDRH-UHFFFAOYSA-N 0 0 333.413 2.096 10 10 EECERN [O-]c1ccc(Cl)c(F)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827700405 1248654998 /nfs/dbraw/zinc/65/49/98/1248654998.db2.gz RZJYLEWXGVNDCJ-GFCCVEGCSA-N 0 0 328.815 2.216 10 10 EECERN Cc1cc(C(=O)NCCNC(N)=O)c(C)n1-c1cccc(Cl)c1 ZINC000118657047 1229363766 /nfs/dbraw/zinc/36/37/66/1229363766.db2.gz RTGNDSHAWZSHKB-UHFFFAOYSA-N 0 0 334.807 2.146 10 10 EECERN COc1ccccc1[C@H](O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000900432194 1234349284 /nfs/dbraw/zinc/34/92/84/1234349284.db2.gz CHKIEWMUYVDXLB-IBGZPJMESA-N 0 0 340.423 2.427 10 10 EECERN CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000900755467 1234762991 /nfs/dbraw/zinc/76/29/91/1234762991.db2.gz OOTOGGKLRFUFLR-HMECNJMJSA-N 0 0 346.471 2.229 10 10 EECERN CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000801736162 1236110697 /nfs/dbraw/zinc/11/06/97/1236110697.db2.gz XTPLDESBNCYGJT-NSHDSACASA-N 0 0 327.222 2.302 10 10 EECERN C[C@@]12COC[C@@H]1CN(C(=O)c1csc(Cc3ccc(N)cc3)n1)C2 ZINC000851645586 1277699472 /nfs/dbraw/zinc/69/94/72/1277699472.db2.gz KTQQEUUBXYYBGA-SCLBCKFNSA-N 0 0 343.452 2.425 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cnn3ccccc23)c1 ZINC001545684284 1290520083 /nfs/dbraw/zinc/52/00/83/1290520083.db2.gz QSSJQNMTWMBZOC-GFCCVEGCSA-N 0 0 325.368 2.468 10 10 EECERN COC[C@H](CCNC(=O)NCc1ccc(N2CCCC2)cc1)OC ZINC000851986693 1291943389 /nfs/dbraw/zinc/94/33/89/1291943389.db2.gz FFKZLAXQNKYTSA-KRWDZBQOSA-N 0 0 335.448 2.138 10 10 EECERN COCC[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852380861 1292102417 /nfs/dbraw/zinc/10/24/17/1292102417.db2.gz SGKXUBOVUMMXDW-HUUCEWRRSA-N 0 0 335.448 2.246 10 10 EECERN Cc1nn(C2CCOCC2)c(C)c1C(=O)NCCc1ccc(N)cc1 ZINC000852796530 1292200573 /nfs/dbraw/zinc/20/05/73/1292200573.db2.gz DTYWYMMFYJXNOC-UHFFFAOYSA-N 0 0 342.443 2.406 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@]34C[C@@H]3COC4(C)C)CC2)cc1 ZINC000854198289 1292667389 /nfs/dbraw/zinc/66/73/89/1292667389.db2.gz GUJPPQQAJXCWIH-AUUYWEPGSA-N 0 0 330.428 2.159 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC34CCOCC4)C2)cc1 ZINC000854295767 1292706219 /nfs/dbraw/zinc/70/62/19/1292706219.db2.gz BTSJYFPVXAPJTO-HNNXBMFYSA-N 0 0 345.443 2.238 10 10 EECERN CC[C@]1(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000854299139 1292710038 /nfs/dbraw/zinc/71/00/38/1292710038.db2.gz MFHUSRVHIFSCDP-KSSFIOAISA-N 0 0 333.432 2.142 10 10 EECERN Cc1cc(CC(=O)N2CCO[C@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1 ZINC000854950591 1292998875 /nfs/dbraw/zinc/99/88/75/1292998875.db2.gz LMVUXZKWWHKKLP-APWZRJJASA-N 0 0 342.439 2.245 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)cc1 ZINC000855224365 1293116887 /nfs/dbraw/zinc/11/68/87/1293116887.db2.gz KCAZMBHHYJZDTC-CYBMUJFWSA-N 0 0 328.416 2.091 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc4n(n3)CCCC4)C2)cc1 ZINC000855226289 1293118308 /nfs/dbraw/zinc/11/83/08/1293118308.db2.gz QZIBYCZKAJEBOB-CQSZACIVSA-N 0 0 340.427 2.237 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CC3CCN(OC)CC3)C2)cc1 ZINC000855226751 1293118950 /nfs/dbraw/zinc/11/89/50/1293118950.db2.gz TXZHCPGPQYHQJL-INIZCTEOSA-N 0 0 347.459 2.054 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cn4ccccc4n3)C2)cc1 ZINC000855230119 1293120703 /nfs/dbraw/zinc/12/07/03/1293120703.db2.gz SRRCCBIZWWTJRJ-AWEZNQCLSA-N 0 0 336.395 2.352 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCCn3ccnc3)C2)cc1 ZINC000855229922 1293120969 /nfs/dbraw/zinc/12/09/69/1293120969.db2.gz CWJSRYDOVWJXRZ-OAHLLOKOSA-N 0 0 328.416 2.067 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3C3CC3)C2)cc1 ZINC000855229377 1293121196 /nfs/dbraw/zinc/12/11/96/1293121196.db2.gz JMGLJOMQWNNDGQ-AWEZNQCLSA-N 0 0 340.427 2.315 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCn3nc(C)cc3C)C2)cc1 ZINC000855231837 1293121826 /nfs/dbraw/zinc/12/18/26/1293121826.db2.gz MOPAQOXRXTUTPZ-INIZCTEOSA-N 0 0 342.443 2.294 10 10 EECERN CO[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856209570 1293445160 /nfs/dbraw/zinc/44/51/60/1293445160.db2.gz SMMKRYJQWIUGIH-MAUKXSAKSA-N 0 0 332.444 2.079 10 10 EECERN CC(C)(C)C[C@@H](O)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856216503 1293448842 /nfs/dbraw/zinc/44/88/42/1293448842.db2.gz WPSOEJKJQSVKBB-SFHVURJKSA-N 0 0 348.487 2.451 10 10 EECERN CCOC(=O)CN(Cc1cn(C)nc1Cl)Cc1ccccc1O ZINC000857049717 1293707392 /nfs/dbraw/zinc/70/73/92/1293707392.db2.gz QQRQIUKHHJNCGQ-UHFFFAOYSA-N 0 0 337.807 2.344 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](CO)C[C@H]3C)C2)cc1 ZINC000858600079 1294164658 /nfs/dbraw/zinc/16/46/58/1294164658.db2.gz SQKXWRRJUXFYHN-BZUAXINKSA-N 0 0 347.459 2.076 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000860243382 1294890512 /nfs/dbraw/zinc/89/05/12/1294890512.db2.gz LLNVNRQAXPJSEH-ZDUSSCGKSA-N 0 0 348.399 2.328 10 10 EECERN Cc1ccc(O)c(CNC(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)c1 ZINC000862024860 1295659555 /nfs/dbraw/zinc/65/95/55/1295659555.db2.gz DFHOTVTUXKOUDD-GFCCVEGCSA-N 0 0 342.399 2.123 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@H]1CCC2(CCOCC2)O1 ZINC000927188891 1297059279 /nfs/dbraw/zinc/05/92/79/1297059279.db2.gz HKDYLYCLBVFDHV-GFCCVEGCSA-N 0 0 338.379 2.059 10 10 EECERN C[C@H]1[C@H](NC(=O)C2=CC(=O)CS2)CC(=O)N1Cc1ccccc1 ZINC000799200044 1305185789 /nfs/dbraw/zinc/18/57/89/1305185789.db2.gz WVVJDGDFYNDDRA-SMDDNHRTSA-N 0 0 330.409 2.373 10 10 EECERN Cc1cc(Br)c(O)c(CN2CCOC[C@@]23CCOC3)c1 ZINC000799737871 1305402160 /nfs/dbraw/zinc/40/21/60/1305402160.db2.gz PDHDTKKEIBLFFZ-HNNXBMFYSA-N 0 0 342.233 2.454 10 10 EECERN CCOC[C@H](C)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001117622867 1306131221 /nfs/dbraw/zinc/13/12/21/1306131221.db2.gz KGHQZOMOTCUFNR-HNNXBMFYSA-N 0 0 349.475 2.031 10 10 EECERN CN(C)c1ccc(CNC(=O)Cc2ccc(-n3cnnc3)cc2)cc1 ZINC001124552468 1310915458 /nfs/dbraw/zinc/91/54/58/1310915458.db2.gz HTEMTIUABLSFJJ-UHFFFAOYSA-N 0 0 335.411 2.192 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(COCCO)cc1 ZINC001299713414 1319994410 /nfs/dbraw/zinc/99/44/10/1319994410.db2.gz VBCASYOCMSVOBS-XBXARRHUSA-N 0 0 329.352 2.259 10 10 EECERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917134 1315259258 /nfs/dbraw/zinc/25/92/58/1315259258.db2.gz ACJZZSKJUCXGHP-CXAGYDPISA-N 0 0 349.500 2.030 10 10 EECERN CCn1nnc(C)c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921067 1315259566 /nfs/dbraw/zinc/25/95/66/1315259566.db2.gz GXSUXFDORPTMNO-ZDUSSCGKSA-N 0 0 329.448 2.342 10 10 EECERN Cc1ccc(C2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)cn1 ZINC000841087267 1315471480 /nfs/dbraw/zinc/47/14/80/1315471480.db2.gz SOPJDQLFXBAHGG-UHFFFAOYSA-N 0 0 338.411 2.317 10 10 EECERN COC(=O)c1cccc2c1CN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000842637254 1315740357 /nfs/dbraw/zinc/74/03/57/1315740357.db2.gz VFCFGLUADOGEKI-UHFFFAOYSA-N 0 0 341.363 2.466 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1 ZINC000842920569 1315799049 /nfs/dbraw/zinc/79/90/49/1315799049.db2.gz SAFZWRSDFHWLPA-KPZWWZAWSA-N 0 0 337.416 2.007 10 10 EECERN CC[C@H](C)C[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OC ZINC000843415324 1315911009 /nfs/dbraw/zinc/91/10/09/1315911009.db2.gz JLNMSDYEJYGCKW-JQWIXIFHSA-N 0 0 340.376 2.376 10 10 EECERN C[C@H](NC(=O)c1ccc2c(c1)nc(CO)n2C)c1ccccc1O ZINC001151900345 1316605824 /nfs/dbraw/zinc/60/58/24/1316605824.db2.gz OAZZVMKDXUOSBT-NSHDSACASA-N 0 0 325.368 2.262 10 10 EECERN Cc1c2ccccc2c(=O)oc1C(=O)NCc1cc(O)ccc1O ZINC001153885381 1316908300 /nfs/dbraw/zinc/90/83/00/1316908300.db2.gz MXDUQMJCNAEGBK-UHFFFAOYSA-N 0 0 325.320 2.443 10 10 EECERN Cc1ccccc1C[C@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001154356963 1317098437 /nfs/dbraw/zinc/09/84/37/1317098437.db2.gz GURSCERAXZYJAR-MRXNPFEDSA-N 0 0 340.383 2.491 10 10 EECERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1c(O)cccc1O ZINC001156885524 1318264365 /nfs/dbraw/zinc/26/43/65/1318264365.db2.gz HZBIFGWOEDOLDE-QWRGUYRKSA-N 0 0 338.404 2.263 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCN2CC(F)F)cc1 ZINC001166854670 1321802151 /nfs/dbraw/zinc/80/21/51/1321802151.db2.gz OSEVHUSQSNQCLU-GFCCVEGCSA-N 0 0 339.346 2.308 10 10 EECERN Cn1ccc(-c2cc(C(=O)NCc3ccc4cccnc4c3O)no2)n1 ZINC001299726376 1321996258 /nfs/dbraw/zinc/99/62/58/1321996258.db2.gz SKJBZUZDRCYCAH-UHFFFAOYSA-N 0 0 349.350 2.259 10 10 EECERN CO[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC001264286921 1322669063 /nfs/dbraw/zinc/66/90/63/1322669063.db2.gz CWIIOZQBBQQHQG-AEFFLSMTSA-N 0 0 332.444 2.297 10 10 EECERN COc1cc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)C=C(C)C)cc(OC)n1 ZINC001288507757 1327816472 /nfs/dbraw/zinc/81/64/72/1327816472.db2.gz NCUOBFDCDVVATB-CHWSQXEVSA-N 0 0 349.431 2.078 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2nsnc21 ZINC001296246380 1329877169 /nfs/dbraw/zinc/87/71/69/1329877169.db2.gz LWJQZZAYERWYQP-SECBINFHSA-N 0 0 329.381 2.464 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](CO)CC2CCOCC2)cc1 ZINC001297176307 1329949067 /nfs/dbraw/zinc/94/90/67/1329949067.db2.gz RVHBGCNJTZTCRE-CYBMUJFWSA-N 0 0 348.403 2.004 10 10 EECERN Cc1ccc(C(=O)NCc2cc(Br)no2)c(O)c1O ZINC001298086483 1330033543 /nfs/dbraw/zinc/03/35/43/1330033543.db2.gz PFYUXTVNEKAWJQ-UHFFFAOYSA-N 0 0 327.134 2.087 10 10 EECERN COC(=O)C[C@H](NC(=O)c1cccc(O)c1O)c1cccc(C)c1 ZINC001302852469 1331338115 /nfs/dbraw/zinc/33/81/15/1331338115.db2.gz NPFAJSQMXBTHCA-AWEZNQCLSA-N 0 0 329.352 2.440 10 10 EECERN COc1ccc(N2CC[C@@H](Nc3ncnc4nc(N)ccc43)C2)cc1 ZINC001327714238 1334338277 /nfs/dbraw/zinc/33/82/77/1334338277.db2.gz LONPXRRABNFAFJ-GFCCVEGCSA-N 0 0 336.399 2.306 10 10 EECERN COC[C@@]1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC001328687997 1334499676 /nfs/dbraw/zinc/49/96/76/1334499676.db2.gz FRDJJEZFDQMFDC-LJQANCHMSA-N 0 0 347.459 2.234 10 10 EECERN COC(=O)c1cnc(CN2CCCc3cc(OC)cc(OC)c32)cn1 ZINC001334996724 1336323041 /nfs/dbraw/zinc/32/30/41/1336323041.db2.gz RYYJTLPZVIFLRP-UHFFFAOYSA-N 0 0 343.383 2.233 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC001343455405 1337334275 /nfs/dbraw/zinc/33/42/75/1337334275.db2.gz XLCIEDWLCILHLO-XOIINTDNSA-N 0 0 347.434 2.203 10 10 EECERN COCC1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000848434652 1338701029 /nfs/dbraw/zinc/70/10/29/1338701029.db2.gz YONGKXUDAYPUCF-UHFFFAOYSA-N 0 0 331.441 2.473 10 10 EECERN CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000848559259 1338721555 /nfs/dbraw/zinc/72/15/55/1338721555.db2.gz RFRQFSDLOIJDOW-AMIZOPFISA-N 0 0 336.201 2.342 10 10 EECERN CCC[C@@H](C)S(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416829 1339156332 /nfs/dbraw/zinc/15/63/32/1339156332.db2.gz XLMRDOBUAQTOGW-KGLIPLIRSA-N 0 0 326.462 2.382 10 10 EECERN O=C(NCC(F)(F)C1(O)CCCCC1)c1c(F)ccc(O)c1O ZINC001611695873 1352303659 /nfs/dbraw/zinc/30/36/59/1352303659.db2.gz WQOHCHWIGBIMQG-UHFFFAOYSA-N 0 0 333.306 2.297 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CC(Oc3ccncc3)C2)cc1 ZINC001615600551 1352324704 /nfs/dbraw/zinc/32/47/04/1352324704.db2.gz OZCHFGXQUWBQTK-UHFFFAOYSA-N 0 0 325.328 2.147 10 10 EECERN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC(C)(C)O ZINC001617941455 1352346513 /nfs/dbraw/zinc/34/65/13/1352346513.db2.gz QVFKADYWJDKQEB-UHFFFAOYSA-N 0 0 330.432 2.344 10 10 EECERN COc1ccc2onc(CC(=O)NCc3ccc(O)cc3O)c2c1 ZINC001557085866 1342440583 /nfs/dbraw/zinc/44/05/83/1342440583.db2.gz YPQQIDWVMKZSMN-UHFFFAOYSA-N 0 0 328.324 2.107 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccc(C2N=NC(=S)O2)cc1 ZINC001558162339 1342467209 /nfs/dbraw/zinc/46/72/09/1342467209.db2.gz ZPLFSADWWYCCCE-UHFFFAOYSA-N 0 0 343.364 2.367 10 10 EECERN O=C(NCc1cccnc1OCC(F)F)c1c(F)ccc(O)c1O ZINC001558960296 1342494019 /nfs/dbraw/zinc/49/40/19/1342494019.db2.gz FICZEIIAYSPRDU-UHFFFAOYSA-N 0 0 342.273 2.206 10 10 EECERN COc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(N)c1F ZINC001567467629 1342765136 /nfs/dbraw/zinc/76/51/36/1342765136.db2.gz NOIUKJOYBCFTID-VIFPVBQESA-N 0 0 334.347 2.189 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](NC(=O)OC)[C@@H](C)CC ZINC001623573422 1352400297 /nfs/dbraw/zinc/40/02/97/1352400297.db2.gz ADZWFYRVCHJFOQ-FZMZJTMJSA-N 0 0 343.420 2.265 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ncoc1-c1ccon1 ZINC001623574054 1352400336 /nfs/dbraw/zinc/40/03/36/1352400336.db2.gz JVQBBFDZVRKJSB-UHFFFAOYSA-N 0 0 334.328 2.451 10 10 EECERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001624954176 1352435679 /nfs/dbraw/zinc/43/56/79/1352435679.db2.gz FFORGAQXZOBSTH-VIFPVBQESA-N 0 0 331.328 2.070 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)COc2ccsn2)cc1 ZINC001628468619 1352535042 /nfs/dbraw/zinc/53/50/42/1352535042.db2.gz FOXLEAXEJIFVJX-UHFFFAOYSA-N 0 0 335.429 2.125 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(N2CCCNC2=O)c1 ZINC001629142916 1352549220 /nfs/dbraw/zinc/54/92/20/1352549220.db2.gz NGCBVNDICNRKMX-UHFFFAOYSA-N 0 0 341.367 2.199 10 10 EECERN Cc1cc(=O)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cn1C1CC1 ZINC001632680615 1352600817 /nfs/dbraw/zinc/60/08/17/1352600817.db2.gz AHJIDUZRNIHVRE-NSHDSACASA-N 0 0 342.395 2.264 10 10 EECERN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1cccc(O)c1O ZINC001637046775 1352671680 /nfs/dbraw/zinc/67/16/80/1352671680.db2.gz XXWUIFDTHYYZHV-UHFFFAOYSA-N 0 0 344.396 2.193 10 10 EECERN COC(=O)c1cnc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC001643210990 1352742862 /nfs/dbraw/zinc/74/28/62/1352742862.db2.gz ZQKHNIANHBYXKV-OTQAPUNGSA-N 0 0 348.380 2.232 10 10 EECERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1cc(O)ccc1O ZINC001651225210 1354044778 /nfs/dbraw/zinc/04/47/78/1354044778.db2.gz ABIJATDLDBHVLF-UHFFFAOYSA-N 0 0 344.323 2.285 10 10 EECERN CC1(C)OC(=O)c2c1cccc2C(=O)NCc1cc(O)ccc1O ZINC001651225629 1354044894 /nfs/dbraw/zinc/04/48/94/1354044894.db2.gz QYUAMMFLBINUMY-UHFFFAOYSA-N 0 0 327.336 2.433 10 10 EECERN C/C=C(\C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001681553276 1358029188 /nfs/dbraw/zinc/02/91/88/1358029188.db2.gz YEPSBUJRZULCSX-OXJBHRBVSA-N 0 0 349.431 2.078 10 10 EECERN Cc1cc(C(=O)CN2CCn3nncc3C2)c(C)n1-c1ccccc1 ZINC000847038054 790856157 /nfs/dbraw/zinc/85/61/57/790856157.db2.gz VOXXOKRUNAMEOX-UHFFFAOYSA-N 0 0 335.411 2.384 10 10 EECERN CCc1nc(C)ncc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001126524404 781715381 /nfs/dbraw/zinc/71/53/81/781715381.db2.gz ZRJLXGMOWWZEHC-UHFFFAOYSA-N 0 0 326.400 2.453 10 10 EECERN CC(C)n1cc(C(=O)NCc2cc(Br)ccc2O)nn1 ZINC000816653861 784171183 /nfs/dbraw/zinc/17/11/83/784171183.db2.gz LBHHBTSYNHIXLI-UHFFFAOYSA-N 0 0 339.193 2.257 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCOCC3)C2)cc1 ZINC000819590346 785599315 /nfs/dbraw/zinc/59/93/15/785599315.db2.gz YINRAUWRFNAWHA-HZPDHXFCSA-N 0 0 332.444 2.454 10 10 EECERN CC[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000822659752 787318325 /nfs/dbraw/zinc/31/83/25/787318325.db2.gz FRIQVJMLJKWBRT-BFYDXBDKSA-N 0 0 329.444 2.051 10 10 EECERN COc1cccc(CNC(=O)NCCC2SCCS2)c1O ZINC000823619027 787835749 /nfs/dbraw/zinc/83/57/49/787835749.db2.gz NQYMDBLIYONDCV-UHFFFAOYSA-N 0 0 328.459 2.396 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N(C)C[C@@H]3CCCO3)C2)cc1 ZINC000823725361 787911399 /nfs/dbraw/zinc/91/13/99/787911399.db2.gz BGMRJMOBUUILHU-YJBOKZPZSA-N 0 0 347.459 2.342 10 10 EECERN CCOC1(C)CN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000824682365 788272473 /nfs/dbraw/zinc/27/24/73/788272473.db2.gz YQJIGUQVRKOFRI-HNNXBMFYSA-N 0 0 347.459 2.342 10 10 EECERN Cc1cc(O)c(CN2CCN(Cc3nccn3C)CC2)cc1Cl ZINC000824720315 788286871 /nfs/dbraw/zinc/28/68/71/788286871.db2.gz OFGRQQJCVBULNN-UHFFFAOYSA-N 0 0 334.851 2.405 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N[C@H](CCF)C2=O)cc1F ZINC000844715140 789320017 /nfs/dbraw/zinc/32/00/17/789320017.db2.gz SRCPRFNXWOVXPA-CYBMUJFWSA-N 0 0 325.359 2.452 10 10 EECERN O=C(NCCCSc1nccs1)c1ccnc2[nH]c(=O)[nH]c21 ZINC001144321820 789549587 /nfs/dbraw/zinc/54/95/87/789549587.db2.gz AAQZQRSMZNAEOD-UHFFFAOYSA-N 0 0 335.414 2.032 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCC(=O)N(C)OCC ZINC000845560833 789843759 /nfs/dbraw/zinc/84/37/59/789843759.db2.gz KLLKXDLKFOVVAC-UHFFFAOYSA-N 0 0 337.420 2.114 10 10 EECERN COc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)nc1 ZINC000804246785 791487345 /nfs/dbraw/zinc/48/73/45/791487345.db2.gz GGKQZBCBWYQYMQ-UHFFFAOYSA-N 0 0 347.758 2.418 10 10 EECERN Cc1ccccc1C(=O)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000198307882 795652038 /nfs/dbraw/zinc/65/20/38/795652038.db2.gz ANKBTVWJXWEJAY-UHFFFAOYSA-N 0 0 339.439 2.449 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2c(O)cccc2O)C1 ZINC001178917541 799699791 /nfs/dbraw/zinc/69/97/91/799699791.db2.gz QOULYJQGUSUMRQ-LBPRGKRZSA-N 0 0 348.399 2.328 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000786996032 806958956 /nfs/dbraw/zinc/95/89/56/806958956.db2.gz FLIYBLYIQBBOBK-JLVBRIDZSA-N 0 0 347.434 2.385 10 10 EECERN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(-n2cncn2)cc1 ZINC000789944731 808284949 /nfs/dbraw/zinc/28/49/49/808284949.db2.gz XMCXNZRQVIKASF-SNVBAGLBSA-N 0 0 342.330 2.309 10 10 EECERN O=C(NCc1cc(=O)[nH]c2ccccc12)c1c(F)ccc(O)c1O ZINC000789986261 808316652 /nfs/dbraw/zinc/31/66/52/808316652.db2.gz IBPSPECTMZEOKX-UHFFFAOYSA-N 0 0 328.299 2.421 10 10 EECERN Cc1ncc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000793849647 810560676 /nfs/dbraw/zinc/56/06/76/810560676.db2.gz WBTRZSLNWJLOFA-LLVKDONJSA-N 0 0 346.456 2.011 10 10 EECERN COc1cccc(C(=O)c2ccc(C(=O)OCC(=O)C(C)=O)cc2)c1 ZINC000808538883 812710078 /nfs/dbraw/zinc/71/00/78/812710078.db2.gz JSCHJEKUSWENFS-UHFFFAOYSA-N 0 0 340.331 2.241 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC001450674128 1095042716 /nfs/dbraw/zinc/04/27/16/1095042716.db2.gz SQUPMPAKIQWMDO-INIZCTEOSA-N 0 0 338.407 2.304 10 10 EECERN COc1ccc(C(=O)NCc2ccc(O)cc2O)c(OC)c1OC ZINC001451734783 1097872765 /nfs/dbraw/zinc/87/27/65/1097872765.db2.gz FFZKOUZXDTYUDZ-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001451765771 1097910164 /nfs/dbraw/zinc/91/01/64/1097910164.db2.gz HRESKOTYGSLDGW-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](CO)Cc1ccccc1 ZINC001453285379 1106091586 /nfs/dbraw/zinc/09/15/86/1106091586.db2.gz APJAIPRWSQSOBZ-SIJIIQCFSA-N 0 0 327.380 2.173 10 10 EECERN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](CO)Cc1ccccc1 ZINC001453285384 1106091606 /nfs/dbraw/zinc/09/16/06/1106091606.db2.gz APJAIPRWSQSOBZ-XAVKZTDYSA-N 0 0 327.380 2.173 10 10 EECERN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](CO)Cc1ccccc1 ZINC001453285371 1106091694 /nfs/dbraw/zinc/09/16/94/1106091694.db2.gz APJAIPRWSQSOBZ-DZZUKKPASA-N 0 0 327.380 2.173 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)COc2ccccc2)cc1 ZINC001465905318 1110425898 /nfs/dbraw/zinc/42/58/98/1110425898.db2.gz JTLJRZWDPICJCB-AWEZNQCLSA-N 0 0 342.355 2.019 10 10 EECERN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cn1ncnn1 ZINC001466399257 1110435016 /nfs/dbraw/zinc/43/50/16/1110435016.db2.gz PJFHACSSLBHOHO-CQSZACIVSA-N 0 0 337.383 2.169 10 10 EECERN Cc1cnc2c(C(=O)NCc3ccc4cccnc4c3O)cnn2c1 ZINC001469250417 1110487972 /nfs/dbraw/zinc/48/79/72/1110487972.db2.gz STIZLCKJUKFYIW-UHFFFAOYSA-N 0 0 333.351 2.222 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1cccc2[nH]c(CO)nc21 ZINC001469877570 1110498498 /nfs/dbraw/zinc/49/84/98/1110498498.db2.gz RHPCQYQIACPZDQ-UHFFFAOYSA-N 0 0 331.759 2.344 10 10 EECERN COCCCOc1cccc(C(=O)NCc2c(O)cccc2O)c1 ZINC001472063154 1110540726 /nfs/dbraw/zinc/54/07/26/1110540726.db2.gz FSRJTTJKJIUXKX-UHFFFAOYSA-N 0 0 331.368 2.443 10 10 EECERN O=C(Nc1cccc(C(=O)NCc2c(O)cccc2O)c1)NC1CC1 ZINC001472063194 1110540895 /nfs/dbraw/zinc/54/08/95/1110540895.db2.gz GQPYHDWNNJLYHT-UHFFFAOYSA-N 0 0 341.367 2.312 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC001478648143 1110656056 /nfs/dbraw/zinc/65/60/56/1110656056.db2.gz CGSUCGGNAZXGRO-WMLDXEAASA-N 0 0 344.415 2.187 10 10 EECERN COCCCN(C)c1nnc(C)n1Cc1ccc2c(c1)CCCN2C ZINC001504806707 1113917494 /nfs/dbraw/zinc/91/74/94/1113917494.db2.gz MAIXCWQAPSMZOO-UHFFFAOYSA-N 0 0 343.475 2.490 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn2c1NC[C@H](C)C2 ZINC001520169656 1119133363 /nfs/dbraw/zinc/13/33/63/1119133363.db2.gz SEJLCQALCFREKW-NSHDSACASA-N 0 0 335.404 2.066 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1([C@H]2CCCCO2)CCCO1 ZINC001521308559 1119237304 /nfs/dbraw/zinc/23/73/04/1119237304.db2.gz NVUKGNQIADNLNQ-XVSDVWIESA-N 0 0 349.427 2.263 10 10 EECERN CC[C@@H](C)C(=O)N(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001523495443 1119802749 /nfs/dbraw/zinc/80/27/49/1119802749.db2.gz NHAYMVOGBKALQI-GFCCVEGCSA-N 0 0 347.419 2.473 10 10 EECERN COC[C@H](OC)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001534009551 1123284738 /nfs/dbraw/zinc/28/47/38/1123284738.db2.gz OEPMNCVYIBRJMA-INIZCTEOSA-N 0 0 339.347 2.062 10 10 EECERN NC(=O)Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001540631583 1124088405 /nfs/dbraw/zinc/08/84/05/1124088405.db2.gz IHXPWOKUGZCGBE-UHFFFAOYSA-N 0 0 325.328 2.129 10 10 EECERN CCOC(=O)C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCCC1 ZINC001541109008 1124099650 /nfs/dbraw/zinc/09/96/50/1124099650.db2.gz CAVWVKQHDSUIMG-CLFYSBASSA-N 0 0 333.384 2.493 10 10 EECERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC(=O)N1 ZINC001541326337 1124102565 /nfs/dbraw/zinc/10/25/65/1124102565.db2.gz HEBRWBMZGDKVOO-CQSZACIVSA-N 0 0 343.431 2.022 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCOC[C@H]2CCOC2)cc1 ZINC001544317264 1124148191 /nfs/dbraw/zinc/14/81/91/1124148191.db2.gz PNYKLRQKFOYTJB-GFCCVEGCSA-N 0 0 334.376 2.022 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCOC[C@@H]2CCOC2)cc1 ZINC001544317265 1124148571 /nfs/dbraw/zinc/14/85/71/1124148571.db2.gz PNYKLRQKFOYTJB-LBPRGKRZSA-N 0 0 334.376 2.022 10 10 EECERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cccc(O)c1O ZINC000193132829 237372402 /nfs/dbraw/zinc/37/24/02/237372402.db2.gz JEKJWIMLAYKSAF-JTQLQIEISA-N 0 0 333.775 2.155 10 10 EECERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000153749847 462687648 /nfs/dbraw/zinc/68/76/48/462687648.db2.gz NBFFUUAKPOEVJC-SQZHUTIHSA-N 0 0 342.439 2.175 10 10 EECERN Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)c(C)n1-c1ccc(F)cc1 ZINC000194623887 463897424 /nfs/dbraw/zinc/89/74/24/463897424.db2.gz AKQOYBJNQPWOAK-KRWDZBQOSA-N 0 0 345.418 2.294 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000288851250 464060251 /nfs/dbraw/zinc/06/02/51/464060251.db2.gz AFLFZLMUZUNTLD-RHSMWYFYSA-N 0 0 340.489 2.472 10 10 EECERN CCn1ncc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000293348765 464401935 /nfs/dbraw/zinc/40/19/35/464401935.db2.gz JGYPRBICLKKYLU-UHFFFAOYSA-N 0 0 327.432 2.464 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)c[nH]1 ZINC000294854475 464625469 /nfs/dbraw/zinc/62/54/69/464625469.db2.gz BOFRCDWXZFRSOJ-UHFFFAOYSA-N 0 0 331.391 2.293 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295094549 464701924 /nfs/dbraw/zinc/70/19/24/464701924.db2.gz JPMISPLYLIAHTN-SECBINFHSA-N 0 0 325.336 2.041 10 10 EECERN Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(O)c1O ZINC000182885371 464748866 /nfs/dbraw/zinc/74/88/66/464748866.db2.gz IWDFQOGGRCXZNQ-WFASDCNBSA-N 0 0 344.411 2.022 10 10 EECERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1c(F)ccc(O)c1O ZINC000295297655 464779759 /nfs/dbraw/zinc/77/97/59/464779759.db2.gz JUWRMCIJDOGQEV-UHFFFAOYSA-N 0 0 347.268 2.261 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCc4ccccc4C3)cc2N1 ZINC000301605876 465993950 /nfs/dbraw/zinc/99/39/50/465993950.db2.gz MRGHSGGLIMDLTO-UHFFFAOYSA-N 0 0 325.324 2.488 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC(c3nc(C)no3)C2)c([N+](=O)[O-])c1 ZINC000373872447 466950311 /nfs/dbraw/zinc/95/03/11/466950311.db2.gz HAWIJWYPPGGXLG-GQCTYLIASA-N 0 0 344.327 2.076 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@]1(C)Br ZINC000528994757 467790302 /nfs/dbraw/zinc/79/03/02/467790302.db2.gz CFRODOAOUXKMEW-YACGNSKGSA-N 0 0 328.206 2.319 10 10 EECERN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CC1=O ZINC000742392205 575980318 /nfs/dbraw/zinc/98/03/18/575980318.db2.gz NOLGTJCPZJENTF-CDMKHQONSA-N 0 0 339.233 2.254 10 10 EECERN CCNC(=O)CN(C)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000728914944 576559812 /nfs/dbraw/zinc/55/98/12/576559812.db2.gz JSRNHGWHHJAITK-UHFFFAOYSA-N 0 0 345.418 2.484 10 10 EECERN COc1ccc(O[C@H](C)C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734016397 577272428 /nfs/dbraw/zinc/27/24/28/577272428.db2.gz OVDVKNJPASBKGL-GFCCVEGCSA-N 0 0 331.368 2.493 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)O[C@@H]3CCNC3=O)c2C)cc1 ZINC000769951383 577587869 /nfs/dbraw/zinc/58/78/69/577587869.db2.gz MQKYEDCWXPZBAB-MRXNPFEDSA-N 0 0 328.368 2.148 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000763216333 577716999 /nfs/dbraw/zinc/71/69/99/577716999.db2.gz DCZWKGCRPGGYTF-RLFYNMQTSA-N 0 0 347.459 2.308 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCc1noc(C2CC2)n1 ZINC000763552979 577722597 /nfs/dbraw/zinc/72/25/97/577722597.db2.gz FVRVFRLBBHJWRC-UHFFFAOYSA-N 0 0 329.404 2.321 10 10 EECERN COc1ccc(N(C)C[C@@H](O)COc2ccc3c(c2)OCO3)cc1F ZINC000757851416 577865637 /nfs/dbraw/zinc/86/56/37/577865637.db2.gz IEVKBIGUISFHDB-CYBMUJFWSA-N 0 0 349.358 2.439 10 10 EECERN Cc1cc([N+](=O)[O-])ccc1/C=C1\SC(N2CCOCC2)=NC1=O ZINC000758016192 577868282 /nfs/dbraw/zinc/86/82/82/577868282.db2.gz KVKYPFFOCXTQOR-LCYFTJDESA-N 0 0 333.369 2.206 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000745833859 577919329 /nfs/dbraw/zinc/91/93/29/577919329.db2.gz DUPCTISNKSAFPN-INIZCTEOSA-N 0 0 346.475 2.293 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC2CCC(C(N)=O)CC2)cc1 ZINC000747578342 577946482 /nfs/dbraw/zinc/94/64/82/577946482.db2.gz CQPFKXVOBDQWIH-UHFFFAOYSA-N 0 0 346.475 2.376 10 10 EECERN CCOC(=O)[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1 ZINC000750049337 577986249 /nfs/dbraw/zinc/98/62/49/577986249.db2.gz YEYBIIDZHADUSD-AWEZNQCLSA-N 0 0 341.791 2.012 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3c[nH]c(=O)cc3C)CC2)cc1 ZINC000127718554 678402731 /nfs/dbraw/zinc/40/27/31/678402731.db2.gz GWYCDKSGOFMRJA-UHFFFAOYSA-N 0 0 341.411 2.091 10 10 EECERN COC(=O)c1c(CN2C[C@H](O)C(C)(C)C2)c2cc(F)ccc2n1C ZINC000894597407 682990454 /nfs/dbraw/zinc/99/04/54/682990454.db2.gz ZAXIZMKAUURFIZ-HNNXBMFYSA-N 0 0 334.391 2.307 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000895395329 684581173 /nfs/dbraw/zinc/58/11/73/684581173.db2.gz YRVBCVKQUBZDAG-CCNMWVGKSA-N 0 0 343.471 2.467 10 10 EECERN NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC000895439576 684601231 /nfs/dbraw/zinc/60/12/31/684601231.db2.gz DHNDFWAGHDMZQJ-UHFFFAOYSA-N 0 0 332.350 2.257 10 10 EECERN O=C(NCCCN1CCCCC1=O)c1cc2cc(O)c(O)cc2s1 ZINC000896213474 684904233 /nfs/dbraw/zinc/90/42/33/684904233.db2.gz CURLZMLJIPHTPM-UHFFFAOYSA-N 0 0 348.424 2.445 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000896964351 686014958 /nfs/dbraw/zinc/01/49/58/686014958.db2.gz BFCBHARTKRHJGY-WDEREUQCSA-N 0 0 346.408 2.196 10 10 EECERN CS[C@H](CO)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897065759 686091993 /nfs/dbraw/zinc/09/19/93/686091993.db2.gz PBESWDJZXTZADM-WPPNPWJKSA-N 0 0 327.427 2.155 10 10 EECERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)S1=O ZINC000897549365 691581214 /nfs/dbraw/zinc/58/12/14/691581214.db2.gz KODZSJGJUGDXNA-IUCAKERBSA-N 0 0 339.438 2.294 10 10 EECERN COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C2=CCCCCC2)cc1C ZINC001485990425 1193662244 /nfs/dbraw/zinc/66/22/44/1193662244.db2.gz UIJUHDFDLNOAMT-GOSISDBHSA-N 0 0 346.471 2.461 10 10 EECERN COC(=O)c1coc(/C=C/C(=O)NCc2ccc(OC)cc2O)c1 ZINC001626079355 1194326867 /nfs/dbraw/zinc/32/68/67/1194326867.db2.gz AZHYKNANTUNIEN-AATRIKPKSA-N 0 0 331.324 2.110 10 10 EECERN [O-]c1c(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc(F)c1F ZINC000703259892 1196401371 /nfs/dbraw/zinc/40/13/71/1196401371.db2.gz PYLNFBVENVRSFQ-IBGZPJMESA-N 0 0 348.393 2.397 10 10 EECERN Fc1cc(CNc2ncc3c(n2)COC3)ccc1N1CCOCC1 ZINC000865294677 1198156245 /nfs/dbraw/zinc/15/62/45/1198156245.db2.gz PBAUNWLXEXGQIB-UHFFFAOYSA-N 0 0 330.363 2.095 10 10 EECERN CC(C)[C@@](C)(CO)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000812014315 1200449876 /nfs/dbraw/zinc/44/98/76/1200449876.db2.gz HHJTYKWWTXPKIZ-HNAYVOBHSA-N 0 0 349.475 2.290 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cnn(CC2CCCC2)c1 ZINC000866757127 1201598398 /nfs/dbraw/zinc/59/83/98/1201598398.db2.gz KEIQDJQHJRNRFQ-UHFFFAOYSA-N 0 0 329.400 2.457 10 10 EECERN CO[C@@H](CS(=O)(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC000867690219 1201660067 /nfs/dbraw/zinc/66/00/67/1201660067.db2.gz DAXKPJXNIFZVFP-INIZCTEOSA-N 0 0 325.430 2.243 10 10 EECERN COc1ccc(O)c(CNC(=O)NCCCc2c(C)noc2C)c1 ZINC000129077411 1201713787 /nfs/dbraw/zinc/71/37/87/1201713787.db2.gz OEBYGEUXRVFVEA-UHFFFAOYSA-N 0 0 333.388 2.438 10 10 EECERN Cc1cc(N2CCC(NC(=O)N[C@@H](C)c3ccccc3O)CC2)n[nH]1 ZINC000868526721 1201827538 /nfs/dbraw/zinc/82/75/38/1201827538.db2.gz PXOJFQNVEDQOMP-ZDUSSCGKSA-N 0 0 343.431 2.453 10 10 EECERN CCN(CC)c1ccc(C=Cc2ncc(C(=O)NC)c(=O)[nH]2)cc1F ZINC000221780970 1204206762 /nfs/dbraw/zinc/20/67/62/1204206762.db2.gz YRLDEWGMPKIITG-CLFYSBASSA-N 0 0 344.390 2.285 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCC2(CCC2)O1 ZINC000925098756 1206069902 /nfs/dbraw/zinc/06/99/02/1206069902.db2.gz UHONBUOBQCILMR-AWEZNQCLSA-N 0 0 330.384 2.258 10 10 EECERN CC1(C)CO[C@H](CCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925132183 1206073420 /nfs/dbraw/zinc/07/34/20/1206073420.db2.gz KYDOROOBZQOKOH-CQSZACIVSA-N 0 0 332.400 2.362 10 10 EECERN COc1cccc(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000927439611 1206264819 /nfs/dbraw/zinc/26/48/19/1206264819.db2.gz BSURKZNQMOFUNY-GDBMZVCRSA-N 0 0 334.416 2.405 10 10 EECERN COc1cccc(CNC(=O)N[C@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000927439612 1206264889 /nfs/dbraw/zinc/26/48/89/1206264889.db2.gz BSURKZNQMOFUNY-GOEBONIOSA-N 0 0 334.416 2.405 10 10 EECERN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nnc2n1CCCCC2 ZINC000779493363 1210393527 /nfs/dbraw/zinc/39/35/27/1210393527.db2.gz QFXMENFTYVNTBK-UPZNUWHASA-N 0 0 342.399 2.306 10 10 EECERN C[C@@H](NC(=O)NCc1cc(C(N)=O)co1)c1ccc(N(C)C)cc1 ZINC000779661269 1210730523 /nfs/dbraw/zinc/73/05/23/1210730523.db2.gz NQKKYHWXGXUSNZ-LLVKDONJSA-N 0 0 330.388 2.005 10 10 EECERN C/C(=C\C(=O)NCCCSc1nccs1)CN1CCOCC1 ZINC000900682301 1234652743 /nfs/dbraw/zinc/65/27/43/1234652743.db2.gz FLVFUXMSBWVYCR-ACCUITESSA-N 0 0 341.502 2.020 10 10 EECERN O=C(/C=C/Cn1cncn1)N(Cc1ccco1)Cc1ccccc1O ZINC001137343385 1250236647 /nfs/dbraw/zinc/23/66/47/1250236647.db2.gz MYNAUWDFBVVWGB-FPYGCLRLSA-N 0 0 338.367 2.362 10 10 EECERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCC[C@H]2CCOC2)c1 ZINC000827195328 1250676174 /nfs/dbraw/zinc/67/61/74/1250676174.db2.gz ZBISVHPZAVDQMJ-OLZOCXBDSA-N 0 0 343.445 2.198 10 10 EECERN CO[C@H](C[NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000850344859 1277191195 /nfs/dbraw/zinc/19/11/95/1277191195.db2.gz ZLBVWENJDOOYHX-QMTHXVAHSA-N 0 0 330.222 2.296 10 10 EECERN C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)c(F)cc1[O-] ZINC000850546324 1277262464 /nfs/dbraw/zinc/26/24/64/1277262464.db2.gz HYGCKTUNLCXULV-YUMQZZPRSA-N 0 0 331.185 2.223 10 10 EECERN Nc1ccc(CCNC(=O)NCc2cnc(C(F)(F)F)nc2)cc1 ZINC000851662132 1277706294 /nfs/dbraw/zinc/70/62/94/1277706294.db2.gz AGGUSYMLVOZCSQ-UHFFFAOYSA-N 0 0 339.321 2.120 10 10 EECERN C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000852261546 1292069970 /nfs/dbraw/zinc/06/99/70/1292069970.db2.gz RRXKBGJFZWTXKA-SLEUVZQESA-N 0 0 328.420 2.410 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)O[C@H](C)[C@@H]3C)C2)cc1 ZINC000852451945 1292118000 /nfs/dbraw/zinc/11/80/00/1292118000.db2.gz RJISWTWKKXPNHV-JONQDZQNSA-N 0 0 347.459 2.481 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)n1cc(N)cn1 ZINC000852883214 1292224637 /nfs/dbraw/zinc/22/46/37/1292224637.db2.gz UXPFRHOEAMUHGI-UHFFFAOYSA-N 0 0 329.448 2.315 10 10 EECERN C[C@H](c1nccn1C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000853089856 1292277567 /nfs/dbraw/zinc/27/75/67/1292277567.db2.gz YNHOFJWODLRYHI-SNVBAGLBSA-N 0 0 348.790 2.305 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@H](C)C(O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000853835293 1292480621 /nfs/dbraw/zinc/48/06/21/1292480621.db2.gz XTHUSSLOSRSYOC-RAUBUVQISA-N 0 0 334.372 2.234 10 10 EECERN CCC[C@H](CCO)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300067 1292711109 /nfs/dbraw/zinc/71/11/09/1292711109.db2.gz OZKYPJQZBYEVME-CVEARBPZSA-N 0 0 349.475 2.372 10 10 EECERN CC[C@@](C)(CCO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300702 1292711124 /nfs/dbraw/zinc/71/11/24/1292711124.db2.gz YQFVYSUNVDSHHK-KDOFPFPSSA-N 0 0 335.448 2.124 10 10 EECERN Cc1cc(CC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000854337416 1292734681 /nfs/dbraw/zinc/73/46/81/1292734681.db2.gz YODFNRLJDCCCGO-DJJJIMSYSA-N 0 0 339.439 2.277 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1CCNC(=O)CC1 ZINC000854513152 1292825154 /nfs/dbraw/zinc/82/51/54/1292825154.db2.gz GVHAOZURQIZZOR-ZDUSSCGKSA-N 0 0 349.394 2.251 10 10 EECERN Cc1cc(CC(=O)NC[C@@]2(C)CCC(=O)N2)c(C)n1-c1ccccc1 ZINC000854900260 1292985557 /nfs/dbraw/zinc/98/55/57/1292985557.db2.gz UFUPCRXXKWLIIR-HXUWFJFHSA-N 0 0 339.439 2.422 10 10 EECERN COC(=O)c1coc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855228094 1293119713 /nfs/dbraw/zinc/11/97/13/1293119713.db2.gz VCHWYXBCFYTDNO-ZDUSSCGKSA-N 0 0 344.367 2.084 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)cc(=O)[nH]3)C2)cc1 ZINC000855226987 1293120024 /nfs/dbraw/zinc/12/00/24/1293120024.db2.gz SAYZRNFGDRVUQV-ZDUSSCGKSA-N 0 0 327.384 2.113 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)C3CCOCC3)C2)cc1 ZINC000855233724 1293123083 /nfs/dbraw/zinc/12/30/83/1293123083.db2.gz LICAYEZNZRJZQL-GDBMZVCRSA-N 0 0 332.444 2.453 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]2CCCC[C@H]12 ZINC000855641763 1293283820 /nfs/dbraw/zinc/28/38/20/1293283820.db2.gz BURKLJMKAXRITK-BZPMIXESSA-N 0 0 333.384 2.292 10 10 EECERN C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCO1 ZINC000856209265 1293444487 /nfs/dbraw/zinc/44/44/87/1293444487.db2.gz JIVGTWVKTJUXSV-BEFAXECRSA-N 0 0 346.471 2.469 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc(Cl)cn3)C2)cc1 ZINC000857302464 1293787273 /nfs/dbraw/zinc/78/72/73/1293787273.db2.gz RWMXFNLSHNNDEP-LLVKDONJSA-N 0 0 332.791 2.147 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cncc(N3CCCC3=O)c2)cc1 ZINC000858161411 1294028158 /nfs/dbraw/zinc/02/81/58/1294028158.db2.gz PMHZGMGPDWDKLB-UHFFFAOYSA-N 0 0 338.411 2.204 10 10 EECERN C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)c(F)cc1[O-] ZINC000858523872 1294142978 /nfs/dbraw/zinc/14/29/78/1294142978.db2.gz XPMDXXCUIHFVQV-UWVGGRQHSA-N 0 0 347.228 2.275 10 10 EECERN CCOC(=O)C1=CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000858791263 1294226730 /nfs/dbraw/zinc/22/67/30/1294226730.db2.gz LZVCZOKTENRVLL-HNNXBMFYSA-N 0 0 331.416 2.204 10 10 EECERN C/C=C/CNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000858888545 1294253353 /nfs/dbraw/zinc/25/33/53/1294253353.db2.gz NXUGIOQLWSNAIR-AATRIKPKSA-N 0 0 349.431 2.120 10 10 EECERN Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1ccc2cccnc2c1O ZINC000862026629 1295660585 /nfs/dbraw/zinc/66/05/85/1295660585.db2.gz VLSZYXNRNQEEFK-CQSZACIVSA-N 0 0 336.395 2.410 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)C(F)(F)C1(O)CCCC1 ZINC000862025913 1295660649 /nfs/dbraw/zinc/66/06/49/1295660649.db2.gz CAUMRYMTNLOGQS-UHFFFAOYSA-N 0 0 336.338 2.497 10 10 EECERN CCOc1cccc(CN[C@@H](C[C@H]2CCCOC2)C(=O)OC)c1O ZINC000862516728 1295864899 /nfs/dbraw/zinc/86/48/99/1295864899.db2.gz XUOLHCJWVMCVCU-HIFRSBDPSA-N 0 0 337.416 2.239 10 10 EECERN Cc1cc(CC(=O)NC[C@H]2COCCN2C)c(C)n1-c1ccccc1 ZINC000862968642 1296049967 /nfs/dbraw/zinc/04/99/67/1296049967.db2.gz ACIAZPWBXCVKQB-IBGZPJMESA-N 0 0 341.455 2.083 10 10 EECERN CNC(=O)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000797766801 1304827205 /nfs/dbraw/zinc/82/72/05/1304827205.db2.gz QXYWWDLPWAQSLR-WKTRQSJXSA-N 0 0 340.379 2.105 10 10 EECERN Cc1cc(C(=O)NC[C@](C)(O)CO)c(C)n1-c1cccc(Cl)c1 ZINC000798263855 1304965753 /nfs/dbraw/zinc/96/57/53/1304965753.db2.gz IXSHFWMGHZNEKQ-KRWDZBQOSA-N 0 0 336.819 2.221 10 10 EECERN CCN(Cc1ccc2c(c1)OCO2)C(=O)Cc1ccc(O)c(O)c1 ZINC001141284537 1315076495 /nfs/dbraw/zinc/07/64/95/1315076495.db2.gz CONSZEUFLMTLCT-UHFFFAOYSA-N 0 0 329.352 2.418 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2CCOC[C@H]2CC2CCC2)cc1 ZINC000839612948 1315220352 /nfs/dbraw/zinc/22/03/52/1315220352.db2.gz INOAGVCNFROHNI-LJQANCHMSA-N 0 0 345.487 2.260 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccnc(CO)c1 ZINC001141804019 1315322672 /nfs/dbraw/zinc/32/26/72/1315322672.db2.gz QNDCWCVGLXCQFH-UHFFFAOYSA-N 0 0 343.452 2.057 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)C2CCN(OC)CC2)c([N+](=O)[O-])c1 ZINC000840322918 1315351043 /nfs/dbraw/zinc/35/10/43/1315351043.db2.gz BNRGHVZQEUKDLO-ALCCZGGFSA-N 0 0 349.387 2.243 10 10 EECERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112182 1315478428 /nfs/dbraw/zinc/47/84/28/1315478428.db2.gz LPCPZZHPLOUGBA-YVEFUNNKSA-N 0 0 339.395 2.058 10 10 EECERN C[C@@H]1C[C@]2(CCO1)CN(C(=O)NCCc1ccc(N)cc1)C[C@H](C)O2 ZINC000841957885 1315644130 /nfs/dbraw/zinc/64/41/30/1315644130.db2.gz FFWBRPQNNCNRRX-ZRGWGRIASA-N 0 0 347.459 2.179 10 10 EECERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(O)cc1O ZINC001162271815 1320802724 /nfs/dbraw/zinc/80/27/24/1320802724.db2.gz SDOUTQWLAQFQNG-UHFFFAOYSA-N 0 0 334.353 2.415 10 10 EECERN Cc1nc2ccnn2cc1C(=O)NCc1ccc2cccnc2c1O ZINC001162612481 1320912241 /nfs/dbraw/zinc/91/22/41/1320912241.db2.gz KFCZEFLHZXKVEB-UHFFFAOYSA-N 0 0 333.351 2.222 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001162613109 1320912265 /nfs/dbraw/zinc/91/22/65/1320912265.db2.gz WOQVPFRHZRNRJF-INIZCTEOSA-N 0 0 348.362 2.145 10 10 EECERN CCOC(=O)CC[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001295454246 1329812786 /nfs/dbraw/zinc/81/27/86/1329812786.db2.gz OOMZOXXITGUOKF-ZDUSSCGKSA-N 0 0 335.400 2.222 10 10 EECERN CC(C)(C)CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O ZINC001297091231 1329942603 /nfs/dbraw/zinc/94/26/03/1329942603.db2.gz NUXKWRPTGGCXKP-LBPRGKRZSA-N 0 0 333.392 2.259 10 10 EECERN CC(=O)NCCC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001297608069 1329988903 /nfs/dbraw/zinc/98/89/03/1329988903.db2.gz MLESTYAPDQMXKM-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN Cc1nnc(N(C)[C@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C ZINC001304237965 1331382305 /nfs/dbraw/zinc/38/23/05/1331382305.db2.gz IPGDWTZMFLZPEF-KRWDZBQOSA-N 0 0 329.448 2.234 10 10 EECERN CC1CCN(c2ccc(CNC(=O)C(=O)N3CC(C)(F)C3)cc2)CC1 ZINC001322619055 1333295118 /nfs/dbraw/zinc/29/51/18/1333295118.db2.gz KPXRLBPWSNAJPF-UHFFFAOYSA-N 0 0 347.434 2.110 10 10 EECERN Cc1cc(C(=O)NCCOCCCO)c(C)n1-c1ccc(F)cc1 ZINC001322738449 1333317091 /nfs/dbraw/zinc/31/70/91/1333317091.db2.gz RWKSGWZIFYLUHB-UHFFFAOYSA-N 0 0 334.391 2.362 10 10 EECERN C[C@H]1C[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001325698306 1333943054 /nfs/dbraw/zinc/94/30/54/1333943054.db2.gz XKZRWIYVRHJRTK-RDJZCZTQSA-N 0 0 343.471 2.408 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC1CC(C)(C)C1 ZINC001331041385 1334952021 /nfs/dbraw/zinc/95/20/21/1334952021.db2.gz MJGTWHRADZOVJF-AWEZNQCLSA-N 0 0 345.487 2.413 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(F)(F)[C@H](CO)C1 ZINC001331700842 1335060451 /nfs/dbraw/zinc/06/04/51/1335060451.db2.gz OJTYSJHGKWMPOV-VIFPVBQESA-N 0 0 343.351 2.402 10 10 EECERN Cc1nn(C)c(S(=O)(=O)NCc2cc(C)ccc2O)c1C(F)F ZINC001334976980 1336320249 /nfs/dbraw/zinc/32/02/49/1336320249.db2.gz ZOYWWEQYJIAELR-UHFFFAOYSA-N 0 0 345.371 2.159 10 10 EECERN COCCCOc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001352657511 1338024775 /nfs/dbraw/zinc/02/47/75/1338024775.db2.gz FBDNOVUKGFMXEJ-UHFFFAOYSA-N 0 0 331.368 2.443 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)cc1 ZINC001354415107 1338506529 /nfs/dbraw/zinc/50/65/29/1338506529.db2.gz ROCBYFMBYVYHBO-BPQIPLTHSA-N 0 0 343.471 2.454 10 10 EECERN CC(=O)NC[C@]1(C)CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001358844305 1339112708 /nfs/dbraw/zinc/11/27/08/1339112708.db2.gz NIOOSVPNDVKODK-KRWDZBQOSA-N 0 0 345.403 2.227 10 10 EECERN O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1c(F)ccc(O)c1O ZINC001611237741 1352297491 /nfs/dbraw/zinc/29/74/91/1352297491.db2.gz QTNHJAUJBNNXTN-LBPRGKRZSA-N 0 0 343.713 2.493 10 10 EECERN COC(=O)c1cnc(Sc2ncc(C(N)=O)cc2Cl)s1 ZINC001612422849 1352307829 /nfs/dbraw/zinc/30/78/29/1352307829.db2.gz IKUHEQINYHYMGL-UHFFFAOYSA-N 0 0 329.790 2.228 10 10 EECERN COc1ccc(CNC(=O)c2c(C)[nH]nc2Br)c(O)c1 ZINC001617761906 1352344539 /nfs/dbraw/zinc/34/45/39/1352344539.db2.gz CZFVXRAEGARHLT-UHFFFAOYSA-N 0 0 340.177 2.125 10 10 EECERN CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001557967180 1342461023 /nfs/dbraw/zinc/46/10/23/1342461023.db2.gz WQJQJXNYQHWFTN-GFCCVEGCSA-N 0 0 348.424 2.181 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC(Cc3ncon3)CC2)cc1 ZINC001558452289 1342477720 /nfs/dbraw/zinc/47/77/20/1342477720.db2.gz WAOJJZJDSIJGCO-UHFFFAOYSA-N 0 0 342.359 2.327 10 10 EECERN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1nnn(C)n1 ZINC001623924988 1352409144 /nfs/dbraw/zinc/40/91/44/1352409144.db2.gz MRHOEKAMYCCGTN-ZDUSSCGKSA-N 0 0 337.383 2.319 10 10 EECERN CNC(=O)N[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC001624819391 1352431667 /nfs/dbraw/zinc/43/16/67/1352431667.db2.gz LLYCOSUQZPCEEQ-CYBMUJFWSA-N 0 0 346.456 2.299 10 10 EECERN CCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1CC ZINC001625608410 1352453303 /nfs/dbraw/zinc/45/33/03/1352453303.db2.gz ZOAJEZBWDITRKD-UHFFFAOYSA-N 0 0 342.443 2.232 10 10 EECERN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001633219210 1352607636 /nfs/dbraw/zinc/60/76/36/1352607636.db2.gz DKBFUDUKSXTLAT-JTQLQIEISA-N 0 0 333.392 2.224 10 10 EECERN Cn1cc(C=O)cc1C(=O)NCc1cccc(Br)c1O ZINC001640084466 1352705956 /nfs/dbraw/zinc/70/59/56/1352705956.db2.gz XCINVARSAXSDLY-UHFFFAOYSA-N 0 0 337.173 2.236 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1cnc2nccn2c1 ZINC001640088940 1352706020 /nfs/dbraw/zinc/70/60/20/1352706020.db2.gz WJPNAWUBGNXKDY-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC001645362955 1352776982 /nfs/dbraw/zinc/77/69/82/1352776982.db2.gz GWJUAVJXSPNIHD-UHFFFAOYSA-N 0 0 328.299 2.421 10 10 EECERN CCc1noc([C@@H]2CC[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C2)n1 ZINC001648264565 1353422252 /nfs/dbraw/zinc/42/22/52/1353422252.db2.gz UKPMIYUBBXHRFD-VXGBXAGGSA-N 0 0 331.372 2.038 10 10 EECERN Cn1nc(C(=O)NCc2cccc(Cl)c2O)cc1Br ZINC001648608834 1353435938 /nfs/dbraw/zinc/43/59/38/1353435938.db2.gz NHNOZAPZFRGCGT-UHFFFAOYSA-N 0 0 344.596 2.472 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC001651584386 1354057433 /nfs/dbraw/zinc/05/74/33/1354057433.db2.gz OULQRWIMJHXWEN-ZDUSSCGKSA-N 0 0 344.293 2.236 10 10 EECERN CCCC[C@H](NC(N)=O)C(=O)NCc1c(O)ccc2ccccc21 ZINC001652706036 1354099773 /nfs/dbraw/zinc/09/97/73/1354099773.db2.gz SUYIIPAZZUGWAN-HNNXBMFYSA-N 0 0 329.400 2.389 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)c1 ZINC001167294105 757709563 /nfs/dbraw/zinc/70/95/63/757709563.db2.gz YVJNDVCBIFNFOW-CQSZACIVSA-N 0 0 328.343 2.267 10 10 EECERN Cc1nc([C@H]2CCN(C(=O)NCc3ccc(N(C)C)cc3C)C2)no1 ZINC000919068670 769568043 /nfs/dbraw/zinc/56/80/43/769568043.db2.gz ALXUQIDUAYGFCK-HNNXBMFYSA-N 0 0 343.431 2.452 10 10 EECERN Cc1nn(CC2CC2)c(C)c1CC(=O)NCCc1ccc(N)cc1 ZINC000846665987 790348172 /nfs/dbraw/zinc/34/81/72/790348172.db2.gz PYVFVHKSMHAVKS-UHFFFAOYSA-N 0 0 326.444 2.394 10 10 EECERN CC(C)n1cc(C(=O)NCc2cccc(Br)c2O)nn1 ZINC000816495684 784057916 /nfs/dbraw/zinc/05/79/16/784057916.db2.gz GCSGDVPKZFLVIA-UHFFFAOYSA-N 0 0 339.193 2.257 10 10 EECERN C[C@H](NC(=O)c1cccc(O)c1O)c1ncc(Br)cn1 ZINC000817272125 784647793 /nfs/dbraw/zinc/64/77/93/784647793.db2.gz IYGMPFBSZSCZEW-ZETCQYMHSA-N 0 0 338.161 2.141 10 10 EECERN Cc1cc(Br)c(O)c(CN[C@H](C)c2ncn(C)n2)c1 ZINC000780565703 784752211 /nfs/dbraw/zinc/75/22/11/784752211.db2.gz OAJDYKLLSCDPLC-SECBINFHSA-N 0 0 325.210 2.442 10 10 EECERN CN1C(=O)c2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2C1=O ZINC001146232468 791142960 /nfs/dbraw/zinc/14/29/60/791142960.db2.gz LUZWOHBNFAXKCA-UHFFFAOYSA-N 0 0 344.754 2.201 10 10 EECERN COC(=O)[C@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1F ZINC001136555088 787077631 /nfs/dbraw/zinc/07/76/31/787077631.db2.gz CHBQUIZMQACBPO-GFCCVEGCSA-N 0 0 327.308 2.376 10 10 EECERN CO[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000823293054 787681361 /nfs/dbraw/zinc/68/13/61/787681361.db2.gz WWMFRHGZKMXLSV-SFHVURJKSA-N 0 0 332.444 2.345 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1CC12CC2 ZINC000823862213 787966611 /nfs/dbraw/zinc/96/66/11/787966611.db2.gz LPXRDVWJRGCFSB-KRWDZBQOSA-N 0 0 329.444 2.247 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)[nH]nc3Cl)C2)cc1 ZINC000912292284 788090350 /nfs/dbraw/zinc/09/03/50/788090350.db2.gz KQJCAZQRTYSEOR-LLVKDONJSA-N 0 0 334.807 2.389 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@H]3C[C@@H](OC)C3)C2)cc1 ZINC000824685449 788273642 /nfs/dbraw/zinc/27/36/42/788273642.db2.gz DPEWLHHRBUIETP-KYJSFNMBSA-N 0 0 347.459 2.340 10 10 EECERN CS[C@@H](C)C(=O)NCc1cc(NC(=O)[C@H](C)SC)ccc1O ZINC000923126137 788900763 /nfs/dbraw/zinc/90/07/63/788900763.db2.gz HKYULRNODRFODC-UWVGGRQHSA-N 0 0 342.486 2.450 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@H](C)CC3)C2)cc1 ZINC000923182093 789060386 /nfs/dbraw/zinc/06/03/86/789060386.db2.gz DAUDUNQEKRJPFL-HUUCEWRRSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)/C=C/c2cnccn2)cc1 ZINC000844853445 789427283 /nfs/dbraw/zinc/42/72/83/789427283.db2.gz HUPBDYVSMIQLSD-RUDMXATFSA-N 0 0 326.400 2.093 10 10 EECERN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(S(N)(=O)=O)c1C ZINC001171729665 796706892 /nfs/dbraw/zinc/70/68/92/796706892.db2.gz FYTXEZVYWNKACN-LBPRGKRZSA-N 0 0 348.424 2.147 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cnc2c(F)cc(F)cc2c1O ZINC001178910912 799696589 /nfs/dbraw/zinc/69/65/89/799696589.db2.gz IYWVPODRYTXNGE-UHFFFAOYSA-N 0 0 346.289 2.148 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000789767222 808171703 /nfs/dbraw/zinc/17/17/03/808171703.db2.gz FVYXGKXWFFOPCJ-OAHLLOKOSA-N 0 0 339.233 2.175 10 10 EECERN COCCCCNC(=O)NCc1cc(Br)ccc1O ZINC000804918284 811067416 /nfs/dbraw/zinc/06/74/16/811067416.db2.gz YLWIJUVULWGLOP-UHFFFAOYSA-N 0 0 331.210 2.381 10 10 EECERN O=C(COC(=O)c1cc(-n2cccc2)ccn1)c1ccc(O)c(O)c1 ZINC000805712001 811489681 /nfs/dbraw/zinc/48/96/81/811489681.db2.gz FIQLPMMCWAZKSV-UHFFFAOYSA-N 0 0 338.319 2.323 10 10 EECERN CC(=O)C(=O)COC(=O)c1c(C)c(C)sc1NC(=O)C(C)C ZINC000808513909 812684717 /nfs/dbraw/zinc/68/47/17/812684717.db2.gz PANFQIDLKVAIAO-UHFFFAOYSA-N 0 0 325.386 2.274 10 10 EECERN CCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccccc1Cl ZINC000808540931 812710629 /nfs/dbraw/zinc/71/06/29/812710629.db2.gz KRCNDRFCODZRHE-UHFFFAOYSA-N 0 0 334.759 2.403 10 10 EECERN CC(=O)C(=O)COC(=O)C(C)(C)c1ccccc1Br ZINC000808548932 812716374 /nfs/dbraw/zinc/71/63/74/812716374.db2.gz SVQXDLGDAATJCG-UHFFFAOYSA-N 0 0 327.174 2.428 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCOC[C@H]1C ZINC000809389178 813121994 /nfs/dbraw/zinc/12/19/94/813121994.db2.gz UPABKEGSEJUQMM-RHSMWYFYSA-N 0 0 340.489 2.329 10 10 EECERN C[N@H+](CCNC(=O)Cc1ccc(O)c(O)c1)Cc1ccc(F)cc1 ZINC001566223204 1125591171 /nfs/dbraw/zinc/59/11/71/1125591171.db2.gz TVVBWGPBZAJWFE-UHFFFAOYSA-N 0 0 332.375 2.028 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2cn(-c3ccccc3)nn2)cc1 ZINC001566275024 1125593065 /nfs/dbraw/zinc/59/30/65/1125593065.db2.gz BKIPOHQVVBXDJQ-UHFFFAOYSA-N 0 0 349.354 2.360 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCCc2c(C)[nH][nH]c2=O)cc1 ZINC001443470604 1097969323 /nfs/dbraw/zinc/96/93/23/1097969323.db2.gz XLYFZUWMYIIJEK-KRWDZBQOSA-N 0 0 338.411 2.336 10 10 EECERN CCCC(=O)NC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001493453658 1108182095 /nfs/dbraw/zinc/18/20/95/1108182095.db2.gz BMPDQJAFSMQFKJ-CQSZACIVSA-N 0 0 345.403 2.274 10 10 EECERN CCN1CC[C@@H]1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001464311891 1110391441 /nfs/dbraw/zinc/39/14/41/1110391441.db2.gz WMYMVBIOTVIBJR-SUNYJGFJSA-N 0 0 349.450 2.150 10 10 EECERN CC1(C)CN(CC(F)(F)F)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001466440571 1110435656 /nfs/dbraw/zinc/43/56/56/1110435656.db2.gz MYKTUFLYYCJHAH-UHFFFAOYSA-N 0 0 346.349 2.125 10 10 EECERN Cc1ncc(CNC(=O)NCc2cccc(Br)c2O)o1 ZINC001470472647 1110506549 /nfs/dbraw/zinc/50/65/49/1110506549.db2.gz IIDRGFATZPSYBX-UHFFFAOYSA-N 0 0 340.177 2.451 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001472755029 1110563005 /nfs/dbraw/zinc/56/30/05/1110563005.db2.gz JOHFBZJWDZNHLG-SECBINFHSA-N 0 0 331.328 2.148 10 10 EECERN CCC(=O)N(C)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001508293344 1115475350 /nfs/dbraw/zinc/47/53/50/1115475350.db2.gz PBAWMOJEDDEZPG-CQSZACIVSA-N 0 0 345.403 2.322 10 10 EECERN C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1(C)CC1 ZINC001510623189 1117817865 /nfs/dbraw/zinc/81/78/65/1117817865.db2.gz GJQZRYFZLZXBGC-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1CC1([S@@](C)=O)CCC1 ZINC001511776364 1118243053 /nfs/dbraw/zinc/24/30/53/1118243053.db2.gz RBSQNYXKFKLXOQ-XMMPIXPASA-N 0 0 348.472 2.230 10 10 EECERN O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccc(O)c1O ZINC001521851172 1119279884 /nfs/dbraw/zinc/27/98/84/1119279884.db2.gz HEKQOYDNYDSJEN-UHFFFAOYSA-N 0 0 340.379 2.305 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H](C)C1CC1 ZINC001526697963 1120571837 /nfs/dbraw/zinc/57/18/37/1120571837.db2.gz JFJFAMYYAAYBQE-MNOVXSKESA-N 0 0 345.403 2.130 10 10 EECERN CC(=O)NC(=CC1=S=CC=C1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC001540458484 1124083195 /nfs/dbraw/zinc/08/31/95/1124083195.db2.gz PQXQSIHCZZGBMC-MHWRWJLKSA-N 0 0 328.393 2.125 10 10 EECERN Cc1nnc(N2CCCOCC2)n1Cc1ccc(N(C)C)cc1C ZINC001542227000 1124111907 /nfs/dbraw/zinc/11/19/07/1124111907.db2.gz PNAYBWKBMRMHHB-UHFFFAOYSA-N 0 0 329.448 2.236 10 10 EECERN COc1ccc(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)c(O)c1 ZINC001568098512 1124302261 /nfs/dbraw/zinc/30/22/61/1124302261.db2.gz ZOBFSBUXZCDDMF-ZDUSSCGKSA-N 0 0 344.342 2.282 10 10 EECERN O=C(c1cccc(O)c1O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000192899364 237347480 /nfs/dbraw/zinc/34/74/80/237347480.db2.gz YQFDSABOINMYAG-UHFFFAOYSA-N 0 0 346.427 2.353 10 10 EECERN CCOc1ccncc1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000295976911 465040342 /nfs/dbraw/zinc/04/03/42/465040342.db2.gz NZPRSLQNMGMPCS-UHFFFAOYSA-N 0 0 335.429 2.025 10 10 EECERN CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](O)C(F)F ZINC000297224216 465249453 /nfs/dbraw/zinc/24/94/53/465249453.db2.gz XUUMHZGWBOLGDO-HUUCEWRRSA-N 0 0 341.402 2.491 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CSC(=O)N1 ZINC000154705208 462799163 /nfs/dbraw/zinc/79/91/63/462799163.db2.gz FLUKNNMLNGJKFC-HNNXBMFYSA-N 0 0 333.457 2.460 10 10 EECERN CCC(=O)N1CSC[C@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000076204711 462822502 /nfs/dbraw/zinc/82/25/02/462822502.db2.gz QFQHISHZJMYUKJ-INIZCTEOSA-N 0 0 349.500 2.413 10 10 EECERN Cc1nc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cs1 ZINC000048353691 462899114 /nfs/dbraw/zinc/89/91/14/462899114.db2.gz PLIOOISKLNXKGB-HNNXBMFYSA-N 0 0 344.484 2.443 10 10 EECERN O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(O)c(O)c1 ZINC000097235070 463352682 /nfs/dbraw/zinc/35/26/82/463352682.db2.gz OZPCMDBWWUGBRJ-LBPRGKRZSA-N 0 0 334.322 2.385 10 10 EECERN CC1(C)CC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)O1 ZINC000278541960 463969870 /nfs/dbraw/zinc/96/98/70/463969870.db2.gz CISXYRBOQGRKKG-GOSISDBHSA-N 0 0 346.471 2.469 10 10 EECERN CCc1nnc(CN2CCCN(c3ccc(OC)cc3)CC2)n1C ZINC000195096920 463990370 /nfs/dbraw/zinc/99/03/70/463990370.db2.gz IZZBTYRRNGNWCU-UHFFFAOYSA-N 0 0 329.448 2.098 10 10 EECERN Nc1ccc(CC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1 ZINC000178858926 463994865 /nfs/dbraw/zinc/99/48/65/463994865.db2.gz RZZUGWOMZSPXTG-CQSZACIVSA-N 0 0 331.366 2.485 10 10 EECERN CN(Cc1cnccn1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172275215 464035404 /nfs/dbraw/zinc/03/54/04/464035404.db2.gz HYRHLSKMPKPOHI-UHFFFAOYSA-N 0 0 325.416 2.418 10 10 EECERN CCn1cc([C@H]2CN(Cc3cc(OC)c(OC)cc3O)CCO2)cn1 ZINC000189856732 464556493 /nfs/dbraw/zinc/55/64/93/464556493.db2.gz LBHRNLQGPKRQJA-GOSISDBHSA-N 0 0 347.415 2.199 10 10 EECERN CO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000294626520 464557110 /nfs/dbraw/zinc/55/71/10/464557110.db2.gz WVPJMEDESLYFAI-SJLPKXTDSA-N 0 0 332.444 2.345 10 10 EECERN COCCN(Cc1ccnc(OC)n1)c1ccc(OC)c(OC)c1 ZINC000295013240 464677880 /nfs/dbraw/zinc/67/78/80/464677880.db2.gz UABNWUAAJQBICJ-UHFFFAOYSA-N 0 0 333.388 2.155 10 10 EECERN C[C@H](NCc1cc2c(cc1O)OCO2)c1nnc2n1CCCCC2 ZINC000324722975 466649215 /nfs/dbraw/zinc/64/92/15/466649215.db2.gz GHQRQTBWDANUOS-NSHDSACASA-N 0 0 330.388 2.290 10 10 EECERN CCOC(=O)CC[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000089893250 528747484 /nfs/dbraw/zinc/74/74/84/528747484.db2.gz BDDNZZNQUSYRPS-GFCCVEGCSA-N 0 0 339.411 2.423 10 10 EECERN CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1[O-] ZINC000375861341 529202942 /nfs/dbraw/zinc/20/29/42/529202942.db2.gz MYUGFWNZZUZEBR-HZPDHXFCSA-N 0 0 336.407 2.352 10 10 EECERN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2ccccc2O)C1 ZINC000773585043 577352727 /nfs/dbraw/zinc/35/27/27/577352727.db2.gz ZEVILHUOQXBXDU-TZMCWYRMSA-N 0 0 335.404 2.058 10 10 EECERN COC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000768450509 577555992 /nfs/dbraw/zinc/55/59/92/577555992.db2.gz GGQCMIFUYDTXBP-GOSISDBHSA-N 0 0 334.391 2.360 10 10 EECERN Cc1cc(N(C)C)ccc1CNc1ccnc(N2CCOCC2)n1 ZINC000758869325 577632769 /nfs/dbraw/zinc/63/27/69/577632769.db2.gz ZNTABZUCGSNQHE-UHFFFAOYSA-N 0 0 327.432 2.300 10 10 EECERN COC[C@@H]1NC(=O)N(CCc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000760972476 577673245 /nfs/dbraw/zinc/67/32/45/577673245.db2.gz URZPFHWMXWIQJC-KRWDZBQOSA-N 0 0 341.411 2.203 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCCC[C@@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000762180448 577696677 /nfs/dbraw/zinc/69/66/77/577696677.db2.gz BNUVRIYQLUPKEB-FWPCIQOSSA-N 0 0 347.371 2.015 10 10 EECERN CCS(=O)(=O)c1cccc(C(=O)NCc2cc(OC)ccc2O)c1 ZINC000763057145 577713646 /nfs/dbraw/zinc/71/36/46/577713646.db2.gz BTKNAOURYJEDCX-UHFFFAOYSA-N 0 0 349.408 2.124 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1COc2ccc(F)cc2C1 ZINC000752889488 577777651 /nfs/dbraw/zinc/77/76/51/577777651.db2.gz FXFYHVGVYRKNER-OKEUPSHZSA-N 0 0 329.327 2.370 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C\c2cn(C)nc2C)c2ccccc21 ZINC000755410196 577824867 /nfs/dbraw/zinc/82/48/67/577824867.db2.gz KYMWMICYTLBLHV-DHDCSXOGSA-N 0 0 325.368 2.179 10 10 EECERN C[C@H](NC(=O)NC[C@@H]1CCC[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC000745780173 577918359 /nfs/dbraw/zinc/91/83/59/577918359.db2.gz RBHIVEJNFFYYDN-QILLFSRXSA-N 0 0 347.459 2.044 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N(C)C1CC1 ZINC000736330176 578196543 /nfs/dbraw/zinc/19/65/43/578196543.db2.gz SWBJGYATULPYMF-UHFFFAOYSA-N 0 0 325.478 2.302 10 10 EECERN CC(=O)OC(C)(C)C(=O)NCc1cc(Br)ccc1O ZINC000804735506 675609840 /nfs/dbraw/zinc/60/98/40/675609840.db2.gz BOHCONFBMMOPPO-UHFFFAOYSA-N 0 0 330.178 2.113 10 10 EECERN Cc1cc(=O)[nH]cc1C(=O)NCc1cc(Br)ccc1O ZINC000804736518 675610883 /nfs/dbraw/zinc/61/08/83/675610883.db2.gz WPCWFUDZJIGIGR-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN COc1cccc(CNC(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000924501088 679362150 /nfs/dbraw/zinc/36/21/50/679362150.db2.gz CNKDLRVYZSYXSC-CMPLNLGQSA-N 0 0 348.321 2.310 10 10 EECERN COC(=O)c1c(CN(C)[C@H](C)C(=O)OC)c2cc(F)ccc2n1C ZINC000894620698 682992093 /nfs/dbraw/zinc/99/20/93/682992093.db2.gz QVVONPMLXVMYQK-SNVBAGLBSA-N 0 0 336.363 2.097 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H](C)C3CCOCC3)CC2)cc1 ZINC000179165710 690921130 /nfs/dbraw/zinc/92/11/30/690921130.db2.gz VZTTXWBGEMFXRE-HNNXBMFYSA-N 0 0 332.444 2.407 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCC2(NC(=O)C3CCC3)CC2)cc1 ZINC001299187394 1187259645 /nfs/dbraw/zinc/25/96/45/1187259645.db2.gz GQSADOWKOQYBIX-UHFFFAOYSA-N 0 0 343.387 2.028 10 10 EECERN CC[C@@H](C)C(=O)N(C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001299316865 1197959619 /nfs/dbraw/zinc/95/96/19/1197959619.db2.gz YAJBFDBUMUVBIL-LLVKDONJSA-N 0 0 345.403 2.178 10 10 EECERN CC(C)C[C@@]1(C(=O)NCc2ccc3c(c2)CCCN3C)CCNC1=O ZINC000865052825 1198064462 /nfs/dbraw/zinc/06/44/62/1198064462.db2.gz GJZCJAZUTFMQJY-FQEVSTJZSA-N 0 0 343.471 2.238 10 10 EECERN COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000874082144 1198785992 /nfs/dbraw/zinc/78/59/92/1198785992.db2.gz QMOHWIHNSANEBV-JKSUJKDBSA-N 0 0 348.468 2.055 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000869636300 1200191757 /nfs/dbraw/zinc/19/17/57/1200191757.db2.gz MYASLKIVODYRLA-KWCYVHTRSA-N 0 0 337.169 2.036 10 10 EECERN O=C(Cc1cc(F)cc2c1OCOC2)N1Cc2cccc(O)c2C1 ZINC000871197975 1201095870 /nfs/dbraw/zinc/09/58/70/1201095870.db2.gz BZTBEIUGBXDBBN-UHFFFAOYSA-N 0 0 329.327 2.483 10 10 EECERN CS[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000868131109 1201749848 /nfs/dbraw/zinc/74/98/48/1201749848.db2.gz YSKIVZKCOQEEQK-KOMQPUFPSA-N 0 0 335.473 2.216 10 10 EECERN CC(C)(F)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000868694505 1201860902 /nfs/dbraw/zinc/86/09/02/1201860902.db2.gz ZUWNIHLWJBXQFC-UHFFFAOYSA-N 0 0 345.365 2.349 10 10 EECERN CCO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc2cccnc2c1O ZINC000868937272 1201908769 /nfs/dbraw/zinc/90/87/69/1201908769.db2.gz HYBQKLPHVBTLQV-ZBFHGGJFSA-N 0 0 344.411 2.388 10 10 EECERN COc1ccc(CNC(=O)N[C@H](C2CCC2)[C@H]2CCOC2)c(O)c1 ZINC000869005031 1201922317 /nfs/dbraw/zinc/92/23/17/1201922317.db2.gz NKJCFUUGNSUKJY-WMLDXEAASA-N 0 0 334.416 2.405 10 10 EECERN CCn1nccc1/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000221959018 1204221449 /nfs/dbraw/zinc/22/14/49/1204221449.db2.gz ATSGTBHREJKTPD-TWGQIWQCSA-N 0 0 340.427 2.274 10 10 EECERN C[C@@H](NC(=O)NCc1nc(CN(C)C)cs1)c1ccccc1O ZINC000924787190 1206031700 /nfs/dbraw/zinc/03/17/00/1206031700.db2.gz JUAIHWMWSAUXKE-LLVKDONJSA-N 0 0 334.445 2.471 10 10 EECERN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1F ZINC000778625279 1208308088 /nfs/dbraw/zinc/30/80/88/1208308088.db2.gz SSECYGPIXIYQDS-RHSMWYFYSA-N 0 0 335.423 2.413 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2c2nccs2)cc1 ZINC000078798252 1210405537 /nfs/dbraw/zinc/40/55/37/1210405537.db2.gz NBTPGKFDSRXIKW-OAHLLOKOSA-N 0 0 330.457 2.494 10 10 EECERN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1S(C)(=O)=O ZINC000779541130 1210459544 /nfs/dbraw/zinc/45/95/44/1210459544.db2.gz FGBNEDKEDBGIEV-VMPITWQZSA-N 0 0 347.392 2.462 10 10 EECERN C[C@H]1COCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000195347165 1211393617 /nfs/dbraw/zinc/39/36/17/1211393617.db2.gz KSGHESZGXWOSNE-YJBOKZPZSA-N 0 0 332.444 2.154 10 10 EECERN COc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)ncn2)c(O)c1 ZINC000795288316 1212429801 /nfs/dbraw/zinc/42/98/01/1212429801.db2.gz BKUFDHBJLDIFAO-CYBMUJFWSA-N 0 0 344.415 2.012 10 10 EECERN CS[C@H](CO)[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000305184425 1216154154 /nfs/dbraw/zinc/15/41/54/1216154154.db2.gz XFEPBVIWBMNTKA-GXFFZTMASA-N 0 0 333.413 2.093 10 10 EECERN COc1ccccc1[C@@H](O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000900432195 1234349110 /nfs/dbraw/zinc/34/91/10/1234349110.db2.gz CHKIEWMUYVDXLB-LJQANCHMSA-N 0 0 340.423 2.427 10 10 EECERN COC[C@@H]1CCN(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000800894720 1234760323 /nfs/dbraw/zinc/76/03/23/1234760323.db2.gz HTVAKZZYYRFCPU-QGZVFWFLSA-N 0 0 347.459 2.043 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@@H](c2ncccn2)C2CC2)cc1 ZINC000902935609 1239125345 /nfs/dbraw/zinc/12/53/45/1239125345.db2.gz YBMFBSVJJHCAJU-MRXNPFEDSA-N 0 0 325.416 2.493 10 10 EECERN CCOC(=O)C1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC000803120430 1239348357 /nfs/dbraw/zinc/34/83/57/1239348357.db2.gz ICVXZSCTNWTADN-CQSZACIVSA-N 0 0 348.443 2.290 10 10 EECERN CO[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCOC1 ZINC000850344376 1277189136 /nfs/dbraw/zinc/18/91/36/1277189136.db2.gz GYFIQCFKRXOTGQ-RNCFNFMXSA-N 0 0 330.768 2.095 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCOC(C)(C)C)C2)cc1 ZINC000852029301 1291962187 /nfs/dbraw/zinc/96/21/87/1291962187.db2.gz HYCIADNDKBIUPW-AWEZNQCLSA-N 0 0 335.448 2.388 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H](C)OC(C)(C)C3)C2)cc1 ZINC000852454744 1292118425 /nfs/dbraw/zinc/11/84/25/1292118425.db2.gz QCBDYVIATMRQKW-HUUCEWRRSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](OC)C3)C2)cc1 ZINC000852455302 1292118925 /nfs/dbraw/zinc/11/89/25/1292118925.db2.gz UNJZPAYFYZVACZ-YOEHRIQHSA-N 0 0 333.432 2.094 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCCO[C@H]1CC1(F)F ZINC000852530018 1292127502 /nfs/dbraw/zinc/12/75/02/1292127502.db2.gz RBHZLKWTBXJDPG-AWEZNQCLSA-N 0 0 327.375 2.284 10 10 EECERN CNC(=O)c1cccnc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853955287 1292552588 /nfs/dbraw/zinc/55/25/88/1292552588.db2.gz CCNYUZGFCOMZGH-UHFFFAOYSA-N 0 0 340.427 2.014 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC2(COC2)C1 ZINC000854177553 1292663369 /nfs/dbraw/zinc/66/33/69/1292663369.db2.gz ZNPLLEHVEQGRFF-HNNXBMFYSA-N 0 0 331.460 2.424 10 10 EECERN CC[C@H](C[C@@H](C)CO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299924 1292710888 /nfs/dbraw/zinc/71/08/88/1292710888.db2.gz MGPUIEXUCWBCMT-BZUAXINKSA-N 0 0 349.475 2.370 10 10 EECERN CC[C@H]1COCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301652 1292711990 /nfs/dbraw/zinc/71/19/90/1292711990.db2.gz RRZRZBWPLKWKJX-CABCVRRESA-N 0 0 333.432 2.094 10 10 EECERN Cc1cc(CC(=O)N[C@H]2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC000854939024 1292995030 /nfs/dbraw/zinc/99/50/30/1292995030.db2.gz WABOGIFVGUGQIP-QGZVFWFLSA-N 0 0 339.439 2.422 10 10 EECERN CCC[C@@H](O)[C@H](CO)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854943377 1292997502 /nfs/dbraw/zinc/99/75/02/1292997502.db2.gz IZBDNVHCUNWHDZ-RBUKOAKNSA-N 0 0 344.455 2.275 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)C(C)(C)n2cccn2)cc1 ZINC000855019998 1293035587 /nfs/dbraw/zinc/03/55/87/1293035587.db2.gz DFRGVPLVAVMNRH-UHFFFAOYSA-N 0 0 330.432 2.222 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(O)ccc3OC)C2)cc1 ZINC000855224146 1293116477 /nfs/dbraw/zinc/11/64/77/1293116477.db2.gz DXPWTHBHYVYTLA-CYBMUJFWSA-N 0 0 342.395 2.418 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc([C@@H](C)O)s3)C2)cc1 ZINC000855223216 1293116869 /nfs/dbraw/zinc/11/68/69/1293116869.db2.gz CTDCFRNZJIWOCK-VXGBXAGGSA-N 0 0 347.440 2.214 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)cc(=O)[nH]3)C2)cc1 ZINC000855226986 1293119027 /nfs/dbraw/zinc/11/90/27/1293119027.db2.gz SAYZRNFGDRVUQV-CYBMUJFWSA-N 0 0 327.384 2.113 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cn4ccnc4s3)C2)cc1 ZINC000855227957 1293119745 /nfs/dbraw/zinc/11/97/45/1293119745.db2.gz SGBBXRYUNQIARY-GFCCVEGCSA-N 0 0 342.424 2.413 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000855234899 1293123280 /nfs/dbraw/zinc/12/32/80/1293123280.db2.gz PSRJHFQACDTSFP-CQSZACIVSA-N 0 0 340.379 2.433 10 10 EECERN COCc1n[nH]c(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000855521839 1293247984 /nfs/dbraw/zinc/24/79/84/1293247984.db2.gz QLKNTNGZWNIAKN-UHFFFAOYSA-N 0 0 339.399 2.289 10 10 EECERN COC(=O)c1ccc2c(n1)CCCN2C(=O)/C=C(\C)c1cnccn1 ZINC000857661595 1293882201 /nfs/dbraw/zinc/88/22/01/1293882201.db2.gz HTXWSJLFWGJTFL-ZRDIBKRKSA-N 0 0 338.367 2.041 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857943267 1293961420 /nfs/dbraw/zinc/96/14/20/1293961420.db2.gz DIKCEXGQYYVZQW-RYUDHWBXSA-N 0 0 329.400 2.238 10 10 EECERN COc1cccc([C@@H](C)NC(c2ccnn2C)c2ccnn2C)c1O ZINC000858585751 1294160173 /nfs/dbraw/zinc/16/01/73/1294160173.db2.gz OGWUNSZUJJLZKS-GFCCVEGCSA-N 0 0 341.415 2.308 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC[C@H]3CCCOC3)C2)cc1 ZINC000858599490 1294164383 /nfs/dbraw/zinc/16/43/83/1294164383.db2.gz NJDGXLNDYJJRGZ-HZPDHXFCSA-N 0 0 347.459 2.390 10 10 EECERN COc1nc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)co1 ZINC000858666720 1294185205 /nfs/dbraw/zinc/18/52/05/1294185205.db2.gz FTXGLZNGJODSSE-UHFFFAOYSA-N 0 0 331.372 2.044 10 10 EECERN CCO[C@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000858987804 1294286374 /nfs/dbraw/zinc/28/63/74/1294286374.db2.gz FCGWASBIWWWOPC-QGZVFWFLSA-N 0 0 340.489 2.296 10 10 EECERN C[C@@H](OCC(=O)NCc1ccc2cccnc2c1O)c1nccn1C ZINC000862025754 1295660756 /nfs/dbraw/zinc/66/07/56/1295660756.db2.gz ABENEMJJIZFHCQ-GFCCVEGCSA-N 0 0 340.383 2.068 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3ncccc3N)CC2)cc1 ZINC001118932234 1308960621 /nfs/dbraw/zinc/96/06/21/1308960621.db2.gz SMTGTFYBCJLDAX-UHFFFAOYSA-N 0 0 326.400 2.025 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCC[C@](C)(O)COC ZINC000838635905 1315181837 /nfs/dbraw/zinc/18/18/37/1315181837.db2.gz GDKDKCKIEGTDDW-SFHVURJKSA-N 0 0 338.448 2.491 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCCC3)[C@@H]2CCC[C@@H]21 ZINC000840142070 1315306759 /nfs/dbraw/zinc/30/67/59/1315306759.db2.gz BPRWYSRSEQHMQM-AEFFLSMTSA-N 0 0 335.469 2.423 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)C2CCN(OC)CC2)c([N+](=O)[O-])c1 ZINC000840322920 1315351061 /nfs/dbraw/zinc/35/10/61/1315351061.db2.gz BNRGHVZQEUKDLO-FNORWQNLSA-N 0 0 349.387 2.243 10 10 EECERN CNC(=O)c1ccc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000840385260 1315359162 /nfs/dbraw/zinc/35/91/62/1315359162.db2.gz SZKBXKNTHQUPNQ-ZDUSSCGKSA-N 0 0 327.432 2.254 10 10 EECERN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1C(F)(F)F ZINC000840712793 1315402242 /nfs/dbraw/zinc/40/22/42/1315402242.db2.gz LZBSOEOEGBDDTA-UHFFFAOYSA-N 0 0 326.274 2.448 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001142979567 1315817759 /nfs/dbraw/zinc/81/77/59/1315817759.db2.gz DYRPACLMPSOREX-UHFFFAOYSA-N 0 0 337.278 2.278 10 10 EECERN CCn1c(=O)[nH]c2ccc(C(=O)NCc3cccc(O)c3O)cc21 ZINC001153797826 1316885725 /nfs/dbraw/zinc/88/57/25/1316885725.db2.gz FEXWTSTUOULRNV-UHFFFAOYSA-N 0 0 327.340 2.103 10 10 EECERN O=C(Cn1nc(C(F)F)cc1C1CC1)NCc1c(O)cccc1O ZINC001156885569 1318263279 /nfs/dbraw/zinc/26/32/79/1318263279.db2.gz KIOQUMKHPKCPNZ-UHFFFAOYSA-N 0 0 337.326 2.426 10 10 EECERN COc1ccc(N2CC[C@H](Nc3ccc(S(C)(=O)=O)cn3)C2)cc1 ZINC001261656802 1322148753 /nfs/dbraw/zinc/14/87/53/1322148753.db2.gz KVKQNVUOWOIZJB-ZDUSSCGKSA-N 0 0 347.440 2.185 10 10 EECERN CCn1cccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1=O ZINC001297264131 1329955376 /nfs/dbraw/zinc/95/53/76/1329955376.db2.gz OEEKFNNYRYUEIP-UHFFFAOYSA-N 0 0 344.392 2.424 10 10 EECERN COC(=O)c1cc(C(=O)NCc2c(O)ccc3ccccc32)no1 ZINC001304090164 1331376724 /nfs/dbraw/zinc/37/67/24/1331376724.db2.gz BAYGPSDTDRAORQ-UHFFFAOYSA-N 0 0 326.308 2.250 10 10 EECERN O=C(NC[C@H](O)c1c(F)cccc1Cl)c1c(F)ccc(O)c1O ZINC001306652600 1331480478 /nfs/dbraw/zinc/48/04/78/1331480478.db2.gz UILVGLAJEMQBIT-NSHDSACASA-N 0 0 343.713 2.493 10 10 EECERN COC(=O)c1cc(OCc2cccnc2[N+](=O)[O-])ccc1N(C)C ZINC000902616815 1331558225 /nfs/dbraw/zinc/55/82/25/1331558225.db2.gz GXARTJJLUCVJNU-UHFFFAOYSA-N 0 0 331.328 2.421 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001328814225 1334528480 /nfs/dbraw/zinc/52/84/80/1334528480.db2.gz WXYSDAUIIYZODT-TUVASFSCSA-N 0 0 347.411 2.124 10 10 EECERN CC(C)[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC001329188190 1334602940 /nfs/dbraw/zinc/60/29/40/1334602940.db2.gz HXNOHCGFCAYLOU-KRWDZBQOSA-N 0 0 331.460 2.262 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@H](CC(=O)[O-])C2CCOCC2)cc1F ZINC001329311238 1334625196 /nfs/dbraw/zinc/62/51/96/1334625196.db2.gz RSBULUAUXGQOES-OAHLLOKOSA-N 0 0 342.386 2.390 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@H](OC)C1 ZINC001333933273 1336176445 /nfs/dbraw/zinc/17/64/45/1336176445.db2.gz ZOYWQSURKGLRLA-KOMQPUFPSA-N 0 0 348.443 2.062 10 10 EECERN CCC(=O)N(CC)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001340112029 1337123821 /nfs/dbraw/zinc/12/38/21/1337123821.db2.gz AUACJFDHQCMJBJ-LLVKDONJSA-N 0 0 333.392 2.226 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]2C2CCCC2)cc1F ZINC001340602907 1337213728 /nfs/dbraw/zinc/21/37/28/1337213728.db2.gz IXHHEGUIZRMQET-MRXNPFEDSA-N 0 0 347.434 2.299 10 10 EECERN COc1ccc(C[NH2+][C@H]2C=CC[C@H](C(=O)[O-])C2)cc1Cn1cccn1 ZINC001350654172 1337732560 /nfs/dbraw/zinc/73/25/60/1337732560.db2.gz VYJIQDUWQSMKTH-RDJZCZTQSA-N 0 0 341.411 2.449 10 10 EECERN COc1ccc(N2CC[C@H](N3C(=O)CN(C4CCCC4)C3=O)C2)cc1 ZINC000849358583 1339154289 /nfs/dbraw/zinc/15/42/89/1339154289.db2.gz ZGTBAVBDVSWUAM-INIZCTEOSA-N 0 0 343.427 2.481 10 10 EECERN O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1c(F)ccc(O)c1O ZINC001611237740 1352297392 /nfs/dbraw/zinc/29/73/92/1352297392.db2.gz QTNHJAUJBNNXTN-GFCCVEGCSA-N 0 0 343.713 2.493 10 10 EECERN CN(CC1=NS(=O)(=O)c2ccccc21)c1ccc2c(c1)OCO2 ZINC001616389103 1352328776 /nfs/dbraw/zinc/32/87/76/1352328776.db2.gz DRWFUCQREGFULA-UHFFFAOYSA-N 0 0 330.365 2.043 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)Cc2ccccc2F)cc1 ZINC001596272987 1349904406 /nfs/dbraw/zinc/90/44/06/1349904406.db2.gz IRBJAQSDJBEJGB-AWEZNQCLSA-N 0 0 344.346 2.322 10 10 EECERN CCC/C=C/[C@H](O)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001596733173 1349911563 /nfs/dbraw/zinc/91/15/63/1349911563.db2.gz MJSPUTMNFAHFDC-DKFQHHCZSA-N 0 0 332.444 2.451 10 10 EECERN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001598328910 1349937189 /nfs/dbraw/zinc/93/71/89/1349937189.db2.gz ARFJPYNUMZXVJA-WVWOOGAGSA-N 0 0 344.371 2.167 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001622753356 1352388794 /nfs/dbraw/zinc/38/87/94/1352388794.db2.gz SILMYIMAQKNKCM-UHFFFAOYSA-N 0 0 342.273 2.190 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)cc2n[nH]nc21 ZINC001623573816 1352400325 /nfs/dbraw/zinc/40/03/25/1352400325.db2.gz FBZAAIIOLXJSTJ-UHFFFAOYSA-N 0 0 335.335 2.218 10 10 EECERN O=C(c1ccc(O)cn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001623640441 1352401632 /nfs/dbraw/zinc/40/16/32/1352401632.db2.gz KDSNHICFFBYRGK-OAHLLOKOSA-N 0 0 328.368 2.314 10 10 EECERN COc1cccn2ncc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c12 ZINC001624954888 1352435682 /nfs/dbraw/zinc/43/56/82/1352435682.db2.gz MKHZTTYNIPTEFE-NSHDSACASA-N 0 0 341.367 2.115 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1nscc1Br ZINC001626849115 1352474969 /nfs/dbraw/zinc/47/49/69/1352474969.db2.gz KKWRIZULHZZZJX-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN COc1ccc2c(c1)CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C2 ZINC001631465360 1352584351 /nfs/dbraw/zinc/58/43/51/1352584351.db2.gz QWJKMUHFKMNFQX-HNNXBMFYSA-N 0 0 327.380 2.323 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncnc2sccc21 ZINC001633819563 1352617996 /nfs/dbraw/zinc/61/79/96/1352617996.db2.gz RVQNRIWIOGIZLV-VIFPVBQESA-N 0 0 329.381 2.464 10 10 EECERN C[C@@H](NC(=O)N(C)C1CCS(=O)CC1)c1ccc(N(C)C)cc1 ZINC001634434704 1352628584 /nfs/dbraw/zinc/62/85/84/1352628584.db2.gz FOQZKMNVLJMKFA-OOVMHXLDSA-N 0 0 337.489 2.366 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)NCc1nc2c(cccc2F)[nH]1 ZINC001636598898 1352667528 /nfs/dbraw/zinc/66/75/28/1352667528.db2.gz BRFWYTQXSHZKCN-ALCCZGGFSA-N 0 0 327.315 2.443 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001651225294 1354044950 /nfs/dbraw/zinc/04/49/50/1354044950.db2.gz DIEGRVBJWZPMGD-UHFFFAOYSA-N 0 0 339.351 2.418 10 10 EECERN Cc1cc(C(=O)N2CC(CO)(CO)C2)c(C)n1-c1cccc(Cl)c1 ZINC001651649386 1354059499 /nfs/dbraw/zinc/05/94/99/1354059499.db2.gz AMKSRWFKBLQLLH-UHFFFAOYSA-N 0 0 348.830 2.174 10 10 EECERN COc1ccc(N(C)CC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC001654958097 1354161786 /nfs/dbraw/zinc/16/17/86/1354161786.db2.gz YEWRLVJVKZOCDH-UHFFFAOYSA-N 0 0 325.368 2.117 10 10 EECERN Cc1cc(CNC(=O)N2CCOCCN2)c(C)n1-c1cccc(C)c1 ZINC001675115510 1356935370 /nfs/dbraw/zinc/93/53/70/1356935370.db2.gz NIUYHSIUDWEONU-UHFFFAOYSA-N 0 0 342.443 2.449 10 10 EECERN NC(=O)Cc1ccc(CNC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001681692427 1358057094 /nfs/dbraw/zinc/05/70/94/1358057094.db2.gz ZEBSVMKBKYIRFG-UHFFFAOYSA-N 0 0 347.802 2.073 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cncc(OCCO)n1 ZINC000840384994 782605167 /nfs/dbraw/zinc/60/51/67/782605167.db2.gz RKZWSLVOYMGEOO-CQSZACIVSA-N 0 0 330.432 2.265 10 10 EECERN COC(=O)CC1CC(NC(=O)NCCCSc2nccs2)C1 ZINC000921446733 773378999 /nfs/dbraw/zinc/37/89/99/773378999.db2.gz OLDZXUUXUKEOTB-UHFFFAOYSA-N 0 0 343.474 2.266 10 10 EECERN COc1cnccc1[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168159 785442646 /nfs/dbraw/zinc/44/26/46/785442646.db2.gz MCHAFFWRVDWUPR-GFCCVEGCSA-N 0 0 341.367 2.321 10 10 EECERN C[C@@H](NC(=O)c1cc2c(cn1)OCCO2)c1ccc(N(C)C)cc1 ZINC000819502853 785569580 /nfs/dbraw/zinc/56/95/80/785569580.db2.gz ZJTRIZWXAWBRFT-GFCCVEGCSA-N 0 0 327.384 2.410 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnc(C)n3)C2)cc1 ZINC000822602036 787282301 /nfs/dbraw/zinc/28/23/01/787282301.db2.gz GWFVXBZOHRBWCU-CYBMUJFWSA-N 0 0 327.388 2.194 10 10 EECERN CC1(C)CC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000822938772 787470932 /nfs/dbraw/zinc/47/09/32/787470932.db2.gz XDFQZMOEFPPVEN-RDJZCZTQSA-N 0 0 343.471 2.441 10 10 EECERN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(N(C)C)nn1 ZINC000824530337 788202875 /nfs/dbraw/zinc/20/28/75/788202875.db2.gz YIAORPXUNVFMKY-JTQLQIEISA-N 0 0 345.403 2.015 10 10 EECERN COC(=O)[C@](C)(CCF)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912518466 788220247 /nfs/dbraw/zinc/22/02/47/788220247.db2.gz AFSMJNQRPVAKMA-HNNXBMFYSA-N 0 0 341.360 2.334 10 10 EECERN COc1ccc(N(C)CCN(C)Cc2nnc(C)n2C2CC2)cc1 ZINC000844400299 789065220 /nfs/dbraw/zinc/06/52/20/789065220.db2.gz ZQRVHHJWIMMXLX-UHFFFAOYSA-N 0 0 329.448 2.498 10 10 EECERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H]1C1CCC1)cc2=O ZINC000846247266 790118448 /nfs/dbraw/zinc/11/84/48/790118448.db2.gz SNXKAORASOYJGP-AWEZNQCLSA-N 0 0 330.388 2.288 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000846441711 790183393 /nfs/dbraw/zinc/18/33/93/790183393.db2.gz DEWFVRZHQTUJDM-MRXNPFEDSA-N 0 0 342.443 2.433 10 10 EECERN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001148396954 792385060 /nfs/dbraw/zinc/38/50/60/792385060.db2.gz DYOUKKMDTWXPFP-ZJUUUORDSA-N 0 0 334.397 2.086 10 10 EECERN O=C(NCc1cccc(O)c1O)C1(c2ccccc2)CCOCC1 ZINC000952994656 796141463 /nfs/dbraw/zinc/14/14/63/796141463.db2.gz SOVGVJZMQONGBR-UHFFFAOYSA-N 0 0 327.380 2.462 10 10 EECERN CC(C)[C@H](O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000153739271 796470573 /nfs/dbraw/zinc/47/05/73/796470573.db2.gz SGXLKXAEJMRVEU-MRXNPFEDSA-N 0 0 337.489 2.056 10 10 EECERN CC(C)(C)OC(=O)NCCCNC(=O)NCc1c(O)cccc1F ZINC000916689322 797766724 /nfs/dbraw/zinc/76/67/24/797766724.db2.gz ADWNZMNQIRASKW-UHFFFAOYSA-N 0 0 341.383 2.245 10 10 EECERN CCc1onc(C)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917707737 798331047 /nfs/dbraw/zinc/33/10/47/798331047.db2.gz ZGSIDPQALRBPQM-UHFFFAOYSA-N 0 0 347.390 2.451 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N3CC=C[C@H]3CO)ccc21 ZINC000922266931 800145348 /nfs/dbraw/zinc/14/53/48/800145348.db2.gz JZKIQWXDCWRYPI-INIZCTEOSA-N 0 0 328.412 2.277 10 10 EECERN CC1(C)C(C)(C)C1(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001179990852 800203067 /nfs/dbraw/zinc/20/30/67/800203067.db2.gz JUMSLYYRMQMHRH-UHFFFAOYSA-N 0 0 340.445 2.318 10 10 EECERN Cc1cc(Br)c(O)c(CN2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000787416292 807107748 /nfs/dbraw/zinc/10/77/48/807107748.db2.gz AQUFLWTVGVDQQY-PWSUYJOCSA-N 0 0 330.222 2.045 10 10 EECERN COc1ccc(CNC(=O)NCc2nccn2CC(C)C)c(O)c1 ZINC000792958119 810089599 /nfs/dbraw/zinc/08/95/99/810089599.db2.gz YNFQBAYNLRLZMV-UHFFFAOYSA-N 0 0 332.404 2.253 10 10 EECERN O=C(NCc1ccon1)NCc1cc(Br)ccc1O ZINC000805167609 811168763 /nfs/dbraw/zinc/16/87/63/811168763.db2.gz CNCATMBLJRNNOS-UHFFFAOYSA-N 0 0 326.150 2.142 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](CO)c1cccnc1 ZINC000806819159 812002243 /nfs/dbraw/zinc/00/22/43/812002243.db2.gz ASMASYJTDLQMBC-KRWDZBQOSA-N 0 0 342.443 2.031 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000807075097 812087013 /nfs/dbraw/zinc/08/70/13/812087013.db2.gz PURVAHRIFRRIKS-RDJZCZTQSA-N 0 0 348.443 2.205 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000808533510 812703683 /nfs/dbraw/zinc/70/36/83/812703683.db2.gz ORIPLBAYVNREDK-UHFFFAOYSA-N 0 0 325.342 2.410 10 10 EECERN Cc1ccc(Br)c(C(=O)NCc2ccc(O)c(O)c2)n1 ZINC001445902476 1091826232 /nfs/dbraw/zinc/82/62/32/1091826232.db2.gz QVXYWXJEVMARNH-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN O=C(N[C@H]1CCC2(C1)OCCO2)c1cc2cc(O)c(O)cc2s1 ZINC001446894849 1101568454 /nfs/dbraw/zinc/56/84/54/1101568454.db2.gz TUEGEQCMJZJHKA-JTQLQIEISA-N 0 0 335.381 2.338 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cn(Cc3cccc(F)c3)nn2)c1 ZINC001453648418 1106361843 /nfs/dbraw/zinc/36/18/43/1106361843.db2.gz IEHYFDBJDBNMIK-UHFFFAOYSA-N 0 0 340.358 2.410 10 10 EECERN COc1cc(CCC(=O)NCc2cc(O)ccc2O)cc(OC)c1O ZINC001455352427 1108469556 /nfs/dbraw/zinc/46/95/56/1108469556.db2.gz IFGFJKCOYZXGTO-UHFFFAOYSA-N 0 0 347.367 2.070 10 10 EECERN Nc1nc(Cl)c(N)c(N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC001458261513 1109850595 /nfs/dbraw/zinc/85/05/95/1109850595.db2.gz LTFYVMPQKZCYKH-NSHDSACASA-N 0 0 349.822 2.186 10 10 EECERN CCCC[C@@H](O)CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001464451122 1110394644 /nfs/dbraw/zinc/39/46/44/1110394644.db2.gz LGUIOHPERNKMKN-GOSISDBHSA-N 0 0 334.460 2.471 10 10 EECERN Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c(O)c1O ZINC001466745592 1110442544 /nfs/dbraw/zinc/44/25/44/1110442544.db2.gz NMYVXBYOEKQYGK-UHFFFAOYSA-N 0 0 338.367 2.164 10 10 EECERN O=C(CCc1nc(C2CCCC2)no1)NCc1ccc(O)cc1O ZINC001469159009 1110486197 /nfs/dbraw/zinc/48/61/97/1110486197.db2.gz IYHSSYXHZQAGTJ-UHFFFAOYSA-N 0 0 331.372 2.387 10 10 EECERN Cc1cc(CNC(=O)Cn2nccc2N)c(C)n1-c1cccc(C)c1 ZINC001471018876 1110516050 /nfs/dbraw/zinc/51/60/50/1110516050.db2.gz XGMRKNGOLVFCGV-UHFFFAOYSA-N 0 0 337.427 2.498 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCc2nc(C(F)F)no2)c1 ZINC001471393886 1110521937 /nfs/dbraw/zinc/52/19/37/1110521937.db2.gz IIUOFQCIUPEFCG-ZETCQYMHSA-N 0 0 342.302 2.282 10 10 EECERN CNC(=O)c1cccc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC001471961076 1110536349 /nfs/dbraw/zinc/53/63/49/1110536349.db2.gz WZMDLFVIXKDLFR-CLFYSBASSA-N 0 0 326.352 2.134 10 10 EECERN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085496 1110541838 /nfs/dbraw/zinc/54/18/38/1110541838.db2.gz UTJIYBYPMAOHAL-UHFFFAOYSA-N 0 0 326.312 2.117 10 10 EECERN CC(C)(C)c1nnc(CNC(=O)NCc2cccc(Cl)c2O)[nH]1 ZINC001478797387 1110657661 /nfs/dbraw/zinc/65/76/61/1110657661.db2.gz IHYMRMRDBUNKCC-UHFFFAOYSA-N 0 0 337.811 2.461 10 10 EECERN CC1(C)C[C@@](C)(NC(=O)NCc2cccc(Cl)c2O)C(=O)O1 ZINC001520140023 1119131073 /nfs/dbraw/zinc/13/10/73/1119131073.db2.gz UYZUBNVNMFGXBI-OAHLLOKOSA-N 0 0 326.780 2.329 10 10 EECERN CNC(=O)[C@H]1CN(C(=O)/C(C)=C/c2cccnc2)c2ccccc2O1 ZINC001523461323 1119797662 /nfs/dbraw/zinc/79/76/62/1119797662.db2.gz KDORMWKJCNYNFQ-JIIJFUIFSA-N 0 0 337.379 2.025 10 10 EECERN CN(C)C(=O)/C=C/C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001539336501 1124053308 /nfs/dbraw/zinc/05/33/08/1124053308.db2.gz LPIBKCYWKRIHGA-VAWYXSNFSA-N 0 0 329.444 2.280 10 10 EECERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCS(=O)CC1 ZINC001543426122 1124129754 /nfs/dbraw/zinc/12/97/54/1124129754.db2.gz ARCMTJRBALVUBR-UHFFFAOYSA-N 0 0 339.438 2.296 10 10 EECERN COC(=O)Cc1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001568936830 1124968920 /nfs/dbraw/zinc/96/89/20/1124968920.db2.gz PERWRACDNDYFIQ-VQHVLOKHSA-N 0 0 341.363 2.143 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CCO[C@H](C4CC4)C3)ccc21 ZINC000369965882 530065584 /nfs/dbraw/zinc/06/55/84/530065584.db2.gz SYSCFEBDNMLOOH-SFHVURJKSA-N 0 0 329.444 2.389 10 10 EECERN Cc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)o1 ZINC000096935895 201378221 /nfs/dbraw/zinc/37/82/21/201378221.db2.gz XENHUEXBGVJUGA-JLHYYAGUSA-N 0 0 338.454 2.121 10 10 EECERN CCC(=O)NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000005241509 201644626 /nfs/dbraw/zinc/64/46/26/201644626.db2.gz MFQPWEOTQIQSSS-JXMROGBWSA-N 0 0 337.382 2.237 10 10 EECERN CN(Cc1ccccc1O)c1ccc(C(=O)NC2CCCC2)nn1 ZINC000089635545 462700573 /nfs/dbraw/zinc/70/05/73/462700573.db2.gz RVBNDALNSYBKIO-UHFFFAOYSA-N 0 0 326.400 2.491 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3CCNC(=O)CC3)c2C)cc1 ZINC000065902899 462838745 /nfs/dbraw/zinc/83/87/45/462838745.db2.gz SOLRYVSBFJZEPH-UHFFFAOYSA-N 0 0 341.411 2.065 10 10 EECERN COc1cccc(CNC(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1O ZINC000068489338 463143449 /nfs/dbraw/zinc/14/34/49/463143449.db2.gz DBJMUHAKCOHABK-MRXNPFEDSA-N 0 0 336.432 2.204 10 10 EECERN COc1ccc2c(c1)[C@]1(C)CN(C3CCCCC3)C(=O)[C@@]1(N)N2C ZINC000032106192 463365108 /nfs/dbraw/zinc/36/51/08/463365108.db2.gz FDSAOMXHFZKROP-RBUKOAKNSA-N 0 0 329.444 2.233 10 10 EECERN COc1ccccc1[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278573598 463970539 /nfs/dbraw/zinc/97/05/39/463970539.db2.gz DDEBOPYCZXEONT-CQSZACIVSA-N 0 0 348.355 2.141 10 10 EECERN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCc2ccccc2O)C1 ZINC000289723048 464092476 /nfs/dbraw/zinc/09/24/76/464092476.db2.gz CGORVKCNVMXTCB-AWEZNQCLSA-N 0 0 338.379 2.213 10 10 EECERN CN(C)c1ccc(CNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000279621264 464118276 /nfs/dbraw/zinc/11/82/76/464118276.db2.gz JZEXSSFPDTZBNI-LJQANCHMSA-N 0 0 347.459 2.232 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000270606430 464262305 /nfs/dbraw/zinc/26/23/05/464262305.db2.gz HNCCPWSEMGNVDM-LBPRGKRZSA-N 0 0 332.429 2.038 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cnc2cnccc2c1 ZINC000281190232 464366094 /nfs/dbraw/zinc/36/60/94/464366094.db2.gz JJJITUHWTPAFTB-UHFFFAOYSA-N 0 0 348.406 2.396 10 10 EECERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCCn2nccc21 ZINC000264677963 464418418 /nfs/dbraw/zinc/41/84/18/464418418.db2.gz YRZRZILUYQPIHP-QPJJXVBHSA-N 0 0 338.411 2.170 10 10 EECERN C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273410958 464715171 /nfs/dbraw/zinc/71/51/71/464715171.db2.gz PNQHZPUHHVFBJD-QWHCGFSZSA-N 0 0 343.387 2.410 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)Cn1cncn1 ZINC000266812657 464830112 /nfs/dbraw/zinc/83/01/12/464830112.db2.gz KGYZFTOHLVIEEK-OAHLLOKOSA-N 0 0 344.463 2.353 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000266853317 464845752 /nfs/dbraw/zinc/84/57/52/464845752.db2.gz QABVZHOUQUPLFV-OAHLLOKOSA-N 0 0 325.412 2.338 10 10 EECERN Cc1cc(C(=O)CN2C[C@@H](O)C[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000184723081 465022296 /nfs/dbraw/zinc/02/22/96/465022296.db2.gz CDBNGOUOEYYDSE-MSOLQXFVSA-N 0 0 342.439 2.013 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1COc2ccc(F)cc2C1 ZINC000366487328 465760341 /nfs/dbraw/zinc/76/03/41/465760341.db2.gz FXFYHVGVYRKNER-XCVZWFEFSA-N 0 0 329.327 2.370 10 10 EECERN COc1cccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000366536671 465789683 /nfs/dbraw/zinc/78/96/83/465789683.db2.gz SQTIPZGNYAZMRG-CQSZACIVSA-N 0 0 327.446 2.190 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000301749200 466023496 /nfs/dbraw/zinc/02/34/96/466023496.db2.gz ADHPHSOKYCLMGE-SKVWCYETSA-N 0 0 334.372 2.378 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC([C@@H]4CCCO4)CC3)cc2N1 ZINC000302554007 466152905 /nfs/dbraw/zinc/15/29/05/466152905.db2.gz KQMABYCCQLDLJJ-HNNXBMFYSA-N 0 0 347.371 2.321 10 10 EECERN C[C@H](NC(=O)N1CCN(CC(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000773614163 577354560 /nfs/dbraw/zinc/35/45/60/577354560.db2.gz RXFXRCHMCMDCQC-ZDUSSCGKSA-N 0 0 340.418 2.406 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000773740220 577362024 /nfs/dbraw/zinc/36/20/24/577362024.db2.gz AXYQSFRYEYFCBQ-LBPRGKRZSA-N 0 0 338.367 2.040 10 10 EECERN Cc1nn(CC(C)C)c(C)c1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000768901274 577565305 /nfs/dbraw/zinc/56/53/05/577565305.db2.gz YQGBEZDLGNVWQG-UHFFFAOYSA-N 0 0 345.443 2.469 10 10 EECERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](Cc2ccccn2)C1=O ZINC000761578196 577686301 /nfs/dbraw/zinc/68/63/01/577686301.db2.gz VOTNZVDUOQMMBB-DYVFJYSZSA-N 0 0 338.411 2.372 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC(OCC(F)F)C2)c([N+](=O)[O-])c1 ZINC000751258513 577750048 /nfs/dbraw/zinc/75/00/48/577750048.db2.gz RGRNDACKKLGINJ-HWKANZROSA-N 0 0 342.298 2.251 10 10 EECERN C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756609739 577847488 /nfs/dbraw/zinc/84/74/88/577847488.db2.gz FYPGXBWJVKJBLK-QWHCGFSZSA-N 0 0 345.403 2.354 10 10 EECERN CCc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)no1 ZINC000743958165 577891329 /nfs/dbraw/zinc/89/13/29/577891329.db2.gz OVYVRLIBKISJTD-UHFFFAOYSA-N 0 0 343.383 2.076 10 10 EECERN O=C(NCC[C@H](O)C(F)(F)F)NCc1ccc(N2CC=CC2)cc1 ZINC000740919507 578109258 /nfs/dbraw/zinc/10/92/58/578109258.db2.gz YJUBHMSOYVJZLJ-AWEZNQCLSA-N 0 0 343.349 2.175 10 10 EECERN CC[S@@](=O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000741421199 578119500 /nfs/dbraw/zinc/11/95/00/578119500.db2.gz ODQJKLNKVCBSKC-HSZRJFAPSA-N 0 0 337.489 2.195 10 10 EECERN CC[S@@](=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735084683 578133076 /nfs/dbraw/zinc/13/30/76/578133076.db2.gz PBDFARAZKZZFQN-HSZRJFAPSA-N 0 0 339.461 2.443 10 10 EECERN CCCn1cc(C(=O)NCc2cc(Br)ccc2O)nn1 ZINC000804738212 675611837 /nfs/dbraw/zinc/61/18/37/675611837.db2.gz HHOPOYLQLRGZCA-UHFFFAOYSA-N 0 0 339.193 2.086 10 10 EECERN COCCn1cc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cn1 ZINC000121148737 678744845 /nfs/dbraw/zinc/74/48/45/678744845.db2.gz XURDXTHXKBXMEP-UHFFFAOYSA-N 0 0 339.355 2.346 10 10 EECERN COC(=O)c1c(CN2CC3(C2)CCCO3)c2cc(F)ccc2n1C ZINC000895394364 684580734 /nfs/dbraw/zinc/58/07/34/684580734.db2.gz ZBOYGKIEPYZDKC-UHFFFAOYSA-N 0 0 332.375 2.469 10 10 EECERN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H](C)c3ccccc3O)[C@@H]2C1 ZINC000897744382 691777847 /nfs/dbraw/zinc/77/78/47/691777847.db2.gz ZRCMFGRYYNWHAR-OEMOEHNSSA-N 0 0 332.400 2.340 10 10 EECERN CCNC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC000897845979 691800492 /nfs/dbraw/zinc/80/04/92/691800492.db2.gz VJAJNJWFOGMBAS-AWEZNQCLSA-N 0 0 336.413 2.203 10 10 EECERN O=C(N[C@@H]1CCn2cncc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000898096932 691879359 /nfs/dbraw/zinc/87/93/59/691879359.db2.gz BAMPPXWQGXLFRA-SNVBAGLBSA-N 0 0 329.381 2.254 10 10 EECERN CN(C)c1ccc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000905318236 694600124 /nfs/dbraw/zinc/60/01/24/694600124.db2.gz OIZIOHGZQJXFED-LLVKDONJSA-N 0 0 339.650 2.490 10 10 EECERN Cc1cc(CNC(=O)N2CCNC(=O)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001687286349 1177262567 /nfs/dbraw/zinc/26/25/67/1177262567.db2.gz FGFSQGYIWKHNTA-HNNXBMFYSA-N 0 0 340.427 2.124 10 10 EECERN C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1O ZINC001302537913 1193549652 /nfs/dbraw/zinc/54/96/52/1193549652.db2.gz AAZHDNCTPBEAJJ-NSHDSACASA-N 0 0 334.397 2.255 10 10 EECERN Oc1cc2c(cc1CN1CCS[C@@H](C(F)(F)F)C1)[C@H](O)CO2 ZINC000905705462 1189875027 /nfs/dbraw/zinc/87/50/27/1189875027.db2.gz NQEAYDMNKHDLKO-DGCLKSJQSA-N 0 0 335.347 2.298 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](Cc2cncs2)C1=O ZINC000871899187 1197960897 /nfs/dbraw/zinc/96/08/97/1197960897.db2.gz LGAIZNMANXXGSV-OAHLLOKOSA-N 0 0 344.440 2.181 10 10 EECERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H](C)O1 ZINC000864931771 1198005084 /nfs/dbraw/zinc/00/50/84/1198005084.db2.gz OQJATCHGCMZUMT-VNHYZAJKSA-N 0 0 336.407 2.092 10 10 EECERN O=C(NCc1ccccc1O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001545682118 1198931341 /nfs/dbraw/zinc/93/13/41/1198931341.db2.gz QSZYLLOWCUHEGX-UHFFFAOYSA-N 0 0 341.342 2.331 10 10 EECERN C[C@@H]1C(=O)N(C)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000825958117 1199908112 /nfs/dbraw/zinc/90/81/12/1199908112.db2.gz WVFDRZZONBKRJP-OAHLLOKOSA-N 0 0 344.459 2.253 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CC2(CO1)CCOCC2 ZINC000869443027 1200086149 /nfs/dbraw/zinc/08/61/49/1200086149.db2.gz IVZSLTUMVVMJDN-KWEXDPCDSA-N 0 0 334.368 2.240 10 10 EECERN Cc1nn(C)c(C)c1-c1cc(C(=O)N2Cc3cccc(O)c3C2)[nH]n1 ZINC000871201548 1201097969 /nfs/dbraw/zinc/09/79/69/1201097969.db2.gz WQNPUGRDJGFFPF-UHFFFAOYSA-N 0 0 337.383 2.289 10 10 EECERN CON(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000871244553 1201120152 /nfs/dbraw/zinc/12/01/52/1201120152.db2.gz FAFLUYYEGVUIDE-GXMKHXEJSA-N 0 0 337.372 2.231 10 10 EECERN C[C@H]1CCCc2nc(S(=O)(=O)N3Cc4cccc(O)c4C3)cn21 ZINC000867691510 1201659995 /nfs/dbraw/zinc/65/99/95/1201659995.db2.gz YPUYLAPUGMLJRG-NSHDSACASA-N 0 0 333.413 2.191 10 10 EECERN C[C@H](NC(=O)NC[C@H]1CCCN1CC(F)F)c1ccccc1O ZINC000868803713 1201882906 /nfs/dbraw/zinc/88/29/06/1201882906.db2.gz MWFIATCZNQWVKN-NWDGAFQWSA-N 0 0 327.375 2.482 10 10 EECERN CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc2cccnc2c1O ZINC000868937268 1201908898 /nfs/dbraw/zinc/90/88/98/1201908898.db2.gz HYBQKLPHVBTLQV-GDBMZVCRSA-N 0 0 344.411 2.388 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nnc([C@H]2CCCO2)s1 ZINC001649171291 1202443525 /nfs/dbraw/zinc/44/35/25/1202443525.db2.gz YKLNRVDYYXQVDX-FVOPLDGLSA-N 0 0 333.369 2.453 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CC(=O)N(C)C1 ZINC000924726814 1206024325 /nfs/dbraw/zinc/02/43/25/1206024325.db2.gz PNODUPZHWFKPNL-MRXNPFEDSA-N 0 0 346.475 2.153 10 10 EECERN CC[C@H](C)NC(=O)CN(CC(=O)N[C@@H](C)CC)c1ccc(OC)cc1 ZINC000047549781 1208416987 /nfs/dbraw/zinc/41/69/87/1208416987.db2.gz DQZMNNYKVCIRGU-GJZGRUSLSA-N 0 0 349.475 2.331 10 10 EECERN Cc1nn(C)c(C)c1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000192719652 1210585913 /nfs/dbraw/zinc/58/59/13/1210585913.db2.gz DBARSGDMCYOBEH-UHFFFAOYSA-N 0 0 329.448 2.145 10 10 EECERN CCC(C)(C)NC(=O)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866023 1211581133 /nfs/dbraw/zinc/58/11/33/1211581133.db2.gz RUPWICLDVFSOOJ-UHFFFAOYSA-N 0 0 337.439 2.261 10 10 EECERN CCN1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1=O ZINC000802530731 1237601652 /nfs/dbraw/zinc/60/16/52/1237601652.db2.gz AHLGKTKSGWQZIO-KRWDZBQOSA-N 0 0 344.459 2.047 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1F ZINC000803662511 1241193773 /nfs/dbraw/zinc/19/37/73/1241193773.db2.gz CHTDPSHYQKLVGJ-HUUCEWRRSA-N 0 0 347.434 2.157 10 10 EECERN CCOCc1cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)ccc1OC ZINC000850367625 1277202657 /nfs/dbraw/zinc/20/26/57/1277202657.db2.gz AWXUQHWBZFVVMY-CJNGLKHVSA-N 0 0 341.473 2.287 10 10 EECERN COc1ccnc(CNCc2ccc(N3CCOCC3)c(F)c2)c1F ZINC000850380935 1277208963 /nfs/dbraw/zinc/20/89/63/1277208963.db2.gz QYYYTRLHKKUZCX-UHFFFAOYSA-N 0 0 349.381 2.495 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1[nH]ncc1C(F)(F)F ZINC000867302732 1285523448 /nfs/dbraw/zinc/52/34/48/1285523448.db2.gz UGGDVWZYMTWYFV-ZETCQYMHSA-N 0 0 329.278 2.201 10 10 EECERN CCO[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000852014118 1291953649 /nfs/dbraw/zinc/95/36/49/1291953649.db2.gz ZLQBHPWUHPDKGC-ZVZYQTTQSA-N 0 0 347.459 2.451 10 10 EECERN COC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000852140317 1292009529 /nfs/dbraw/zinc/00/95/29/1292009529.db2.gz HSXVMZVMITYSPJ-WMLDXEAASA-N 0 0 335.448 2.244 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)O[C@@H](C)[C@@H]3C)C2)cc1 ZINC000852451946 1292117869 /nfs/dbraw/zinc/11/78/69/1292117869.db2.gz RJISWTWKKXPNHV-VGWMRTNUSA-N 0 0 347.459 2.481 10 10 EECERN CO[C@@]1(C)C[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000852685083 1292164242 /nfs/dbraw/zinc/16/42/42/1292164242.db2.gz AGLDNBYXPNTINV-YPMHNXCESA-N 0 0 329.194 2.131 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C(C)=O)c[nH]3)C2)cc1 ZINC000853817444 1292469370 /nfs/dbraw/zinc/46/93/70/1292469370.db2.gz FLQOZPKBKPIMBE-AWEZNQCLSA-N 0 0 327.384 2.235 10 10 EECERN C[C@]12COC[C@H]1CN(C(=O)NCCCSc1nccs1)C2 ZINC000853854524 1292490467 /nfs/dbraw/zinc/49/04/67/1292490467.db2.gz BIYJMULYIGFZQT-RISCZKNCSA-N 0 0 327.475 2.303 10 10 EECERN Nc1ccc(Cc2noc(-c3ccnn3C3CCOCC3)n2)cc1 ZINC000854135267 1292640136 /nfs/dbraw/zinc/64/01/36/1292640136.db2.gz YRYCYJLNLDIBJO-UHFFFAOYSA-N 0 0 325.372 2.458 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](CO)CC3)C2)cc1 ZINC000854296705 1292707616 /nfs/dbraw/zinc/70/76/16/1292707616.db2.gz GGGCOQSERDEBQQ-JKSUJKDBSA-N 0 0 347.459 2.078 10 10 EECERN CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)[C@@H](C)CO1 ZINC000854297965 1292709269 /nfs/dbraw/zinc/70/92/69/1292709269.db2.gz YMNGVGBJADWFHT-YQQAZPJKSA-N 0 0 347.459 2.483 10 10 EECERN COC(=O)[C@H](CF)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854475117 1292798131 /nfs/dbraw/zinc/79/81/31/1292798131.db2.gz RUJWCHCCFIFDCH-INIZCTEOSA-N 0 0 332.375 2.264 10 10 EECERN CCON(C)C(=O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000855024802 1293038064 /nfs/dbraw/zinc/03/80/64/1293038064.db2.gz WAFBLGQMTZRSCE-UHFFFAOYSA-N 0 0 343.427 2.163 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnc([C@H](C)O)s3)C2)cc1 ZINC000855223215 1293116676 /nfs/dbraw/zinc/11/66/76/1293116676.db2.gz CTDCFRNZJIWOCK-RYUDHWBXSA-N 0 0 347.440 2.214 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(O)cc3O)C2)cc1 ZINC000855228177 1293119720 /nfs/dbraw/zinc/11/97/20/1293119720.db2.gz WZFJDRDBDOXBBT-GFCCVEGCSA-N 0 0 328.368 2.115 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2)cc1 ZINC000855227917 1293119845 /nfs/dbraw/zinc/11/98/45/1293119845.db2.gz RPJXMIULUKWGIX-CYBMUJFWSA-N 0 0 326.400 2.304 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cccnc3N(C)C)C2)cc1 ZINC000855231760 1293121957 /nfs/dbraw/zinc/12/19/57/1293121957.db2.gz YBJHTJRHGUBKMT-AWEZNQCLSA-N 0 0 340.427 2.165 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc4c3OCO4)C2)cc1 ZINC000855232582 1293122024 /nfs/dbraw/zinc/12/20/24/1293122024.db2.gz SEVFMQZWKLUKFV-CYBMUJFWSA-N 0 0 340.379 2.433 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)/C=C\C3CCOCC3)C2)cc1 ZINC000855231653 1293122193 /nfs/dbraw/zinc/12/21/93/1293122193.db2.gz NDXXAFQLDNVKEA-CGGYKVPPSA-N 0 0 330.428 2.373 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(OC)ccc3O)C2)cc1 ZINC000855233492 1293123163 /nfs/dbraw/zinc/12/31/63/1293123163.db2.gz ZFZPGRBJLMJQGQ-CYBMUJFWSA-N 0 0 342.395 2.418 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(N(C)C)nc3)C2)cc1 ZINC000855233481 1293123199 /nfs/dbraw/zinc/12/31/99/1293123199.db2.gz YYKHPDLKVBUUJB-OAHLLOKOSA-N 0 0 340.427 2.165 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)C3CCOCC3)C2)cc1 ZINC000855233727 1293123246 /nfs/dbraw/zinc/12/32/46/1293123246.db2.gz LICAYEZNZRJZQL-ZBFHGGJFSA-N 0 0 332.444 2.453 10 10 EECERN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@](C)(C(F)F)O1 ZINC000856481938 1293542816 /nfs/dbraw/zinc/54/28/16/1293542816.db2.gz DWHHIZBNQRFYFO-XWFYEAPPSA-N 0 0 327.327 2.382 10 10 EECERN Cc1ccc(O[C@@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)nc1 ZINC000858081075 1294000227 /nfs/dbraw/zinc/00/02/27/1294000227.db2.gz DPBLITCMMDWRAR-LLVKDONJSA-N 0 0 332.331 2.234 10 10 EECERN CCO[C@@H]1C[C@H](NC(=O)NCc2cc(C)ccc2O)[C@H]1n1cccn1 ZINC000858494810 1294133309 /nfs/dbraw/zinc/13/33/09/1294133309.db2.gz ODKWGCMQBLFUKD-USXIJHARSA-N 0 0 344.415 2.115 10 10 EECERN CO[C@H]1C[C@@H](CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000859013008 1294292534 /nfs/dbraw/zinc/29/25/34/1294292534.db2.gz ZSFWSTACXPUYLT-MAEOIBBWSA-N 0 0 347.459 2.090 10 10 EECERN COc1ccc2c(c1)CC[C@@H]2C(=O)NCCc1ccc(O)c(O)c1 ZINC000860235168 1294883383 /nfs/dbraw/zinc/88/33/83/1294883383.db2.gz PPYKWKRXSIIMNB-INIZCTEOSA-N 0 0 327.380 2.495 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(Cl)nn(C)c1Cl ZINC000860696493 1295068146 /nfs/dbraw/zinc/06/81/46/1295068146.db2.gz AWIKIBDGSGPKEH-SSDOTTSWSA-N 0 0 344.198 2.499 10 10 EECERN COc1ccc(N2CCN(C[C@@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799294112 1305215527 /nfs/dbraw/zinc/21/55/27/1305215527.db2.gz RYOMJXIINUEFCU-GOSISDBHSA-N 0 0 331.391 2.085 10 10 EECERN CN(C)c1ccc(CNC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)cc1 ZINC001124552444 1310915508 /nfs/dbraw/zinc/91/55/08/1310915508.db2.gz HACDQHBDHGCJMU-CSKARUKUSA-N 0 0 348.424 2.079 10 10 EECERN COC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(C)nc2)c2ccccc2O1 ZINC001124735579 1310943726 /nfs/dbraw/zinc/94/37/26/1310943726.db2.gz WHLKPEUMRDSELZ-FVNWOWOISA-N 0 0 338.363 2.370 10 10 EECERN COc1ccc(N2CCN(C(=O)C3(C(C)C)COC3)CC2)c(OC)c1 ZINC001287484432 1327504204 /nfs/dbraw/zinc/50/42/04/1327504204.db2.gz IKVMDNAWAPDBPV-UHFFFAOYSA-N 0 0 348.443 2.025 10 10 EECERN Cc1ncccc1OC[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000841470617 1315560417 /nfs/dbraw/zinc/56/04/17/1315560417.db2.gz DMAKKEDTCSVOIX-CYBMUJFWSA-N 0 0 328.368 2.485 10 10 EECERN Cc1cnc(COCC(=O)NCc2ccc3cccnc3c2O)o1 ZINC001142728113 1315717980 /nfs/dbraw/zinc/71/79/80/1315717980.db2.gz MMKQRRZYCXWGQG-UHFFFAOYSA-N 0 0 327.340 2.070 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)Cc1cccc(Cl)c1 ZINC001154076150 1316950767 /nfs/dbraw/zinc/95/07/67/1316950767.db2.gz UGXYQRNKFNPFTD-CQSZACIVSA-N 0 0 335.787 2.014 10 10 EECERN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1c(O)cccc1O ZINC001156885525 1318263526 /nfs/dbraw/zinc/26/35/26/1318263526.db2.gz HZBIFGWOEDOLDE-WDEREUQCSA-N 0 0 338.404 2.263 10 10 EECERN Cc1cnn(C)c1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1 ZINC001278920714 1318684475 /nfs/dbraw/zinc/68/44/75/1318684475.db2.gz PMVRWJQCSAIPJT-UHFFFAOYSA-N 0 0 340.408 2.197 10 10 EECERN Cn1ncc(C(=O)NCc2cc(Cl)ccc2O)c1Br ZINC001165498630 1321535312 /nfs/dbraw/zinc/53/53/12/1321535312.db2.gz PSBYIHCPRKNJHT-UHFFFAOYSA-N 0 0 344.596 2.472 10 10 EECERN COC(=O)c1cnc(SCC(=O)NCCOCCC(C)C)s1 ZINC001166234263 1321684348 /nfs/dbraw/zinc/68/43/48/1321684348.db2.gz IQDHLFOQEZTNOL-UHFFFAOYSA-N 0 0 346.474 2.201 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC001261189585 1322041207 /nfs/dbraw/zinc/04/12/07/1322041207.db2.gz GXXXTWNDSFDSQM-OAHLLOKOSA-N 0 0 348.443 2.205 10 10 EECERN COC(=O)/C=C/[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001263985048 1322577729 /nfs/dbraw/zinc/57/77/29/1322577729.db2.gz IEEJTECDLCXDIY-BCPZQOPPSA-N 0 0 327.384 2.337 10 10 EECERN CC(C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001282061681 1325604201 /nfs/dbraw/zinc/60/42/01/1325604201.db2.gz MXJFUCRQUAZFPO-VDISTLRHSA-N 0 0 345.403 2.130 10 10 EECERN CC(C)C[C@H](C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001283078200 1325911205 /nfs/dbraw/zinc/91/12/05/1325911205.db2.gz JSZQDKFRQFMXAG-LBPRGKRZSA-N 0 0 347.419 2.377 10 10 EECERN COCCn1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001290374830 1328188813 /nfs/dbraw/zinc/18/88/13/1328188813.db2.gz ONAQQUXUAQINBC-UHFFFAOYSA-N 0 0 342.443 2.402 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1F ZINC001291756555 1328330635 /nfs/dbraw/zinc/33/06/35/1328330635.db2.gz QYXKIWLFEFDTNY-UHFFFAOYSA-N 0 0 348.349 2.437 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CCC(=O)N2 ZINC001292792031 1328509759 /nfs/dbraw/zinc/50/97/59/1328509759.db2.gz HYBVMNPXODIGQY-LLVKDONJSA-N 0 0 340.379 2.402 10 10 EECERN COC(=O)c1cc(C(=O)NCc2cccc(OC)c2O)ccc1C ZINC001294938134 1329765731 /nfs/dbraw/zinc/76/57/31/1329765731.db2.gz WKRUMKIRXLITFQ-UHFFFAOYSA-N 0 0 329.352 2.426 10 10 EECERN Cc1cc(NC(=O)CSCC(=O)N[C@H](C)c2ccccc2O)no1 ZINC001302530773 1331328387 /nfs/dbraw/zinc/32/83/87/1331328387.db2.gz ZNYIAQHIBAASMT-LLVKDONJSA-N 0 0 349.412 2.238 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001302611343 1331330911 /nfs/dbraw/zinc/33/09/11/1331330911.db2.gz SRFIKCONDDCOLX-CYBMUJFWSA-N 0 0 335.400 2.221 10 10 EECERN O=C(Cn1nnnc1-c1ccccc1)NCc1cccc(Cl)c1O ZINC001305084950 1331408141 /nfs/dbraw/zinc/40/81/41/1331408141.db2.gz PBAJXTWOJBNXSB-UHFFFAOYSA-N 0 0 343.774 2.016 10 10 EECERN CCOc1ccc(N2CCN(C(=O)/C=C\[C@@H]3CCCO3)CC2)cc1 ZINC001326159512 1334034716 /nfs/dbraw/zinc/03/47/16/1334034716.db2.gz JGWCWCNLJBZEQS-IBSYWUHOSA-N 0 0 330.428 2.469 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1 ZINC001328037890 1334383006 /nfs/dbraw/zinc/38/30/06/1334383006.db2.gz VHGXGBUTAYCGSV-DNMXQMFDSA-N 0 0 343.471 2.482 10 10 EECERN CCCO[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001332018889 1335706938 /nfs/dbraw/zinc/70/69/38/1335706938.db2.gz KPNWNXAVNAVHTI-OAHLLOKOSA-N 0 0 346.427 2.042 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@]1(C)CC1(C)C ZINC001350466799 1337715387 /nfs/dbraw/zinc/71/53/87/1337715387.db2.gz YRVQKDLWBAXHRQ-LJQANCHMSA-N 0 0 331.460 2.230 10 10 EECERN CN(C)c1ccc(/C=C\C[NH2+][C@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1 ZINC001350652229 1337732669 /nfs/dbraw/zinc/73/26/69/1337732669.db2.gz HHLXQQQEVMOQIQ-MJSXRHKHSA-N 0 0 348.834 2.359 10 10 EECERN Cn1ccnc1[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC001352211084 1337905612 /nfs/dbraw/zinc/90/56/12/1337905612.db2.gz YSGDVRRGSLYZJG-LBPRGKRZSA-N 0 0 340.305 2.455 10 10 EECERN COc1ccc(N2CC[C@H](N3C(=O)[C@@H](C)N(C4CC4)C3=O)C2)cc1 ZINC000849358329 1339154280 /nfs/dbraw/zinc/15/42/80/1339154280.db2.gz VZCAYXLKVPSIGB-DOMZBBRYSA-N 0 0 329.400 2.089 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1coc2c1C(=O)NCCC2 ZINC001556515725 1342430347 /nfs/dbraw/zinc/43/03/47/1342430347.db2.gz JOWXJUQSJYYHDL-UHFFFAOYSA-N 0 0 349.383 2.077 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC001569427881 1342868539 /nfs/dbraw/zinc/86/85/39/1342868539.db2.gz SAJHKTVHZINQJL-CABCVRRESA-N 0 0 330.388 2.376 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC001569427884 1342868870 /nfs/dbraw/zinc/86/88/70/1342868870.db2.gz SAJHKTVHZINQJL-LSDHHAIUSA-N 0 0 330.388 2.376 10 10 EECERN CC(C)=C(C)CC(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001575394326 1343786711 /nfs/dbraw/zinc/78/67/11/1343786711.db2.gz UAXSJYWGTPCDCE-UHFFFAOYSA-N 0 0 345.403 2.441 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1nc(F)ccc1Br ZINC001593872736 1349873149 /nfs/dbraw/zinc/87/31/49/1349873149.db2.gz BVYCGDKRYQDPCM-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001595806873 1349895587 /nfs/dbraw/zinc/89/55/87/1349895587.db2.gz YJTRUGOABRISDJ-QFYYESIMSA-N 0 0 346.339 2.220 10 10 EECERN O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1c(O)cccc1F ZINC001596911148 1349913558 /nfs/dbraw/zinc/91/35/58/1349913558.db2.gz DTWUERZBIMYGIC-UHFFFAOYSA-N 0 0 344.264 2.028 10 10 EECERN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1nnc2n1CCC2 ZINC001597163839 1349919449 /nfs/dbraw/zinc/91/94/49/1349919449.db2.gz SPNYDLWQUYYQRG-QMMMGPOBSA-N 0 0 344.396 2.341 10 10 EECERN CC(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001687890555 1357513303 /nfs/dbraw/zinc/51/33/03/1357513303.db2.gz IEXFURINTYBTMY-AWEZNQCLSA-N 0 0 345.403 2.226 10 10 EECERN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)Cc1ccc(O)c(O)c1 ZINC001624938766 1352435270 /nfs/dbraw/zinc/43/52/70/1352435270.db2.gz UGYMAUKKOXJWPI-STQMWFEESA-N 0 0 348.443 2.134 10 10 EECERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(O)cc1O ZINC001626833977 1352474573 /nfs/dbraw/zinc/47/45/73/1352474573.db2.gz ROAGDWWUJLQVNJ-SNVBAGLBSA-N 0 0 348.786 2.186 10 10 EECERN COc1cccc(N2CC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2)c1 ZINC001627817508 1352510779 /nfs/dbraw/zinc/51/07/79/1352510779.db2.gz UOEHBBIUINWKPB-AWEZNQCLSA-N 0 0 342.395 2.044 10 10 EECERN COc1cccc(N2CC[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C2)c1 ZINC001627817509 1352511120 /nfs/dbraw/zinc/51/11/20/1352511120.db2.gz UOEHBBIUINWKPB-CQSZACIVSA-N 0 0 342.395 2.044 10 10 EECERN O=C(NCCCSc1nccs1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001628326085 1352530251 /nfs/dbraw/zinc/53/02/51/1352530251.db2.gz PTJFPAYGGMWHMQ-UHFFFAOYSA-N 0 0 347.809 2.340 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\c1cccnc1 ZINC001630480589 1352569064 /nfs/dbraw/zinc/56/90/64/1352569064.db2.gz DDHCYUZZEYLEFM-KTKRTIGZSA-N 0 0 340.379 2.392 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cc(C(C)(C)C)n3ncnc3n2)c1 ZINC001640796979 1352714371 /nfs/dbraw/zinc/71/43/71/1352714371.db2.gz ULHIPRYMNYXOOW-UHFFFAOYSA-N 0 0 339.399 2.366 10 10 EECERN O=C(CCCOc1ccc2c(c1)OCO2)NCc1c(O)cccc1O ZINC001645363091 1352777074 /nfs/dbraw/zinc/77/70/74/1352777074.db2.gz MIFMLBLLEIAEJA-UHFFFAOYSA-N 0 0 345.351 2.302 10 10 EECERN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1c(O)cccc1F ZINC001679412969 1357693800 /nfs/dbraw/zinc/69/38/00/1357693800.db2.gz ROQVFTFUUOPPIS-UHFFFAOYSA-N 0 0 349.318 2.448 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001652626231 1354097357 /nfs/dbraw/zinc/09/73/57/1354097357.db2.gz SVUWDOSLUSYIKZ-CQSZACIVSA-N 0 0 341.285 2.466 10 10 EECERN Cn1ncc2ccc(CNC(=O)NCc3c(O)cccc3F)cc21 ZINC001686586031 1358424331 /nfs/dbraw/zinc/42/43/31/1358424331.db2.gz AWXLILCZDJUDHS-UHFFFAOYSA-N 0 0 328.347 2.417 10 10 EECERN C[C@@H](NC(=O)NCc1ccccc1S(C)(=O)=O)c1ccccc1O ZINC001686801779 1358484803 /nfs/dbraw/zinc/48/48/03/1358484803.db2.gz DQARBDPXJTVWJJ-GFCCVEGCSA-N 0 0 348.424 2.356 10 10 EECERN COC(=O)/C(C)=C\CNC(=O)NCCCSc1nccs1 ZINC000921446954 773378988 /nfs/dbraw/zinc/37/89/88/773378988.db2.gz UYXUIFFKFXMKKW-WMZJFQQLSA-N 0 0 329.447 2.044 10 10 EECERN CN(Cc1ccccc1O)C(=O)CN1C(=O)CSc2ccccc21 ZINC000053914859 773627598 /nfs/dbraw/zinc/62/75/98/773627598.db2.gz BWEGFWSWQZYTQA-UHFFFAOYSA-N 0 0 342.420 2.490 10 10 EECERN CCn1nc(C)c(C(=O)NCc2cc(Br)ccc2O)n1 ZINC000816653890 784170871 /nfs/dbraw/zinc/17/08/71/784170871.db2.gz LWZLEIZEOBTVEF-UHFFFAOYSA-N 0 0 339.193 2.005 10 10 EECERN CC[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000817833902 785003991 /nfs/dbraw/zinc/00/39/91/785003991.db2.gz RHZIQHSTLAUFRZ-YSVLISHTSA-N 0 0 347.459 2.004 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3c[nH]c(=O)cc3C)C2)cc1 ZINC000819584459 785595253 /nfs/dbraw/zinc/59/52/53/785595253.db2.gz JXLGBZFYVXDOKL-AWEZNQCLSA-N 0 0 341.411 2.361 10 10 EECERN COC(=O)c1cncnc1NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819933992 785731116 /nfs/dbraw/zinc/73/11/16/785731116.db2.gz FSRQNYVGLBAONB-ZDUSSCGKSA-N 0 0 342.399 2.210 10 10 EECERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CC(C)(O)C2)cc1 ZINC000822883983 787432841 /nfs/dbraw/zinc/43/28/41/787432841.db2.gz VLOHOLANBCVLHI-KGXSXCIVSA-N 0 0 346.471 2.421 10 10 EECERN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000824584043 788246693 /nfs/dbraw/zinc/24/66/93/788246693.db2.gz VRKDJSZQXRNOOX-ZDUSSCGKSA-N 0 0 343.265 2.091 10 10 EECERN COC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000843532240 788680054 /nfs/dbraw/zinc/68/00/54/788680054.db2.gz WTZZBECTDMVGOM-STQMWFEESA-N 0 0 336.407 2.235 10 10 EECERN COc1cc(N(C)C[C@H]2CN(C3CC3)C(=O)O2)cc(OC)c1OC ZINC000844299138 788993398 /nfs/dbraw/zinc/99/33/98/788993398.db2.gz DPZWJPRBBZUKHF-ZDUSSCGKSA-N 0 0 336.388 2.132 10 10 EECERN CCC[C@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000844909609 789480957 /nfs/dbraw/zinc/48/09/57/789480957.db2.gz HHASZEWARJXCBK-MAUKXSAKSA-N 0 0 349.475 2.120 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@]2(O)CCOC2)cc1 ZINC000846449364 790172996 /nfs/dbraw/zinc/17/29/96/790172996.db2.gz XUEFCAPPPFFRHZ-IBGZPJMESA-N 0 0 328.412 2.365 10 10 EECERN CO[C@@]1(C(F)(F)F)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000916146315 797528062 /nfs/dbraw/zinc/52/80/62/797528062.db2.gz UNWLNTPERKTOND-MFBWXBCUSA-N 0 0 331.290 2.291 10 10 EECERN CC(C)N(CC(=O)NCc1cc(O)ccc1O)C(=O)OC(C)(C)C ZINC001176755753 798571124 /nfs/dbraw/zinc/57/11/24/798571124.db2.gz VESOSZKOFUSWAU-UHFFFAOYSA-N 0 0 338.404 2.360 10 10 EECERN Cc1cc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nn1C ZINC000922056294 798772756 /nfs/dbraw/zinc/77/27/56/798772756.db2.gz YAOFJZOXVZJTJI-CQSZACIVSA-N 0 0 329.448 2.397 10 10 EECERN COc1cc(C(=O)NCc2c(O)cccc2F)cc(OC)c1OC ZINC001178413044 799467851 /nfs/dbraw/zinc/46/78/51/799467851.db2.gz LOEOOXPIMLUDNB-UHFFFAOYSA-N 0 0 335.331 2.487 10 10 EECERN Cc1noc(-c2ccccc2C(=O)NCc2c(O)cccc2O)n1 ZINC001178910548 799696397 /nfs/dbraw/zinc/69/63/97/799696397.db2.gz FWKKKUXMNHZXHH-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000922727460 801744700 /nfs/dbraw/zinc/74/47/00/801744700.db2.gz XXTUAXKXNPJLKJ-BZPMIXESSA-N 0 0 342.233 2.357 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2CCCOCC2)cc1 ZINC000787113472 806999470 /nfs/dbraw/zinc/99/94/70/806999470.db2.gz VOTSLKKSTGTXCA-INIZCTEOSA-N 0 0 348.443 2.071 10 10 EECERN C[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccccc1O ZINC000788610960 807584309 /nfs/dbraw/zinc/58/43/09/807584309.db2.gz UPBIVPNVMQPLHC-CYBMUJFWSA-N 0 0 325.412 2.409 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)C2CN(CC(F)(F)F)C2)c1 ZINC000806793572 811992229 /nfs/dbraw/zinc/99/22/29/811992229.db2.gz SHBXDJRQTOXJOU-VIFPVBQESA-N 0 0 332.322 2.072 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CCOC1 ZINC000807327050 812179919 /nfs/dbraw/zinc/17/99/19/812179919.db2.gz WTEYGSFSCVPWRO-OAHLLOKOSA-N 0 0 348.443 2.064 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCOC[C@@H]1C ZINC000809389179 813122178 /nfs/dbraw/zinc/12/21/78/813122178.db2.gz UPABKEGSEJUQMM-WMLDXEAASA-N 0 0 340.489 2.329 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCn2ncnc21 ZINC001441190923 1094549486 /nfs/dbraw/zinc/54/94/86/1094549486.db2.gz WAQCRJPSFLOANC-INIZCTEOSA-N 0 0 325.416 2.072 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cc2n[nH]nc2cc1F ZINC001451948741 1098052327 /nfs/dbraw/zinc/05/23/27/1098052327.db2.gz DRJKDUPGPCDKSN-UHFFFAOYSA-N 0 0 337.314 2.281 10 10 EECERN COC(=O)c1coc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001451959283 1098060534 /nfs/dbraw/zinc/06/05/34/1098060534.db2.gz WSAKFEFLZLLQGQ-UHFFFAOYSA-N 0 0 326.308 2.250 10 10 EECERN CC1CC(C(=O)NCCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001495945475 1101803997 /nfs/dbraw/zinc/80/39/97/1101803997.db2.gz FGZXNRWEGXGEHY-UHFFFAOYSA-N 0 0 345.403 2.083 10 10 EECERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](CC(F)(F)F)O1 ZINC001453902516 1106569094 /nfs/dbraw/zinc/56/90/94/1106569094.db2.gz QVNODISRODCTPY-ONGXEEELSA-N 0 0 333.306 2.209 10 10 EECERN Nc1ccc(F)cc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001454009236 1106657384 /nfs/dbraw/zinc/65/73/84/1106657384.db2.gz XVVQRNQQLTXRPS-UHFFFAOYSA-N 0 0 343.402 2.299 10 10 EECERN NC(=O)c1ccc(/C=C/C(=O)NCCCSc2nccs2)o1 ZINC001464904166 1110407393 /nfs/dbraw/zinc/40/73/93/1110407393.db2.gz ZMULEIVMKOSECR-HWKANZROSA-N 0 0 337.426 2.147 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC001466798915 1110444020 /nfs/dbraw/zinc/44/40/20/1110444020.db2.gz MPVLIMRBYLQARM-KGLIPLIRSA-N 0 0 344.371 2.059 10 10 EECERN CCC[C@H](O)[C@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001468859346 1110481260 /nfs/dbraw/zinc/48/12/60/1110481260.db2.gz GULLNTZKYJIHPL-ZFWWWQNUSA-N 0 0 336.457 2.407 10 10 EECERN O=C(Cc1nc(C(F)(F)F)cs1)NCc1c(O)cccc1O ZINC001472063472 1110540835 /nfs/dbraw/zinc/54/08/35/1110540835.db2.gz LDLXKVBKZBHERF-UHFFFAOYSA-N 0 0 332.303 2.432 10 10 EECERN CC[C@H](CNC(=O)C1(C)CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001499137833 1112143305 /nfs/dbraw/zinc/14/33/05/1112143305.db2.gz DEDVIGHFQGGKOT-GFCCVEGCSA-N 0 0 345.403 2.274 10 10 EECERN CC(C)C(=O)N(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001510461546 1117738686 /nfs/dbraw/zinc/73/86/86/1117738686.db2.gz XUVAZCOZBPHEKO-NSHDSACASA-N 0 0 333.392 2.082 10 10 EECERN NC(=O)CC[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001546327150 1118032491 /nfs/dbraw/zinc/03/24/91/1118032491.db2.gz HJGRJBQGRAPQOS-JTQLQIEISA-N 0 0 348.424 2.430 10 10 EECERN Cc1nnc(N2CCOC[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001511911602 1118315841 /nfs/dbraw/zinc/31/58/41/1118315841.db2.gz WTTUNHJAZNZZJD-LBPRGKRZSA-N 0 0 333.411 2.065 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2cccc(Cl)n2)c1 ZINC001527851976 1120899791 /nfs/dbraw/zinc/89/97/91/1120899791.db2.gz YLRQJROERFYYPD-VOTSOKGWSA-N 0 0 330.775 2.166 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001531692889 1122508863 /nfs/dbraw/zinc/50/88/63/1122508863.db2.gz GCDSMLUFBMTSBC-UHFFFAOYSA-N 0 0 343.387 2.201 10 10 EECERN COc1ccc(N2CCN(C(=O)c3ccc(CO)c(F)c3)CC2)cc1 ZINC001545556288 1124195478 /nfs/dbraw/zinc/19/54/78/1124195478.db2.gz CZILKYQTFPBPAG-UHFFFAOYSA-N 0 0 344.386 2.289 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)c2cccc(F)c2)cc1 ZINC001545585317 1124197509 /nfs/dbraw/zinc/19/75/09/1124197509.db2.gz SBMSVORZSLQJSI-CQSZACIVSA-N 0 0 330.319 2.452 10 10 EECERN O=C(/C=C/c1ccncn1)NCc1cc(Br)ccc1O ZINC000804735146 675610726 /nfs/dbraw/zinc/61/07/26/675610726.db2.gz MVTVLOBFLOTHIG-DUXPYHPUSA-N 0 0 334.173 2.274 10 10 EECERN COc1cccc(CNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1O ZINC000068489337 533504599 /nfs/dbraw/zinc/50/45/99/533504599.db2.gz DBJMUHAKCOHABK-INIZCTEOSA-N 0 0 336.432 2.204 10 10 EECERN CCn1ccnc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000296392507 465180042 /nfs/dbraw/zinc/18/00/42/465180042.db2.gz LFYKNGBOLUGSCM-UHFFFAOYSA-N 0 0 325.416 2.279 10 10 EECERN COC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155714331 462933294 /nfs/dbraw/zinc/93/32/94/462933294.db2.gz NFMOYDDXZGRIFI-MRXNPFEDSA-N 0 0 343.427 2.157 10 10 EECERN CCOc1cccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1O ZINC000122410281 463262013 /nfs/dbraw/zinc/26/20/13/463262013.db2.gz NQXTWXKVHIJWRX-MRXNPFEDSA-N 0 0 331.416 2.197 10 10 EECERN Cc1cc(C)n(Cc2nc(-c3ccc(O)c(O)c3)cs2)c(=O)n1 ZINC000071792478 463425527 /nfs/dbraw/zinc/42/55/27/463425527.db2.gz IGOQOBIKFFXXTL-UHFFFAOYSA-N 0 0 329.381 2.443 10 10 EECERN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1cccc(O)c1O ZINC000185826101 463887024 /nfs/dbraw/zinc/88/70/24/463887024.db2.gz JWIGMYUMHXCEJU-SNVBAGLBSA-N 0 0 334.322 2.385 10 10 EECERN Cc1cc(C(=O)N2CCO[C@]3(CCOC3)C2)c(C)n1-c1ccccn1 ZINC000186023964 463924108 /nfs/dbraw/zinc/92/41/08/463924108.db2.gz SEJBLSDXMWYNTI-LJQANCHMSA-N 0 0 341.411 2.121 10 10 EECERN COC(=O)CCCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000275256033 464769130 /nfs/dbraw/zinc/76/91/30/464769130.db2.gz HOZXNYJYQBSAFU-UHFFFAOYSA-N 0 0 334.416 2.077 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000275895078 464791143 /nfs/dbraw/zinc/79/11/43/464791143.db2.gz MHPHTUWWJGJFTE-UHFFFAOYSA-N 0 0 344.415 2.120 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000184410512 464973639 /nfs/dbraw/zinc/97/36/39/464973639.db2.gz KNJITQITFNIDRT-IBGZPJMESA-N 0 0 347.459 2.234 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000371259207 465673627 /nfs/dbraw/zinc/67/36/27/465673627.db2.gz GBTDSNDJOUEMIU-MRXNPFEDSA-N 0 0 333.771 2.414 10 10 EECERN COc1ccc(CNC(=O)[C@H]2CCCN2c2nccs2)c(O)c1 ZINC000373606947 466865168 /nfs/dbraw/zinc/86/51/68/466865168.db2.gz DCCSIBPAQZPYAS-CYBMUJFWSA-N 0 0 333.413 2.143 10 10 EECERN Cn1nccc1C1=CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000375921246 466882914 /nfs/dbraw/zinc/88/29/14/466882914.db2.gz IJFUTDDMDOEURK-HWKANZROSA-N 0 0 325.368 2.160 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000291803616 534142606 /nfs/dbraw/zinc/14/26/06/534142606.db2.gz ZNUNVNVLABVCGZ-PWSUYJOCSA-N 0 0 346.349 2.172 10 10 EECERN Oc1cc2c(cc1CN1CC(O)(c3ccc(Cl)cc3)C1)OCO2 ZINC000365683709 534448116 /nfs/dbraw/zinc/44/81/16/534448116.db2.gz YTSYBHJQGNCPAN-UHFFFAOYSA-N 0 0 333.771 2.478 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCCCN2CCOC2=O)cc1 ZINC000077517947 528304594 /nfs/dbraw/zinc/30/45/94/528304594.db2.gz GDRCBVUJTQBSJK-UHFFFAOYSA-N 0 0 348.447 2.174 10 10 EECERN COCCCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000733384865 577228133 /nfs/dbraw/zinc/22/81/33/577228133.db2.gz HGBCATXWEINTBT-UHFFFAOYSA-N 0 0 339.347 2.238 10 10 EECERN CN1CCCc2cc(CNC(=O)[C@@H]3CCCC34OCCO4)ccc21 ZINC000773877970 577370921 /nfs/dbraw/zinc/37/09/21/577370921.db2.gz FRARSEWFCCEUIF-INIZCTEOSA-N 0 0 330.428 2.228 10 10 EECERN C[C@@H](NCc1nsc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000775258866 577433849 /nfs/dbraw/zinc/43/38/49/577433849.db2.gz LEMSEBBYMOUZHL-CYBMUJFWSA-N 0 0 347.488 2.292 10 10 EECERN CCOC(=O)[C@@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC000776341951 577457923 /nfs/dbraw/zinc/45/79/23/577457923.db2.gz UBORJBVLKYNDNL-CQSZACIVSA-N 0 0 343.379 2.250 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCC[C@@H](C)[S@@](C)=O)cc1 ZINC000765677603 577504945 /nfs/dbraw/zinc/50/49/45/577504945.db2.gz FFOGPQLGZFFCGJ-QKFKETGDSA-N 0 0 339.505 2.489 10 10 EECERN O=C(OCc1noc(Cc2ccccc2)n1)c1cccc(O)c1O ZINC000758572650 577627537 /nfs/dbraw/zinc/62/75/37/577627537.db2.gz LURSSOSKWRRWCU-UHFFFAOYSA-N 0 0 326.308 2.429 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3ncc(C)cc3O)CC2)cc1 ZINC000763242615 577717687 /nfs/dbraw/zinc/71/76/87/577717687.db2.gz DIHVNRQJINUOLD-UHFFFAOYSA-N 0 0 341.411 2.457 10 10 EECERN Cc1cc(C(=O)NCc2ccccc2O)nn1-c1nc(C)cc(C)n1 ZINC000764070961 577730520 /nfs/dbraw/zinc/73/05/20/577730520.db2.gz RYVKTNBFCOZBHO-UHFFFAOYSA-N 0 0 337.383 2.223 10 10 EECERN CN(C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000756644101 577847904 /nfs/dbraw/zinc/84/79/04/577847904.db2.gz GOTFPKOOAKGOQG-ZDUSSCGKSA-N 0 0 345.351 2.020 10 10 EECERN CCc1cc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)no1 ZINC000740492253 578096006 /nfs/dbraw/zinc/09/60/06/578096006.db2.gz VQRFCRRTVRWPET-UHFFFAOYSA-N 0 0 344.415 2.290 10 10 EECERN CN(C)C(=O)CCCC(=O)NCc1cc(Br)ccc1O ZINC000804738414 675611285 /nfs/dbraw/zinc/61/12/85/675611285.db2.gz PFXMWZFUSXVORH-UHFFFAOYSA-N 0 0 343.221 2.029 10 10 EECERN CCN(Cc1cc(Br)ccc1O)C(=O)Cn1ccnc1 ZINC000120989317 675799627 /nfs/dbraw/zinc/79/96/27/675799627.db2.gz LOEBYGOZTBXTHV-UHFFFAOYSA-N 0 0 338.205 2.400 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H](C)[S@](C)=O ZINC000165813570 682423107 /nfs/dbraw/zinc/42/31/07/682423107.db2.gz XFOGGFZYMVFHMA-WHEQGISXSA-N 0 0 325.478 2.017 10 10 EECERN Cc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccn1C ZINC000195125337 684993912 /nfs/dbraw/zinc/99/39/12/684993912.db2.gz LYXGJDQIGYAYHZ-UHFFFAOYSA-N 0 0 331.391 2.239 10 10 EECERN CC(C)(C)N1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000896800649 685254358 /nfs/dbraw/zinc/25/43/58/685254358.db2.gz SEVNSYNFQCQURT-JTQLQIEISA-N 0 0 348.424 2.442 10 10 EECERN COC(=O)[C@]1(C)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896976304 686019831 /nfs/dbraw/zinc/01/98/31/686019831.db2.gz DJOCEXLPHNJONK-MRXNPFEDSA-N 0 0 335.381 2.338 10 10 EECERN CC(=O)O[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897162717 686204519 /nfs/dbraw/zinc/20/45/19/686204519.db2.gz WNPUIYSYFLRTTK-LLVKDONJSA-N 0 0 335.381 2.480 10 10 EECERN Cc1cc(C)n(C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C(=O)[O-])n1 ZINC000904006089 694266596 /nfs/dbraw/zinc/26/65/96/694266596.db2.gz SMSGTZNCYLFJCI-XFHJGTJQSA-N 0 0 342.443 2.322 10 10 EECERN O=C([O-])C[N@H+](CC1CC1)C1CC(NCc2ccc3c(c2)CCO3)C1 ZINC000263520797 690044536 /nfs/dbraw/zinc/04/45/36/690044536.db2.gz QVOQIPFHPULOMA-UHFFFAOYSA-N 0 0 330.428 2.039 10 10 EECERN CCN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)C1=O ZINC000897453243 690557341 /nfs/dbraw/zinc/55/73/41/690557341.db2.gz GUOIKEMEGRHUKG-UHFFFAOYSA-N 0 0 348.424 2.395 10 10 EECERN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H](O)C(F)(F)F ZINC000899167263 693639805 /nfs/dbraw/zinc/63/98/05/693639805.db2.gz DMIRTPPMOZFMRQ-DYEAUMGKSA-N 0 0 335.303 2.354 10 10 EECERN C[C@H](NC(=O)/C=C\c1ccc(C(N)=O)o1)c1ccc(N(C)C)cc1 ZINC001269588601 1184414164 /nfs/dbraw/zinc/41/41/64/1184414164.db2.gz SJWNTYFWPJWPBH-MMRAYRKESA-N 0 0 327.384 2.335 10 10 EECERN Cc1cc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000863766345 1197859788 /nfs/dbraw/zinc/85/97/88/1197859788.db2.gz VIXKIKREMPUBJF-CXAGYDPISA-N 0 0 342.370 2.478 10 10 EECERN O=C1OC[C@]2(C[NH2+]Cc3cc(Cl)cc(Cl)c3[O-])COCCN12 ZINC000865768385 1198368085 /nfs/dbraw/zinc/36/80/85/1198368085.db2.gz ICADWIBYDYONGH-AWEZNQCLSA-N 0 0 347.198 2.010 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CN(C)C(=O)[C@@H]2C)cc1F ZINC000825965535 1199940506 /nfs/dbraw/zinc/94/05/06/1199940506.db2.gz YNDVYYOMPJDIBQ-LBPRGKRZSA-N 0 0 336.411 2.002 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccc(N(C)C)cc1 ZINC000811906255 1200398450 /nfs/dbraw/zinc/39/84/50/1200398450.db2.gz UYFNWLMNPAKTTG-JSGCOSHPSA-N 0 0 327.432 2.393 10 10 EECERN Cc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nn1 ZINC000866560944 1201548726 /nfs/dbraw/zinc/54/87/26/1201548726.db2.gz YPQVWRBJYNCWBN-UHFFFAOYSA-N 0 0 348.472 2.450 10 10 EECERN COc1cccc(CNC(=O)Cc2cn3cc(C)sc3n2)c1O ZINC000866764406 1201600325 /nfs/dbraw/zinc/60/03/25/1201600325.db2.gz UHLKXIOSMSHJNB-UHFFFAOYSA-N 0 0 331.397 2.277 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Cc2cnn3c2CCCC3)c1 ZINC000866765776 1201601096 /nfs/dbraw/zinc/60/10/96/1201601096.db2.gz ZKRNPGZLZXEMRL-LBPRGKRZSA-N 0 0 329.400 2.354 10 10 EECERN COc1ccc(OC)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 ZINC000867689452 1201659653 /nfs/dbraw/zinc/65/96/53/1201659653.db2.gz LGVKEJVLXLLSDP-UHFFFAOYSA-N 0 0 335.381 2.114 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCn3nccc32)c1 ZINC000869219593 1201967392 /nfs/dbraw/zinc/96/73/92/1201967392.db2.gz YUULWFOJNDWVDZ-BXUZGUMPSA-N 0 0 330.388 2.493 10 10 EECERN CC(=O)C(=O)COC(=O)CCCc1ccc(Br)cc1 ZINC000885611334 1202428475 /nfs/dbraw/zinc/42/84/75/1202428475.db2.gz QRKSEVKROWCGLL-UHFFFAOYSA-N 0 0 327.174 2.473 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000928711729 1206414053 /nfs/dbraw/zinc/41/40/53/1206414053.db2.gz OPYNMUMTXKZSDR-AWEZNQCLSA-N 0 0 342.370 2.310 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C=O)cn1 ZINC000929536409 1206484364 /nfs/dbraw/zinc/48/43/64/1206484364.db2.gz BTILSJRLKYZZAZ-UHFFFAOYSA-N 0 0 339.395 2.003 10 10 EECERN O=C(NCc1c(O)cccc1F)Nc1cccnc1N1CCOCC1 ZINC000929916156 1206517296 /nfs/dbraw/zinc/51/72/96/1206517296.db2.gz VFWOXVYWRYTBPR-UHFFFAOYSA-N 0 0 346.362 2.085 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000779538365 1210458283 /nfs/dbraw/zinc/45/82/83/1210458283.db2.gz YTSXDTICIBTRCK-DYLGSBMWSA-N 0 0 338.363 2.353 10 10 EECERN COc1cccc(CS(=O)(=O)NCc2ccc(OC)cc2O)c1 ZINC000795362753 1212015736 /nfs/dbraw/zinc/01/57/36/1212015736.db2.gz RGEHQNXCFORTFD-UHFFFAOYSA-N 0 0 337.397 2.029 10 10 EECERN CN(c1ccc(CNC(=O)[C@H](O)C(C)(C)O)cc1)C1CCCCC1 ZINC000900405131 1234322096 /nfs/dbraw/zinc/32/20/96/1234322096.db2.gz GDCYCOIHVSRJLH-KRWDZBQOSA-N 0 0 334.460 2.204 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)/C=C(\C)CN1CCOCC1 ZINC000901051236 1235163201 /nfs/dbraw/zinc/16/32/01/1235163201.db2.gz AVSGGOBCYFHRFD-DTQAZKPQSA-N 0 0 332.444 2.409 10 10 EECERN O=C(Cc1ccccc1N1CCCC1=O)NCc1ccc(O)c(O)c1 ZINC000901130089 1235260529 /nfs/dbraw/zinc/26/05/29/1235260529.db2.gz CIQWXDFDDOXPOY-UHFFFAOYSA-N 0 0 340.379 2.084 10 10 EECERN COc1c([O-])c(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)ccc1[N+](=O)[O-] ZINC000827243421 1238657724 /nfs/dbraw/zinc/65/77/24/1238657724.db2.gz ITGGTOMWUGFUGR-RISCZKNCSA-N 0 0 344.314 2.213 10 10 EECERN COc1ccc(O)c(CNS(=O)(=O)CCCC2CCOCC2)c1 ZINC000827201285 1250702958 /nfs/dbraw/zinc/70/29/58/1250702958.db2.gz OXDBSJSENIUNAO-UHFFFAOYSA-N 0 0 343.445 2.027 10 10 EECERN C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)cc(F)c1[O-] ZINC000850548184 1277263055 /nfs/dbraw/zinc/26/30/55/1277263055.db2.gz YSSRSDLKVNGSIB-CBAPKCEASA-N 0 0 331.185 2.223 10 10 EECERN CN1c2ccc(C(=O)NCCc3ccc(N)cc3)cc2C(C)(C)C1=O ZINC000851632213 1277693355 /nfs/dbraw/zinc/69/33/55/1277693355.db2.gz NRGVSDPBRHKDHC-UHFFFAOYSA-N 0 0 337.423 2.495 10 10 EECERN Nc1ccc(CCNC(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000851665043 1277709273 /nfs/dbraw/zinc/70/92/73/1277709273.db2.gz OYRXBMYIJACPHN-KDURUIRLSA-N 0 0 329.444 2.414 10 10 EECERN COC(=O)C=Cc1ccc(N(C)Cc2c[nH]nc2C)c([N+](=O)[O-])c1 ZINC001186792685 1279230394 /nfs/dbraw/zinc/23/03/94/1279230394.db2.gz SBOVDEORKCBJOF-FNORWQNLSA-N 0 0 330.344 2.449 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000867301870 1285499648 /nfs/dbraw/zinc/49/96/48/1285499648.db2.gz HBMGJVDGGCYKJX-NWDGAFQWSA-N 0 0 329.400 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](OC)C(C)C)C2)cc1 ZINC000852193867 1292036013 /nfs/dbraw/zinc/03/60/13/1292036013.db2.gz AUECLCFBOBQSBJ-RHSMWYFYSA-N 0 0 335.448 2.244 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CS[C@@H](C)C3)C2)cc1 ZINC000852381401 1292102491 /nfs/dbraw/zinc/10/24/91/1292102491.db2.gz RDELJNBWEKUEKU-MELADBBJSA-N 0 0 335.473 2.467 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H]3CCCOC3)C2)cc1 ZINC000852455635 1292118906 /nfs/dbraw/zinc/11/89/06/1292118906.db2.gz VHBVJRLNZMBENB-HOTGVXAUSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CCN(C(=O)Cc3cc(C4CC4)no3)CC2)cc1 ZINC000854199081 1292668956 /nfs/dbraw/zinc/66/89/56/1292668956.db2.gz WAHVDLMPHUIBKC-UHFFFAOYSA-N 0 0 341.411 2.452 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](CCCO)C3)C2)cc1 ZINC000854298235 1292710620 /nfs/dbraw/zinc/71/06/20/1292710620.db2.gz YOWAEEUKHDDNJP-JKSUJKDBSA-N 0 0 347.459 2.078 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCNC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000855144223 1293084993 /nfs/dbraw/zinc/08/49/93/1293084993.db2.gz PORXBSCHTQXHRM-HNNXBMFYSA-N 0 0 331.803 2.366 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](OC)C(F)(F)F)C2)cc1 ZINC000855225760 1293117839 /nfs/dbraw/zinc/11/78/39/1293117839.db2.gz QDHCPCMHFWBMBL-BXUZGUMPSA-N 0 0 346.349 2.358 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C3(C(=O)C4CC4)CC3)C2)cc1 ZINC000855227324 1293119651 /nfs/dbraw/zinc/11/96/51/1293119651.db2.gz XKJZMHGFZSTZQP-CQSZACIVSA-N 0 0 328.412 2.149 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)C2)cc1 ZINC000855227117 1293120054 /nfs/dbraw/zinc/12/00/54/1293120054.db2.gz VSVCWNBCFOCPHF-WRFANHODSA-N 0 0 328.412 2.005 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCCc3nc(C)no3)C2)cc1 ZINC000855232832 1293122152 /nfs/dbraw/zinc/12/21/52/1293122152.db2.gz UXEZVFSLWOXURP-CQSZACIVSA-N 0 0 344.415 2.104 10 10 EECERN CCC(C)(C)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855368285 1293192075 /nfs/dbraw/zinc/19/20/75/1293192075.db2.gz LAAOGHCYZBGVIZ-SNVBAGLBSA-N 0 0 328.434 2.318 10 10 EECERN COc1ccc(O)c(CNC(=O)c2cc(N3CCCCC3)ncn2)c1 ZINC000857125581 1293725709 /nfs/dbraw/zinc/72/57/09/1293725709.db2.gz KWEMPPYPTFMXOR-UHFFFAOYSA-N 0 0 342.399 2.111 10 10 EECERN O=C1[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C1CCC1 ZINC000858342377 1294089261 /nfs/dbraw/zinc/08/92/61/1294089261.db2.gz LECTZDVRYSBBHM-GFCCVEGCSA-N 0 0 339.779 2.197 10 10 EECERN CCO[C@@H]1C[C@H](NC(=O)NCc2cc(C)ccc2O)[C@@H]1n1cccn1 ZINC000858494809 1294133377 /nfs/dbraw/zinc/13/33/77/1294133377.db2.gz ODKWGCMQBLFUKD-UAGQMJEPSA-N 0 0 344.415 2.115 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000858803132 1294231262 /nfs/dbraw/zinc/23/12/62/1294231262.db2.gz SZZDQMGXUIDIJD-HHQVKEKDSA-N 0 0 346.383 2.380 10 10 EECERN CCCOc1cncc(NC(=O)C(=O)NCc2cc(C)ccc2O)c1 ZINC000862025463 1295660151 /nfs/dbraw/zinc/66/01/51/1295660151.db2.gz VDDQHAICFIRYBT-UHFFFAOYSA-N 0 0 343.383 2.139 10 10 EECERN COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(Cl)ccc1O ZINC000862516202 1295865309 /nfs/dbraw/zinc/86/53/09/1295865309.db2.gz MMWFGXPOPPXWIR-RISCZKNCSA-N 0 0 327.808 2.494 10 10 EECERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862759240 1295953330 /nfs/dbraw/zinc/95/33/30/1295953330.db2.gz YXEJBMMICXGADU-JSGCOSHPSA-N 0 0 336.457 2.264 10 10 EECERN Cc1cc(CNC(=O)CCc2cn(C)nn2)c(C)n1-c1ccccc1 ZINC000863163744 1296134218 /nfs/dbraw/zinc/13/42/18/1296134218.db2.gz NZVVFJUEZVTOKV-UHFFFAOYSA-N 0 0 337.427 2.472 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(C)c1C1CC1 ZINC000797645238 1304795950 /nfs/dbraw/zinc/79/59/50/1304795950.db2.gz CPTAZLHVTWSXPW-SNVBAGLBSA-N 0 0 330.388 2.461 10 10 EECERN COC(=O)c1ccc(/C=C\C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC001124552117 1310915534 /nfs/dbraw/zinc/91/55/34/1310915534.db2.gz BNFZAIGOZIYWNQ-LUAWRHEFSA-N 0 0 328.368 2.462 10 10 EECERN COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cc(C)cc(C)c1 ZINC001138682088 1314643172 /nfs/dbraw/zinc/64/31/72/1314643172.db2.gz WSTGPUVPRWARGA-GOSISDBHSA-N 0 0 343.379 2.288 10 10 EECERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917137 1315259128 /nfs/dbraw/zinc/25/91/28/1315259128.db2.gz ACJZZSKJUCXGHP-SUMWQHHRSA-N 0 0 349.500 2.030 10 10 EECERN COCCOc1cccc(CNC(=O)NCCc2ccc(N)cc2)c1 ZINC000841700006 1315600242 /nfs/dbraw/zinc/60/02/42/1315600242.db2.gz SSNHVIPMWVQLEP-UHFFFAOYSA-N 0 0 343.427 2.336 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC(OC4CCC4)CC3)cc2N1 ZINC000842045009 1315654268 /nfs/dbraw/zinc/65/42/68/1315654268.db2.gz KRBNGILGTILXGS-UHFFFAOYSA-N 0 0 347.371 2.464 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)N(CCO)C[C@H]2C)c1O ZINC000842163959 1315670252 /nfs/dbraw/zinc/67/02/52/1315670252.db2.gz TUEFICGWNPCSNH-NWDGAFQWSA-N 0 0 340.851 2.135 10 10 EECERN O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1Cc2cccc(O)c2C1 ZINC001152565799 1316690734 /nfs/dbraw/zinc/69/07/34/1316690734.db2.gz QQWJSLBGHXSQLN-ZDUSSCGKSA-N 0 0 340.354 2.427 10 10 EECERN CCc1nc(C(=O)NCc2c(O)cccc2O)nn1-c1ccccc1 ZINC001156881297 1318257584 /nfs/dbraw/zinc/25/75/84/1318257584.db2.gz XVZUGYZTZFMWBG-UHFFFAOYSA-N 0 0 338.367 2.171 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC001299574335 1319527258 /nfs/dbraw/zinc/52/72/58/1319527258.db2.gz PRLOLHXQFWMICA-ZBFHGGJFSA-N 0 0 327.336 2.018 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccn(C3CCOCC3)n2)cc1F ZINC001261793296 1322177586 /nfs/dbraw/zinc/17/75/86/1322177586.db2.gz DAZQAWLYUALZDJ-UHFFFAOYSA-N 0 0 346.406 2.370 10 10 EECERN CCOc1ccc(N2CCN(Cc3[nH]nc4c3COCC4)CC2)cc1 ZINC001262235221 1322259478 /nfs/dbraw/zinc/25/94/78/1322259478.db2.gz XPYZIMGPXOMQLR-UHFFFAOYSA-N 0 0 342.443 2.203 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\SC ZINC001295590916 1329824280 /nfs/dbraw/zinc/82/42/80/1329824280.db2.gz SXDKZJJWDWAYLU-WAYWQWQTSA-N 0 0 329.805 2.424 10 10 EECERN O=C(Cc1ccnc(F)c1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001301349379 1331297351 /nfs/dbraw/zinc/29/73/51/1331297351.db2.gz FWBXSEPOYLJQOJ-UHFFFAOYSA-N 0 0 343.402 2.041 10 10 EECERN COC(=O)C[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(C)c1 ZINC001302852470 1331338194 /nfs/dbraw/zinc/33/81/94/1331338194.db2.gz NPFAJSQMXBTHCA-CQSZACIVSA-N 0 0 329.352 2.440 10 10 EECERN CN1CCCc2cc(CNC(=O)C(=O)N3CCCC3(C)C)ccc21 ZINC001322546814 1333280720 /nfs/dbraw/zinc/28/07/20/1333280720.db2.gz GINOPUNUHVMYBR-UHFFFAOYSA-N 0 0 329.444 2.086 10 10 EECERN CC1(C)CCCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001325650664 1333932959 /nfs/dbraw/zinc/93/29/59/1333932959.db2.gz PCTLNYRFNOSXTI-UHFFFAOYSA-N 0 0 329.444 2.304 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@]12CCOC2 ZINC001328828211 1334530254 /nfs/dbraw/zinc/53/02/54/1334530254.db2.gz OFTRHSUTLDKATG-SFHVURJKSA-N 0 0 347.484 2.314 10 10 EECERN Cc1cc(CC(=O)N2CN(C)C(=O)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001328896519 1334543166 /nfs/dbraw/zinc/54/31/66/1334543166.db2.gz LUFAUMMABHVRQT-HNNXBMFYSA-N 0 0 325.412 2.283 10 10 EECERN COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])cc1C ZINC001329016869 1334569056 /nfs/dbraw/zinc/56/90/56/1334569056.db2.gz USMYEGIFLVJBGP-NWDGAFQWSA-N 0 0 346.431 2.037 10 10 EECERN C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001332338632 1335805488 /nfs/dbraw/zinc/80/54/88/1335805488.db2.gz GZWAZRNIFACETD-ZBFHGGJFSA-N 0 0 349.450 2.120 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[C@H](OCC)C1 ZINC001334265619 1336230754 /nfs/dbraw/zinc/23/07/54/1336230754.db2.gz JQVIIWGCOFRLFF-WKILWMFISA-N 0 0 348.443 2.205 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001558534581 1342480473 /nfs/dbraw/zinc/48/04/73/1342480473.db2.gz VEEFZPIZYDMRBX-UHFFFAOYSA-N 0 0 327.296 2.417 10 10 EECERN C/C=C(/C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001577909988 1344212732 /nfs/dbraw/zinc/21/27/32/1344212732.db2.gz LQEABYCHIRTGOQ-YPCGIDRASA-N 0 0 343.387 2.146 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@@H](O)c3cnn(C)c3)cc2)CC1 ZINC001585541162 1348806621 /nfs/dbraw/zinc/80/66/21/1348806621.db2.gz WAEYFGQWXBAOJA-SFHVURJKSA-N 0 0 342.443 2.006 10 10 EECERN COc1cccc(CNC(=O)c2ccc(-c3cnn(C)c3)o2)c1O ZINC001622779545 1352388944 /nfs/dbraw/zinc/38/89/44/1352388944.db2.gz RIKBAHSBRUVVGJ-UHFFFAOYSA-N 0 0 327.340 2.324 10 10 EECERN COc1cccc(CNC(=O)[C@H](C)N2CSCCSC2)c1O ZINC001622779029 1352388976 /nfs/dbraw/zinc/38/89/76/1352388976.db2.gz HHKUPLCXCJJWGP-NSHDSACASA-N 0 0 342.486 2.103 10 10 EECERN COc1cccc(CNC(=O)c2cc(-c3ccccc3O)n[nH]2)c1O ZINC001622772728 1352389187 /nfs/dbraw/zinc/38/91/87/1352389187.db2.gz DQVSGMXIUFGOFW-UHFFFAOYSA-N 0 0 339.351 2.427 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1cnn(Cc2ccccc2)c1 ZINC001624506913 1352423293 /nfs/dbraw/zinc/42/32/93/1352423293.db2.gz IQBGHVRQHROEOB-UHFFFAOYSA-N 0 0 337.379 2.202 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nn(C)c2ccccc12 ZINC001638347529 1352687775 /nfs/dbraw/zinc/68/77/75/1352687775.db2.gz HZVGAVHEJGEACH-LLVKDONJSA-N 0 0 325.368 2.346 10 10 EECERN O=C(Cn1cc(Br)cn1)NCc1cccc(Cl)c1O ZINC001647827160 1353404115 /nfs/dbraw/zinc/40/41/15/1353404115.db2.gz ZMDJSGNBZDWNBS-UHFFFAOYSA-N 0 0 344.596 2.321 10 10 EECERN CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001652359503 1354089585 /nfs/dbraw/zinc/08/95/85/1354089585.db2.gz LXKGIVXBWVMOGK-ZDUSSCGKSA-N 0 0 345.403 2.368 10 10 EECERN C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)CC1CC1 ZINC001680036004 1357791482 /nfs/dbraw/zinc/79/14/82/1357791482.db2.gz MJMSXYNSPCWMKC-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN CC(=O)N[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC001680984614 1357936672 /nfs/dbraw/zinc/93/66/72/1357936672.db2.gz MORUBGNQSOOIOM-CYBMUJFWSA-N 0 0 333.392 2.130 10 10 EECERN COc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000918745434 769365689 /nfs/dbraw/zinc/36/56/89/769365689.db2.gz KNHRKZQQCUAQSU-YPMHNXCESA-N 0 0 348.321 2.310 10 10 EECERN O=S(=O)(CCOCc1ccccc1)NCc1c(O)cccc1F ZINC000921452642 773383021 /nfs/dbraw/zinc/38/30/21/773383021.db2.gz UZDBGZWQBKYXKY-UHFFFAOYSA-N 0 0 339.388 2.168 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@@H]2CC(c3ccccn3)=NO2)cc1F ZINC000906453614 783924572 /nfs/dbraw/zinc/92/45/72/783924572.db2.gz JZQYAIXDXIAEGW-KRWDZBQOSA-N 0 0 342.374 2.096 10 10 EECERN COc1ccc(O)c(CNC(=O)c2[nH]nc(C)c2C(F)(F)F)c1 ZINC000907060919 784358827 /nfs/dbraw/zinc/35/88/27/784358827.db2.gz QHTRQLYCVARFPA-UHFFFAOYSA-N 0 0 329.278 2.381 10 10 EECERN COc1ccc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cn1 ZINC000907275995 784492217 /nfs/dbraw/zinc/49/22/17/784492217.db2.gz YKUJJRICBNJADT-GFCCVEGCSA-N 0 0 330.384 2.181 10 10 EECERN CC[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000817157200 784547581 /nfs/dbraw/zinc/54/75/81/784547581.db2.gz ZWQTYHBABJOJAI-AEFFLSMTSA-N 0 0 347.459 2.280 10 10 EECERN CNC(=O)[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000817284630 784627907 /nfs/dbraw/zinc/62/79/07/784627907.db2.gz ZQYZRNLBSWGADF-INIZCTEOSA-N 0 0 339.439 2.345 10 10 EECERN Cc1nc([C@](C)(NC(=O)/C=C\c2ccc(O)c(O)c2)C2CC2)no1 ZINC000817630107 784862085 /nfs/dbraw/zinc/86/20/85/784862085.db2.gz FSQHQJASDLEICO-RLXIPRIJSA-N 0 0 329.356 2.244 10 10 EECERN O=C(/C=C\[C@H]1CCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000819300375 785491564 /nfs/dbraw/zinc/49/15/64/785491564.db2.gz ASVUYGWGAZQRKN-QULHZPMSSA-N 0 0 344.455 2.247 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(C)nc1Cl ZINC000822269876 787101157 /nfs/dbraw/zinc/10/11/57/787101157.db2.gz UTISEZDTTVEQGP-UHFFFAOYSA-N 0 0 348.834 2.182 10 10 EECERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276407 787346989 /nfs/dbraw/zinc/34/69/89/787346989.db2.gz MFHYEYMDZNEFHG-DTTOXWODSA-N 0 0 332.444 2.309 10 10 EECERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000911894295 787800258 /nfs/dbraw/zinc/80/02/58/787800258.db2.gz YAHSRLZEAZVLLM-DLBZAZTESA-N 0 0 348.443 2.179 10 10 EECERN CCc1noc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000823565844 787821354 /nfs/dbraw/zinc/82/13/54/787821354.db2.gz WOCOYFMVPWNDPP-NSHDSACASA-N 0 0 331.376 2.041 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCOC3(C)C)C2)cc1 ZINC000823661580 787857831 /nfs/dbraw/zinc/85/78/31/787857831.db2.gz YXXJXRUWDQONFN-PBHICJAKSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCCC(=O)[C@H]3C)C2)cc1 ZINC000923189600 789090774 /nfs/dbraw/zinc/09/07/74/789090774.db2.gz YQYUBYHKJRRKFX-KGLIPLIRSA-N 0 0 331.416 2.037 10 10 EECERN CN1CCN(C(=O)Cc2cccc(NCc3ccccc3O)c2)CC1 ZINC000152446006 794942250 /nfs/dbraw/zinc/94/22/50/794942250.db2.gz WZUKXENFQMKSJI-UHFFFAOYSA-N 0 0 339.439 2.321 10 10 EECERN CSC[C@](C)(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001119592580 798441729 /nfs/dbraw/zinc/44/17/29/798441729.db2.gz HZJXDCGBYDIZSE-CQSZACIVSA-N 0 0 327.427 2.156 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cnc(F)c(Br)c1 ZINC001176756035 798570858 /nfs/dbraw/zinc/57/08/58/798570858.db2.gz VRXLLNFUUNELFB-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN CCc1nnc([C@@H]2C[C@@H](O)CN2Cc2ccc(N(C)C)c(C)c2)[nH]1 ZINC001176951496 798654878 /nfs/dbraw/zinc/65/48/78/798654878.db2.gz ISSCXNGICYFBHE-ZBFHGGJFSA-N 0 0 329.448 2.049 10 10 EECERN Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1c(O)cccc1O ZINC001178911690 799697177 /nfs/dbraw/zinc/69/71/77/799697177.db2.gz ORMTXIHISFXGPR-UHFFFAOYSA-N 0 0 347.321 2.351 10 10 EECERN Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1 ZINC000786788070 806890595 /nfs/dbraw/zinc/89/05/95/806890595.db2.gz CSQBQLZRQCQTBA-UHFFFAOYSA-N 0 0 328.441 2.268 10 10 EECERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000789862292 808249369 /nfs/dbraw/zinc/24/93/69/808249369.db2.gz HUZKQRPDSRGIKW-IJLUTSLNSA-N 0 0 340.445 2.270 10 10 EECERN O=C(NCc1ccccc1O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000792974100 810079790 /nfs/dbraw/zinc/07/97/90/810079790.db2.gz OIZMIMNHZYWLBZ-UHFFFAOYSA-N 0 0 345.302 2.122 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000808496275 812664738 /nfs/dbraw/zinc/66/47/38/812664738.db2.gz IKPQZFQZQBZGSL-UHFFFAOYSA-N 0 0 329.356 2.205 10 10 EECERN CC(=O)C(=O)COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000808510814 812682479 /nfs/dbraw/zinc/68/24/79/812682479.db2.gz JVJHYMRGGCCYIW-UHFFFAOYSA-N 0 0 334.309 2.033 10 10 EECERN COc1cc(C)c(Br)cc1C(=O)OCC(=O)C(C)=O ZINC000808549538 812716429 /nfs/dbraw/zinc/71/64/29/812716429.db2.gz GXCOFWHHGOVTGB-UHFFFAOYSA-N 0 0 329.146 2.081 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(OC)c2O)[C@@H]1SC ZINC000828122065 812731429 /nfs/dbraw/zinc/73/14/29/812731429.db2.gz ITRPBVYVBWKVLS-KYOSRNDESA-N 0 0 340.445 2.109 10 10 EECERN C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CC(c2ccccc2)=NO1 ZINC001566358397 1125597324 /nfs/dbraw/zinc/59/73/24/1125597324.db2.gz BTNWKIBMQLLHOZ-GOSISDBHSA-N 0 0 326.352 2.297 10 10 EECERN Cc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001440918226 1094172236 /nfs/dbraw/zinc/17/22/36/1094172236.db2.gz BRXTYASSXYAWNR-UHFFFAOYSA-N 0 0 328.368 2.046 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC001451417144 1097634360 /nfs/dbraw/zinc/63/43/60/1097634360.db2.gz LRHNIHQUGPXWNI-DDJMYBDESA-N 0 0 344.411 2.115 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC(O)(c2ccccc2)CC1 ZINC001447349480 1102500891 /nfs/dbraw/zinc/50/08/91/1102500891.db2.gz RQZZEPFTFDKKDM-UHFFFAOYSA-N 0 0 327.380 2.151 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC001471049083 1110516271 /nfs/dbraw/zinc/51/62/71/1110516271.db2.gz BJEPXNGFYJKVPG-HXUWFJFHSA-N 0 0 341.407 2.193 10 10 EECERN C[C@@H](CC(=O)OCc1ccccc1)NC(=O)c1c(F)ccc(O)c1O ZINC001472531830 1110558208 /nfs/dbraw/zinc/55/82/08/1110558208.db2.gz XTTLOXTYOCTBHG-NSHDSACASA-N 0 0 347.342 2.489 10 10 EECERN COc1cccc([C@H](CNC(=O)c2c(F)ccc(O)c2O)OC)c1 ZINC001472604670 1110560595 /nfs/dbraw/zinc/56/05/95/1110560595.db2.gz FEFTVIMCMREXLN-AWEZNQCLSA-N 0 0 335.331 2.363 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001472755030 1110563010 /nfs/dbraw/zinc/56/30/10/1110563010.db2.gz JOHFBZJWDZNHLG-VIFPVBQESA-N 0 0 331.328 2.148 10 10 EECERN CNC(=O)[C@H]1CN(C(=O)/C(C)=C\c2cccnc2)c2ccccc2O1 ZINC001523461326 1119797911 /nfs/dbraw/zinc/79/79/11/1119797911.db2.gz KDORMWKJCNYNFQ-OJNOIJSXSA-N 0 0 337.379 2.025 10 10 EECERN CCCCC(=O)N1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001530233410 1121893792 /nfs/dbraw/zinc/89/37/92/1121893792.db2.gz NPTWXHRNAGUWRA-AWEZNQCLSA-N 0 0 349.431 2.010 10 10 EECERN Cc1nnc(N2CCOC[C@H]2C)n1CCCSc1nccs1 ZINC001543355620 1124128362 /nfs/dbraw/zinc/12/83/62/1124128362.db2.gz MFFWWPAWCLXILB-LLVKDONJSA-N 0 0 339.490 2.451 10 10 EECERN CC(C)(C)OC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CCCC1 ZINC001565873291 1125446583 /nfs/dbraw/zinc/44/65/83/1125446583.db2.gz VWUGCQNBQQDVBX-UHFFFAOYSA-N 0 0 335.400 2.411 10 10 EECERN CCNC(=O)CN(CC)C(=O)/C=C\c1ccc2c(c1)CCCN2C ZINC000096187989 285501659 /nfs/dbraw/zinc/50/16/59/285501659.db2.gz CTOJIPNZYJVJRG-LUAWRHEFSA-N 0 0 329.444 2.067 10 10 EECERN COc1cccc(CNC(=O)[C@@H]2CCCN2c2nccs2)c1O ZINC000155444373 462892982 /nfs/dbraw/zinc/89/29/82/462892982.db2.gz PRYHTPWMQRSJDH-LBPRGKRZSA-N 0 0 333.413 2.143 10 10 EECERN COc1c(CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)nn1C ZINC000121313552 463115218 /nfs/dbraw/zinc/11/52/18/463115218.db2.gz BPBVJYZXLKMVCT-UHFFFAOYSA-N 0 0 344.459 2.206 10 10 EECERN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nnc2n1CCCC2 ZINC000121411186 463131675 /nfs/dbraw/zinc/13/16/75/463131675.db2.gz KVXQOIVDCCFHPZ-GFCCVEGCSA-N 0 0 329.404 2.223 10 10 EECERN CCOc1cccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1O ZINC000122410013 463262009 /nfs/dbraw/zinc/26/20/09/463262009.db2.gz NQXTWXKVHIJWRX-INIZCTEOSA-N 0 0 331.416 2.197 10 10 EECERN Cc1cc(Br)cc(CN2CCS(=O)(=O)[C@H](C)C2)c1O ZINC000123396215 463338798 /nfs/dbraw/zinc/33/87/98/463338798.db2.gz FWOUILRIKJRSMY-SNVBAGLBSA-N 0 0 348.262 2.082 10 10 EECERN Cc1ccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c(O)c1O ZINC000179437423 464137052 /nfs/dbraw/zinc/13/70/52/464137052.db2.gz APPLTMHVKKHGOW-HNNXBMFYSA-N 0 0 340.379 2.110 10 10 EECERN Cc1cc(Cl)cc(CN2CCN(c3nc(N)ns3)CC2)c1O ZINC000271868798 464396476 /nfs/dbraw/zinc/39/64/76/464396476.db2.gz RTWCCUOYHTXTLO-UHFFFAOYSA-N 0 0 339.852 2.110 10 10 EECERN CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000274837711 464756282 /nfs/dbraw/zinc/75/62/82/464756282.db2.gz AKEKSTICUQEOJA-SFHVURJKSA-N 0 0 349.475 2.072 10 10 EECERN COc1ccc(N2CCN(CCCNc3nc(C)ns3)CC2)cc1 ZINC000266159224 464767679 /nfs/dbraw/zinc/76/76/79/464767679.db2.gz WFBLVONEDHIFRE-UHFFFAOYSA-N 0 0 347.488 2.479 10 10 EECERN CCc1nnc(CN(CCOC)c2ccc(OC)c(OC)c2)n1C ZINC000177130697 464939389 /nfs/dbraw/zinc/93/93/89/464939389.db2.gz IMPNKRWXIVEQRY-UHFFFAOYSA-N 0 0 334.420 2.048 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000301615044 465995924 /nfs/dbraw/zinc/99/59/24/465995924.db2.gz UVIIYFQCDBFNKN-RCFWFJCLSA-N 0 0 332.356 2.398 10 10 EECERN Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(O)c1O ZINC000373745085 466908067 /nfs/dbraw/zinc/90/80/67/466908067.db2.gz PEXZGJXHHKPTSZ-VBHSOAQHSA-N 0 0 335.400 2.205 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N3CN(C)C(=O)[C@H]3C)ccc21 ZINC000648645719 470310215 /nfs/dbraw/zinc/31/02/15/470310215.db2.gz QDTFFGLCFZXWSU-CQSZACIVSA-N 0 0 343.427 2.165 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cn(C)nc1C1CC1 ZINC000292152436 534233270 /nfs/dbraw/zinc/23/32/70/534233270.db2.gz XEVZXPPFWDDKKS-JTQLQIEISA-N 0 0 330.388 2.461 10 10 EECERN CCC(=O)N1CSC[C@H]1C(=O)NCCCSc1nccs1 ZINC000733973161 577266620 /nfs/dbraw/zinc/26/66/20/577266620.db2.gz VYOXQAKMOOZACG-JTQLQIEISA-N 0 0 345.515 2.053 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(-n3cncn3)c2)c1 ZINC000734548987 577306805 /nfs/dbraw/zinc/30/68/05/577306805.db2.gz QBTIOVLGKZIAJE-GFCCVEGCSA-N 0 0 338.367 2.473 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000775030932 577427130 /nfs/dbraw/zinc/42/71/30/577427130.db2.gz XGESELGKFMMLFZ-AWEZNQCLSA-N 0 0 330.222 2.094 10 10 EECERN Cn1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000766267223 577516126 /nfs/dbraw/zinc/51/61/26/577516126.db2.gz USRRDBWSRNYCHK-INIZCTEOSA-N 0 0 344.415 2.017 10 10 EECERN C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)cc(F)c1[O-] ZINC000756510711 577845373 /nfs/dbraw/zinc/84/53/73/577845373.db2.gz UDARMYKNXQVQKX-HQJQHLMTSA-N 0 0 331.185 2.223 10 10 EECERN C[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)cc(F)c1[O-] ZINC000756510710 577845377 /nfs/dbraw/zinc/84/53/77/577845377.db2.gz UDARMYKNXQVQKX-CPCISQLKSA-N 0 0 331.185 2.223 10 10 EECERN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(C)c2)C1 ZINC000749067683 577970757 /nfs/dbraw/zinc/97/07/57/577970757.db2.gz LRDGTFVUEIWBBV-ZEVQVBBLSA-N 0 0 335.407 2.497 10 10 EECERN Nc1c(C(=O)Nc2cccc(N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000749350818 577974982 /nfs/dbraw/zinc/97/49/82/577974982.db2.gz ITPYXYBHEXDCAM-UHFFFAOYSA-N 0 0 342.355 2.266 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1ccc2nc[nH]c2n1 ZINC000804735851 675610088 /nfs/dbraw/zinc/61/00/88/675610088.db2.gz GWNULHBYNNJFEG-UHFFFAOYSA-N 0 0 347.172 2.356 10 10 EECERN COC(=O)CCN(CC(=O)OC(C)(C)C)Cc1cc(F)ccc1O ZINC000895710481 684693095 /nfs/dbraw/zinc/69/30/95/684693095.db2.gz IDVSRTVUSCURCT-UHFFFAOYSA-N 0 0 341.379 2.238 10 10 EECERN O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000895773156 684718972 /nfs/dbraw/zinc/71/89/72/684718972.db2.gz OVFGTGILPPCBES-CYBMUJFWSA-N 0 0 345.226 2.084 10 10 EECERN O=C(N[C@H]1CCc2n[nH]cc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000896350085 684950162 /nfs/dbraw/zinc/95/01/62/684950162.db2.gz CYLKAMRAXINXHI-JTQLQIEISA-N 0 0 329.381 2.323 10 10 EECERN CN(C)c1ccc(/C=C/C[NH2+][C@@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000904006627 694266387 /nfs/dbraw/zinc/26/63/87/694266387.db2.gz YPJWRPRBYKIGTR-DKFQHHCZSA-N 0 0 331.460 2.295 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](N2CCCC2=O)C1 ZINC000897550029 691582951 /nfs/dbraw/zinc/58/29/51/691582951.db2.gz XZNMKXQDOHCHCW-NSHDSACASA-N 0 0 346.408 2.149 10 10 EECERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(OC)OC ZINC000897565518 691620060 /nfs/dbraw/zinc/62/00/60/691620060.db2.gz MSEDMNHNEIVELS-SECBINFHSA-N 0 0 325.386 2.440 10 10 EECERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](C[C@H]2CCCO2)C1=O ZINC000924714700 693261791 /nfs/dbraw/zinc/26/17/91/693261791.db2.gz CRVSYJICAMMPIM-WQVCFCJDSA-N 0 0 331.416 2.303 10 10 EECERN O=C(NCc1ccc(O)cc1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001142534039 1188238574 /nfs/dbraw/zinc/23/85/74/1188238574.db2.gz XDQCWWIJCRGEIH-UHFFFAOYSA-N 0 0 338.266 2.414 10 10 EECERN CCCCCC(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001720017742 1190999530 /nfs/dbraw/zinc/99/95/30/1190999530.db2.gz SEDTUZAYDPOWBW-UHFFFAOYSA-N 0 0 333.392 2.275 10 10 EECERN COC(=O)c1cc(OCCCS(=O)(=O)C(C)C)ccc1N(C)C ZINC000871793352 1197906526 /nfs/dbraw/zinc/90/65/26/1197906526.db2.gz MRJVEQFIUJLGCK-UHFFFAOYSA-N 0 0 343.445 2.131 10 10 EECERN CC/C=C(\F)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000864953988 1198015642 /nfs/dbraw/zinc/01/56/42/1198015642.db2.gz MAKPOFDFBXVKFM-WEFVFANESA-N 0 0 333.407 2.268 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1nnc(C2CC2)o1 ZINC000865984783 1198445262 /nfs/dbraw/zinc/44/52/62/1198445262.db2.gz PZUPIMGBOSFJEX-UHFFFAOYSA-N 0 0 338.161 2.345 10 10 EECERN CC(C)(C)N1CC[C@@](F)(C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000811448283 1200062952 /nfs/dbraw/zinc/06/29/52/1200062952.db2.gz SWZLQYJIPBYQOH-KRWDZBQOSA-N 0 0 339.363 2.036 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3CC[C@H](O)C3(C)C)CC2)cc1 ZINC000813058979 1201072540 /nfs/dbraw/zinc/07/25/40/1201072540.db2.gz QZOKOSYQKSGXMD-KRWDZBQOSA-N 0 0 347.459 2.219 10 10 EECERN CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000813047486 1201084119 /nfs/dbraw/zinc/08/41/19/1201084119.db2.gz PCMQFFLPFFCYMJ-MAUKXSAKSA-N 0 0 347.459 2.405 10 10 EECERN O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1Cc2cccc(O)c2C1 ZINC000871198971 1201096360 /nfs/dbraw/zinc/09/63/60/1201096360.db2.gz QLHPCLBAQOXDGE-CQSZACIVSA-N 0 0 328.412 2.416 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC000866205189 1201464127 /nfs/dbraw/zinc/46/41/27/1201464127.db2.gz BSPVCGUONSFUSQ-OAHLLOKOSA-N 0 0 342.399 2.366 10 10 EECERN COC(=O)c1ccc(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000866763836 1201600335 /nfs/dbraw/zinc/60/03/35/1201600335.db2.gz IDSWGFKZHGFBRX-NSHDSACASA-N 0 0 344.367 2.002 10 10 EECERN C[C@H](NS(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccccc1O ZINC000867836567 1201691096 /nfs/dbraw/zinc/69/10/96/1201691096.db2.gz XXTFTRUIFMRJLX-QMMMGPOBSA-N 0 0 349.334 2.184 10 10 EECERN O=C(CC1CSC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000868838959 1201890264 /nfs/dbraw/zinc/89/02/64/1201890264.db2.gz UYZLTYKNKFRWEA-UHFFFAOYSA-N 0 0 342.411 2.171 10 10 EECERN CO[C@@H]1CCn2cc(C(=O)NCc3cc(Cl)ccc3O)nc2C1 ZINC000869146033 1201950252 /nfs/dbraw/zinc/95/02/52/1201950252.db2.gz DRUDVBFXHHWPGJ-GFCCVEGCSA-N 0 0 335.791 2.133 10 10 EECERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928711179 1206414103 /nfs/dbraw/zinc/41/41/03/1206414103.db2.gz GLGRADWXQHSGCV-CHWSQXEVSA-N 0 0 336.407 2.432 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000305297937 1216165989 /nfs/dbraw/zinc/16/59/89/1216165989.db2.gz GZAQLYZEVWVOQN-UKRRQHHQSA-N 0 0 327.384 2.483 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC=C(c3ccnn3C)CC2)cc1 ZINC000796588168 1221442244 /nfs/dbraw/zinc/44/22/44/1221442244.db2.gz OKIALBYGMYVJEF-UHFFFAOYSA-N 0 0 339.443 2.485 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000826846180 1248089185 /nfs/dbraw/zinc/08/91/85/1248089185.db2.gz QMXZPEOQUIGFIE-JTQLQIEISA-N 0 0 337.767 2.067 10 10 EECERN CO[C@H](CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000827473665 1248158427 /nfs/dbraw/zinc/15/84/27/1248158427.db2.gz LAEPXBCBJZIPHS-MLGOLLRUSA-N 0 0 326.462 2.158 10 10 EECERN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CS1(=O)=O ZINC000850368214 1277202651 /nfs/dbraw/zinc/20/26/51/1277202651.db2.gz JWTNESCBBHLDAD-GXSJLCMTSA-N 0 0 348.262 2.210 10 10 EECERN COC(=O)c1ccnc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC001545683898 1290344156 /nfs/dbraw/zinc/34/41/56/1290344156.db2.gz DBEALJVLDKHSLK-JTQLQIEISA-N 0 0 330.340 2.073 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]2COC[C@H]2C1 ZINC000851986717 1291943502 /nfs/dbraw/zinc/94/35/02/1291943502.db2.gz FSBLLGUJLVVFCB-DLBZAZTESA-N 0 0 329.444 2.465 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC3CCC(C)(O)CC3)C2)cc1 ZINC000852189971 1292033973 /nfs/dbraw/zinc/03/39/73/1292033973.db2.gz FNUDOJSGVQGOBX-XAUUPUKJSA-N 0 0 347.459 2.267 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC3(OC)CCC3)C2)cc1 ZINC000852246504 1292062259 /nfs/dbraw/zinc/06/22/59/1292062259.db2.gz ANJWGZVFZKPOSL-AWEZNQCLSA-N 0 0 333.432 2.142 10 10 EECERN COC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C1CCOCC1 ZINC000852470680 1292122028 /nfs/dbraw/zinc/12/20/28/1292122028.db2.gz XDHLRWUKCWBSPM-CQSZACIVSA-N 0 0 342.823 2.286 10 10 EECERN C[C@H]1C[C@@H](NC(=O)NCCCSc2nccs2)c2ncnn21 ZINC000853855709 1292490315 /nfs/dbraw/zinc/49/03/15/1292490315.db2.gz DMYQENHKHOKBPI-VHSXEESVSA-N 0 0 338.462 2.222 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(O)CCC[C@H]3C)C2)cc1 ZINC000854297018 1292709441 /nfs/dbraw/zinc/70/94/41/1292709441.db2.gz IIJAPQMMAWJJFF-ZRGWGRIASA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C[C@@H](C)O)C(C)C)C2)cc1 ZINC000854299445 1292711209 /nfs/dbraw/zinc/71/12/09/1292711209.db2.gz JCWXDSVIVYTVDX-HUUCEWRRSA-N 0 0 335.448 2.075 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)C3CCOCC3)C2)cc1 ZINC000855233726 1293123063 /nfs/dbraw/zinc/12/30/63/1293123063.db2.gz LICAYEZNZRJZQL-HOCLYGCPSA-N 0 0 332.444 2.453 10 10 EECERN Cc1cc(CC(=O)NC[C@@H]2CCC(=O)N2)c(C)n1-c1ccccc1 ZINC000855934600 1293373402 /nfs/dbraw/zinc/37/34/02/1293373402.db2.gz SJJKVBBDTGLHIP-INIZCTEOSA-N 0 0 325.412 2.031 10 10 EECERN CCc1nc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)o1 ZINC000856213323 1293447132 /nfs/dbraw/zinc/44/71/32/1293447132.db2.gz HUPAQTFUKHJERX-UHFFFAOYSA-N 0 0 343.427 2.437 10 10 EECERN CCO[C@H](CS(=O)(=O)N[C@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000859006758 1294290307 /nfs/dbraw/zinc/29/03/07/1294290307.db2.gz MOHVQSOOGLQVSL-BDJLRTHQSA-N 0 0 343.445 2.196 10 10 EECERN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000862489102 1295857308 /nfs/dbraw/zinc/85/73/08/1295857308.db2.gz ZLLYVAFZUSMCIK-GFCCVEGCSA-N 0 0 336.344 2.051 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCc1ccn(C)n1 ZINC001233661105 1304550365 /nfs/dbraw/zinc/55/03/65/1304550365.db2.gz BOGFRKLSEPYELW-UHFFFAOYSA-N 0 0 341.459 2.404 10 10 EECERN C[C@@H]1[C@H](NC(=O)C2=CC(=O)CS2)CC(=O)N1Cc1ccccc1 ZINC000799200041 1305185679 /nfs/dbraw/zinc/18/56/79/1305185679.db2.gz WVVJDGDFYNDDRA-BXUZGUMPSA-N 0 0 330.409 2.373 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cnn2ccncc12 ZINC001117307832 1306026044 /nfs/dbraw/zinc/02/60/44/1306026044.db2.gz HXJDVAJWNGRDHU-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001119768247 1309196205 /nfs/dbraw/zinc/19/62/05/1309196205.db2.gz DLORHBPNUGOBRD-SDDRHHMPSA-N 0 0 339.486 2.046 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccnc2n[nH]nc21 ZINC000840557216 1315376385 /nfs/dbraw/zinc/37/63/85/1315376385.db2.gz ZNQFFRFXIGODGX-LBPRGKRZSA-N 0 0 338.415 2.088 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000840630306 1315385165 /nfs/dbraw/zinc/38/51/65/1315385165.db2.gz DAWOBXQQMXPDFI-VIFPVBQESA-N 0 0 332.274 2.465 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1nc2c(s1)CCC2 ZINC000841384038 1315543214 /nfs/dbraw/zinc/54/32/14/1315543214.db2.gz RWMNCNAMUBVUAD-UHFFFAOYSA-N 0 0 343.452 2.398 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCn2ncnc21 ZINC001142419458 1315601014 /nfs/dbraw/zinc/60/10/14/1315601014.db2.gz RXZUCWPBQLORJA-RHSMWYFYSA-N 0 0 341.459 2.277 10 10 EECERN O=C(CCc1nc(-c2cccs2)no1)NCc1ccc(O)cc1O ZINC001142529825 1315652633 /nfs/dbraw/zinc/65/26/33/1315652633.db2.gz HAUGVYFYOBJPII-UHFFFAOYSA-N 0 0 345.380 2.458 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1O ZINC000842163954 1315670342 /nfs/dbraw/zinc/67/03/42/1315670342.db2.gz TUEFICGWNPCSNH-NEPJUHHUSA-N 0 0 340.851 2.135 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)NCC[C@H](O)C(C)C)C2)cc1 ZINC001252116487 1317557722 /nfs/dbraw/zinc/55/77/22/1317557722.db2.gz SBANANWHZYUXCH-QAPCUYQASA-N 0 0 349.475 2.228 10 10 EECERN Cc1cc(CC(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001157294308 1318550357 /nfs/dbraw/zinc/55/03/57/1318550357.db2.gz SOBFJHMLTSLIMF-UHOSZYNNSA-N 0 0 342.439 2.027 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc2ccccc2n1C ZINC001293909110 1328836986 /nfs/dbraw/zinc/83/69/86/1328836986.db2.gz YWKJJODENHWIEL-LLVKDONJSA-N 0 0 325.368 2.404 10 10 EECERN O=C(CCN1CSCCSC1)NCc1c(O)cccc1F ZINC001303876234 1319886131 /nfs/dbraw/zinc/88/61/31/1319886131.db2.gz XYDZTDGOOKFKNI-UHFFFAOYSA-N 0 0 330.450 2.235 10 10 EECERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc2cccnc2c1O ZINC001299721379 1321987329 /nfs/dbraw/zinc/98/73/29/1321987329.db2.gz IWPPEJHWFKODEQ-UHFFFAOYSA-N 0 0 338.323 2.361 10 10 EECERN CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)CC1CC1 ZINC001297428418 1329971018 /nfs/dbraw/zinc/97/10/18/1329971018.db2.gz BLXDPNJTLNCGTA-ZDUSSCGKSA-N 0 0 345.403 2.274 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@](C)(F)C2)cc1 ZINC001324756568 1333753459 /nfs/dbraw/zinc/75/34/59/1333753459.db2.gz WGIAQQGUEZUFEQ-SFHVURJKSA-N 0 0 335.423 2.062 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC001326499401 1334105256 /nfs/dbraw/zinc/10/52/56/1334105256.db2.gz ZUEDSHFAYJVANF-JKSUJKDBSA-N 0 0 342.798 2.172 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc4nonc4c3)C2)cc1 ZINC001328374405 1334451625 /nfs/dbraw/zinc/45/16/25/1334451625.db2.gz QUCSNMGPRBIGKA-ZDUSSCGKSA-N 0 0 338.367 2.240 10 10 EECERN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cscn1)c1ccc(N(C)C)cc1 ZINC001328420671 1334456616 /nfs/dbraw/zinc/45/66/16/1334456616.db2.gz ORWYDGZUMNUJTN-NEPJUHHUSA-N 0 0 346.456 2.264 10 10 EECERN COC(=O)NC1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001329574595 1334676917 /nfs/dbraw/zinc/67/69/17/1334676917.db2.gz ZNVVHOZYWOXHLE-UHFFFAOYSA-N 0 0 341.411 2.203 10 10 EECERN COc1ccc(N2CCC(N3C(=O)N[C@](C)(CCF)C3=O)CC2)cc1 ZINC000849355104 1339153929 /nfs/dbraw/zinc/15/39/29/1339153929.db2.gz ZBFUHZLRSRLQOJ-GOSISDBHSA-N 0 0 349.406 2.334 10 10 EECERN CCCOC(=O)[C@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001620515299 1352360110 /nfs/dbraw/zinc/36/01/10/1352360110.db2.gz GXEZLBWRKBFBDD-AWEZNQCLSA-N 0 0 336.432 2.168 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H](O)[C@@H]2C)cc1 ZINC001556631276 1342432254 /nfs/dbraw/zinc/43/22/54/1342432254.db2.gz DAWCUPMNGJXAMM-KXBFYZLASA-N 0 0 340.423 2.431 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(C3(O)COC3)cc2)cc1 ZINC001556900707 1342438108 /nfs/dbraw/zinc/43/81/08/1342438108.db2.gz PUISQDOXMSGOJI-UHFFFAOYSA-N 0 0 340.339 2.319 10 10 EECERN CN1CCc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2C1=O ZINC001557393741 1342448013 /nfs/dbraw/zinc/44/80/13/1342448013.db2.gz TYNPDKQYDZFFLH-CLTKARDFSA-N 0 0 338.363 2.378 10 10 EECERN Cc1cc(C(=O)Nc2cnc(C(N)=O)s2)c(C)n1-c1ccccn1 ZINC001595383165 1349884975 /nfs/dbraw/zinc/88/49/75/1349884975.db2.gz VNUUOKYILYYLNS-UHFFFAOYSA-N 0 0 341.396 2.297 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@@H](O)c1ccccc1C(F)(F)F ZINC001622664169 1352387190 /nfs/dbraw/zinc/38/71/90/1352387190.db2.gz KDSKFRZCGWVASP-AWEZNQCLSA-N 0 0 341.285 2.466 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CSC(c2ccccc2)=N1 ZINC001622752979 1352388886 /nfs/dbraw/zinc/38/88/86/1352388886.db2.gz AOBRFGCRZJDLSE-AWEZNQCLSA-N 0 0 342.420 2.319 10 10 EECERN CN(C)C(=O)C[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001624679772 1352427628 /nfs/dbraw/zinc/42/76/28/1352427628.db2.gz SUTXOEXWUKKOBE-AWEZNQCLSA-N 0 0 328.368 2.047 10 10 EECERN CCCC(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001679090593 1357622750 /nfs/dbraw/zinc/62/27/50/1357622750.db2.gz OYOGLLDXCJGOOF-YEORSEQZSA-N 0 0 345.403 2.274 10 10 EECERN COC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cn1 ZINC001627070163 1352482092 /nfs/dbraw/zinc/48/20/92/1352482092.db2.gz XNYTYKPEYKWRGO-UHFFFAOYSA-N 0 0 337.335 2.052 10 10 EECERN CCCC[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001628951384 1352546228 /nfs/dbraw/zinc/54/62/28/1352546228.db2.gz WCMWWPGOEDBHJH-KRWDZBQOSA-N 0 0 346.475 2.472 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cnn(-c2ccc(F)cc2)c1 ZINC001630335540 1352568276 /nfs/dbraw/zinc/56/82/76/1352568276.db2.gz QJVWQWWZPDYZAT-UHFFFAOYSA-N 0 0 341.342 2.395 10 10 EECERN CCc1nc(NC(=O)Cc2ccc(O)c(O)c2)sc1C(=O)OC ZINC001636597496 1352667424 /nfs/dbraw/zinc/66/74/24/1352667424.db2.gz ZXIGCNLDQCXEKZ-UHFFFAOYSA-N 0 0 336.369 2.085 10 10 EECERN O=C(CNC(=O)c1cccc(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001643168354 1352741187 /nfs/dbraw/zinc/74/11/87/1352741187.db2.gz AGIVBZJMSSZVTI-UHFFFAOYSA-N 0 0 330.771 2.318 10 10 EECERN Cc1c(C(=O)NCc2c(O)cccc2O)nnn1-c1ccc(C)cc1 ZINC001645361016 1352777089 /nfs/dbraw/zinc/77/70/89/1352777089.db2.gz TYLSADIFFFDAFI-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN C[C@H]1CCN(c2cc(C(=O)NCc3cc(O)ccc3O)ccn2)C1 ZINC001651225377 1354044943 /nfs/dbraw/zinc/04/49/43/1354044943.db2.gz HJNQMCXYSFPLGL-LBPRGKRZSA-N 0 0 327.384 2.269 10 10 EECERN COC(=O)CCc1csc(NC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC001654415720 1354148267 /nfs/dbraw/zinc/14/82/67/1354148267.db2.gz ITJFVEMVSYNDOI-UHFFFAOYSA-N 0 0 340.332 2.051 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@H](O)[C@@H]3C)C2)cc1 ZINC001686856409 1358497259 /nfs/dbraw/zinc/49/72/59/1358497259.db2.gz QFIRUOPZBAYYML-MPGHIAIKSA-N 0 0 347.459 2.076 10 10 EECERN C/C(=C\c1cccnc1)C(=O)N(C)c1ccc(N2CCOCC2)nc1 ZINC000846959307 790780143 /nfs/dbraw/zinc/78/01/43/790780143.db2.gz GOLZJQMWMAPJMN-NTCAYCPXSA-N 0 0 338.411 2.380 10 10 EECERN Nc1c(C(=O)NCc2c(O)ccc3c2CCCC3)cnn1C1CC1 ZINC000907061949 784359640 /nfs/dbraw/zinc/35/96/40/784359640.db2.gz ZNGQNTXTLDKJQI-UHFFFAOYSA-N 0 0 326.400 2.315 10 10 EECERN C/C(=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CN1CCOCC1 ZINC000907493346 784674825 /nfs/dbraw/zinc/67/48/25/784674825.db2.gz QTSJVPRLFMQYHH-QJPKHSJYSA-N 0 0 331.460 2.208 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(F)(F)C[C@H]1CO ZINC000907589067 784742875 /nfs/dbraw/zinc/74/28/75/784742875.db2.gz OZRLUSHPSCDNRT-QMMMGPOBSA-N 0 0 329.324 2.155 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/[C@@H]1CCCO1 ZINC000819040167 785372275 /nfs/dbraw/zinc/37/22/75/785372275.db2.gz WGWULWDWUXSXLS-BLGFXRMMSA-N 0 0 330.428 2.217 10 10 EECERN CCc1cnc(CCN2C(=O)CN(Cc3ccccc3O)C2=O)s1 ZINC000819167943 785441709 /nfs/dbraw/zinc/44/17/09/785441709.db2.gz JBZGWMAZKOKGDH-UHFFFAOYSA-N 0 0 345.424 2.418 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3oc(CO)cc3C)C2)cc1 ZINC000819591085 785599868 /nfs/dbraw/zinc/59/98/68/785599868.db2.gz OAUZEAVGPJYVQH-CQSZACIVSA-N 0 0 344.411 2.345 10 10 EECERN CN1CCC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1=O ZINC000822819738 787404218 /nfs/dbraw/zinc/40/42/18/787404218.db2.gz ZBERNHKWGFUSBF-KRWDZBQOSA-N 0 0 329.444 2.162 10 10 EECERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CC(C)(O)C2)cc1 ZINC000822883982 787432172 /nfs/dbraw/zinc/43/21/72/787432172.db2.gz VLOHOLANBCVLHI-IPCDKGFNSA-N 0 0 346.471 2.421 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000911893622 787799734 /nfs/dbraw/zinc/79/97/34/787799734.db2.gz URMUEGLRGLPEMR-MSOLQXFVSA-N 0 0 332.444 2.405 10 10 EECERN CCc1cc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)nn1C ZINC000823839982 787957006 /nfs/dbraw/zinc/95/70/06/787957006.db2.gz PVJWULUMPYIRPE-ZDUSSCGKSA-N 0 0 343.431 2.392 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000824859156 788324550 /nfs/dbraw/zinc/32/45/50/788324550.db2.gz JXSVRNBEBNHXRN-BJWYYQGGSA-N 0 0 329.444 2.463 10 10 EECERN COc1ccc(N(C)CCN(C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000844580790 789230682 /nfs/dbraw/zinc/23/06/82/789230682.db2.gz ODJDXGAGEWXPPQ-MRXNPFEDSA-N 0 0 337.489 2.117 10 10 EECERN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)NCc2c(O)cccc2F)cn1 ZINC000923302904 789340798 /nfs/dbraw/zinc/34/07/98/789340798.db2.gz XGBDQYZIKBLHDA-CJNGLKHVSA-N 0 0 346.406 2.475 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)c2ccnn2C)cc1 ZINC000844856426 789403095 /nfs/dbraw/zinc/40/30/95/789403095.db2.gz KHSCZGJSRDMNLJ-CQSZACIVSA-N 0 0 330.432 2.127 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000844853935 789428628 /nfs/dbraw/zinc/42/86/28/789428628.db2.gz GWIDDJIPTZNADO-UHFFFAOYSA-N 0 0 344.371 2.207 10 10 EECERN COc1cc(Cl)cc(CN2CC(C)(C)O[C@@H]3COC[C@H]32)c1O ZINC000846118392 790056398 /nfs/dbraw/zinc/05/63/98/790056398.db2.gz OIKOFMXVNBJVPQ-TZMCWYRMSA-N 0 0 327.808 2.432 10 10 EECERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC001171717094 796701465 /nfs/dbraw/zinc/70/14/65/796701465.db2.gz IQDUPJULFLHONY-GFCCVEGCSA-N 0 0 348.424 2.134 10 10 EECERN O=C(NCc1c(O)cccc1O)c1csc(N2CCCCC2)n1 ZINC001178916958 799699852 /nfs/dbraw/zinc/69/98/52/799699852.db2.gz FNNBNBDBSWSILL-UHFFFAOYSA-N 0 0 333.413 2.475 10 10 EECERN COc1ccc(O)c(CNC(=O)NCC[C@@H](OC)C(F)(F)F)c1 ZINC000786764082 806879274 /nfs/dbraw/zinc/87/92/74/806879274.db2.gz PJWBEXLNCVUXHO-GFCCVEGCSA-N 0 0 336.310 2.167 10 10 EECERN CN(Cc1cccc(O)c1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000786794226 806892358 /nfs/dbraw/zinc/89/23/58/806892358.db2.gz YCQPIWZONIUVMP-UHFFFAOYSA-N 0 0 329.312 2.268 10 10 EECERN CN(Cc1ccccc1O)c1cc(Br)cnc1C(N)=O ZINC000786797629 806902736 /nfs/dbraw/zinc/90/27/36/806902736.db2.gz ZZWQUMOFCMIXSJ-UHFFFAOYSA-N 0 0 336.189 2.285 10 10 EECERN COc1nn(C)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000789318092 807939629 /nfs/dbraw/zinc/93/96/29/807939629.db2.gz FGPJCKJBBXLIAU-UHFFFAOYSA-N 0 0 330.388 2.335 10 10 EECERN CC(=O)C(=O)COC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000808513090 812682782 /nfs/dbraw/zinc/68/27/82/812682782.db2.gz VPADIFBJASJANO-UHFFFAOYSA-N 0 0 325.292 2.403 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000808519402 812687861 /nfs/dbraw/zinc/68/78/61/812687861.db2.gz AJHSSWQVMAKSOE-GHMZBOCLSA-N 0 0 330.258 2.390 10 10 EECERN CC(=O)C(=O)COC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000808542958 812712312 /nfs/dbraw/zinc/71/23/12/812712312.db2.gz LKWJFDMUYWENGA-GOSISDBHSA-N 0 0 349.383 2.128 10 10 EECERN COC(=O)c1cc(NC(=O)c2cccc(O)c2O)cc([N+](=O)[O-])c1 ZINC001444668559 1099508563 /nfs/dbraw/zinc/50/85/63/1099508563.db2.gz IQDLCHNYOOZNIH-UHFFFAOYSA-N 0 0 332.268 2.045 10 10 EECERN CC[C@H](O)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001446394326 1100782924 /nfs/dbraw/zinc/78/29/24/1100782924.db2.gz RNRWZKPXVFZNOX-INIZCTEOSA-N 0 0 329.396 2.440 10 10 EECERN CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001448067003 1103931442 /nfs/dbraw/zinc/93/14/42/1103931442.db2.gz GKVFKQWKZVDHOZ-JTQLQIEISA-N 0 0 332.282 2.234 10 10 EECERN Cc1cc(C(=O)N2CCN(C)C[C@H]2CO)c(C)n1-c1cccc(C)c1 ZINC001454221103 1106908612 /nfs/dbraw/zinc/90/86/12/1106908612.db2.gz MPZMUKCOVCHKDA-SFHVURJKSA-N 0 0 341.455 2.151 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCO[C@H](C(F)(F)F)C2)cc1OC ZINC001472701138 1110562345 /nfs/dbraw/zinc/56/23/45/1110562345.db2.gz FNUZTVZFVIDIEF-LBPRGKRZSA-N 0 0 336.266 2.380 10 10 EECERN C[C@H](NC(=O)CCC(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001521851980 1119279736 /nfs/dbraw/zinc/27/97/36/1119279736.db2.gz RBZJYXBLAXYIGA-ZDUSSCGKSA-N 0 0 342.395 2.372 10 10 EECERN CC[C@H](NC(C)=O)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001524849736 1120233435 /nfs/dbraw/zinc/23/34/35/1120233435.db2.gz QEKODPZIKGUHLK-ZDUSSCGKSA-N 0 0 337.383 2.250 10 10 EECERN COc1ccc(CN(C)C(=O)Cc2ccc(O)c(O)c2)c(OC)c1 ZINC001538680237 1124034569 /nfs/dbraw/zinc/03/45/69/1124034569.db2.gz DDCCRRDPHITAEF-UHFFFAOYSA-N 0 0 331.368 2.316 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000378119347 529780123 /nfs/dbraw/zinc/78/01/23/529780123.db2.gz YLPOKHQNMPCIQW-AWEZNQCLSA-N 0 0 327.432 2.175 10 10 EECERN CC1(C)COCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000071888784 203138363 /nfs/dbraw/zinc/13/83/63/203138363.db2.gz TWGBRBVMZDTIHV-VMPITWQZSA-N 0 0 330.428 2.174 10 10 EECERN CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CC(F)F ZINC000129258830 462696926 /nfs/dbraw/zinc/69/69/26/462696926.db2.gz ZHMNFFJWZDENLR-GFCCVEGCSA-N 0 0 328.359 2.282 10 10 EECERN COC(=O)[C@H]1C[C@@H](OC)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000125735940 463574242 /nfs/dbraw/zinc/57/42/42/463574242.db2.gz AITJNZOHOINEMJ-QZTJIDSGSA-N 0 0 332.444 2.439 10 10 EECERN C[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000164804719 463633002 /nfs/dbraw/zinc/63/30/02/463633002.db2.gz DTXQYWFVIHRPRC-XJKSGUPXSA-N 0 0 345.422 2.440 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000276982722 463829874 /nfs/dbraw/zinc/82/98/74/463829874.db2.gz YNASFGRRSPMTSX-UHFFFAOYSA-N 0 0 326.400 2.121 10 10 EECERN C[C@@H]1COCC[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277207175 463905804 /nfs/dbraw/zinc/90/58/04/463905804.db2.gz JYVNPQGCXDQEJC-ZWNOBZJWSA-N 0 0 338.791 2.235 10 10 EECERN C[C@H]1COCC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277506746 463918715 /nfs/dbraw/zinc/91/87/15/463918715.db2.gz ROHZSERBGXNTJI-JOYOIKCWSA-N 0 0 343.221 2.379 10 10 EECERN Cc1nnc([C@H](NC(=O)c2ccc(C)c(O)c2O)c2ccccc2)[nH]1 ZINC000179476190 464143385 /nfs/dbraw/zinc/14/33/85/464143385.db2.gz NTNONQFEVBPFKL-CQSZACIVSA-N 0 0 338.367 2.352 10 10 EECERN COCCC1(C)CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000293121049 464387364 /nfs/dbraw/zinc/38/73/64/464387364.db2.gz VHAWBIGGMFUISH-VMPITWQZSA-N 0 0 344.455 2.421 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCn2ncnc21 ZINC000177368437 464996692 /nfs/dbraw/zinc/99/66/92/464996692.db2.gz IAYFVFGBVAQFNA-HNNXBMFYSA-N 0 0 341.415 2.197 10 10 EECERN CN1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC000365790384 466940416 /nfs/dbraw/zinc/94/04/16/466940416.db2.gz SRIQLRWBIBFZOB-ZBFHGGJFSA-N 0 0 330.359 2.412 10 10 EECERN COCCCOc1ccc(N2CCC3(CC2)OCCO3)cc1OC ZINC000584615389 468907528 /nfs/dbraw/zinc/90/75/28/468907528.db2.gz CXEMDAPYZOVGGM-UHFFFAOYSA-N 0 0 337.416 2.454 10 10 EECERN Cc1cc(CCNC(=O)[C@H]2CCN(C)C2=O)c(C)n1-c1ccccc1 ZINC000771951996 577240859 /nfs/dbraw/zinc/24/08/59/577240859.db2.gz JOMZCZDURIAWEB-GOSISDBHSA-N 0 0 339.439 2.231 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000734687536 577318470 /nfs/dbraw/zinc/31/84/70/577318470.db2.gz HBZHFIUXQXYKAJ-UHFFFAOYSA-N 0 0 346.475 2.071 10 10 EECERN O=C1OCC[C@H]2CN(Cc3cc(Br)ccc3O)CCN12 ZINC000770386185 577595141 /nfs/dbraw/zinc/59/51/41/577595141.db2.gz MUGWOEMXHDSEIN-LBPRGKRZSA-N 0 0 341.205 2.181 10 10 EECERN CCOC(=O)[C@H](Cc1ccccn1)NCc1cccc(OCC)c1O ZINC000763481738 577721798 /nfs/dbraw/zinc/72/17/98/577721798.db2.gz UJNZQYJMECYSOR-INIZCTEOSA-N 0 0 344.411 2.450 10 10 EECERN COc1ccc(N2CCC(NC(=O)[C@@H](C)c3cncnc3)CC2)cc1 ZINC000764469680 577736921 /nfs/dbraw/zinc/73/69/21/577736921.db2.gz FGBYSTWTSACWBK-AWEZNQCLSA-N 0 0 340.427 2.374 10 10 EECERN CCn1nc(C)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000751307586 577750496 /nfs/dbraw/zinc/75/04/96/577750496.db2.gz XVILOAMKSKGXSH-UHFFFAOYSA-N 0 0 342.443 2.320 10 10 EECERN C[C@H](NC(=O)/C=C\c1ccncn1)c1ccc(N2CCOCC2)cc1 ZINC000754167500 577801558 /nfs/dbraw/zinc/80/15/58/577801558.db2.gz GBNXERLTQZLCJE-QZDDGCDVSA-N 0 0 338.411 2.204 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000755723636 577829960 /nfs/dbraw/zinc/82/99/60/577829960.db2.gz VAEQWXMZHSQFEJ-UHFFFAOYSA-N 0 0 340.427 2.430 10 10 EECERN Cc1cc(CCNC(=O)[C@H]2CN(C)CCO2)c(C)n1-c1ccccc1 ZINC000746106163 577922373 /nfs/dbraw/zinc/92/23/73/577922373.db2.gz NXULNBFRJCPMDA-LJQANCHMSA-N 0 0 341.455 2.083 10 10 EECERN Cc1cc(CCNC(=O)[C@@H]2CN(C)CCO2)c(C)n1-c1ccccc1 ZINC000746106154 577922387 /nfs/dbraw/zinc/92/23/87/577922387.db2.gz NXULNBFRJCPMDA-IBGZPJMESA-N 0 0 341.455 2.083 10 10 EECERN O=C(NCc1ccccc1O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000748346603 577959731 /nfs/dbraw/zinc/95/97/31/577959731.db2.gz PBUMWPUKMJYQRO-ZDUSSCGKSA-N 0 0 346.333 2.340 10 10 EECERN O=C(NCc1ccccc1O)NC1CCN(c2ccccn2)CC1 ZINC000748460916 577962198 /nfs/dbraw/zinc/96/21/98/577962198.db2.gz SDOFBNWRBQLMQC-UHFFFAOYSA-N 0 0 326.400 2.255 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(OCC(F)F)C1 ZINC000896827046 685305991 /nfs/dbraw/zinc/30/59/91/685305991.db2.gz BZVHPFLCOOPIFS-UHFFFAOYSA-N 0 0 329.324 2.419 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000294153338 683255326 /nfs/dbraw/zinc/25/53/26/683255326.db2.gz RCZIJVPKGARJCU-HZRUHFOJSA-N 0 0 334.372 2.380 10 10 EECERN COC(=O)CCN(CC(=O)OC(C)(C)C)Cc1cccc(C)c1O ZINC000895711913 684694052 /nfs/dbraw/zinc/69/40/52/684694052.db2.gz YZEHNCNMJKKFFB-UHFFFAOYSA-N 0 0 337.416 2.407 10 10 EECERN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000923983857 688278429 /nfs/dbraw/zinc/27/84/29/688278429.db2.gz LRMDOSZGNJVOPT-XYPYZODXSA-N 0 0 338.379 2.451 10 10 EECERN O=C(N[C@@H]1CCn2ccnc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000897448330 690558176 /nfs/dbraw/zinc/55/81/76/690558176.db2.gz IXLLVBLBOHDRTR-SNVBAGLBSA-N 0 0 329.381 2.254 10 10 EECERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)[S@@]1=O ZINC000897549367 691581847 /nfs/dbraw/zinc/58/18/47/691581847.db2.gz KODZSJGJUGDXNA-VDKUODGRSA-N 0 0 339.438 2.294 10 10 EECERN C[C@H](CNCc1ccon1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001271229612 1186093878 /nfs/dbraw/zinc/09/38/78/1186093878.db2.gz ZKLZYUFBCWHLRM-LLVKDONJSA-N 0 0 344.375 2.087 10 10 EECERN COc1ccc2onc(CC(=O)NCCc3ccc(O)c(O)c3)c2c1 ZINC001545669127 1189914575 /nfs/dbraw/zinc/91/45/75/1189914575.db2.gz LSZVGYUMWWNKAR-UHFFFAOYSA-N 0 0 342.351 2.149 10 10 EECERN CO[C@H]1CCn2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)nc2C1 ZINC000864635409 1197857735 /nfs/dbraw/zinc/85/77/35/1197857735.db2.gz ZSNAYMMVACYVEY-INIZCTEOSA-N 0 0 342.443 2.183 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/COC1CCOCC1 ZINC000865904275 1198419586 /nfs/dbraw/zinc/41/95/86/1198419586.db2.gz LHEBZJSALPMARO-SNAWJCMRSA-N 0 0 332.444 2.429 10 10 EECERN COC(=O)C[C@H](C)CC(=O)NCc1cc(Br)ccc1O ZINC000811523876 1200106354 /nfs/dbraw/zinc/10/63/54/1200106354.db2.gz RAFWHVZJRYDNOP-SECBINFHSA-N 0 0 344.205 2.360 10 10 EECERN Oc1ccc(Br)cc1CNC(=S)NC[C@H]1CCOC1 ZINC000795154246 1201014732 /nfs/dbraw/zinc/01/47/32/1201014732.db2.gz MMGOUJUDDUOFGP-SECBINFHSA-N 0 0 345.262 2.155 10 10 EECERN Cc1cc(C(=O)NC[C@H](O)[C@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000871127383 1201062705 /nfs/dbraw/zinc/06/27/05/1201062705.db2.gz CCKVTWTTZOLIFX-LRDDRELGSA-N 0 0 336.819 2.219 10 10 EECERN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000871197523 1201095161 /nfs/dbraw/zinc/09/51/61/1201095161.db2.gz BQJAQVMWMQLTIM-INIZCTEOSA-N 0 0 336.391 2.283 10 10 EECERN C[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000871203642 1201098452 /nfs/dbraw/zinc/09/84/52/1201098452.db2.gz PAGIPTCCOGYEPI-LBPRGKRZSA-N 0 0 345.420 2.442 10 10 EECERN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205384 1201099137 /nfs/dbraw/zinc/09/91/37/1201099137.db2.gz ZJWKHMJSUABDEY-UHFFFAOYSA-N 0 0 337.383 2.084 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2CCC2(F)F)cc1F ZINC000866672112 1201576490 /nfs/dbraw/zinc/57/64/90/1201576490.db2.gz GOYUVGUKDLHAMP-NSHDSACASA-N 0 0 336.379 2.356 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cccn(C3CC3)c2=O)c1 ZINC000866765307 1201600806 /nfs/dbraw/zinc/60/08/06/1201600806.db2.gz ULJUWJVANNSCMR-NSHDSACASA-N 0 0 328.368 2.388 10 10 EECERN C[C@H](NC(=O)NCCc1cn2c(n1)SCC2)c1ccccc1O ZINC000868506532 1201824208 /nfs/dbraw/zinc/82/42/08/1201824208.db2.gz GVYKYLKGDDZEEF-NSHDSACASA-N 0 0 332.429 2.297 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@H]2CCCn3nccc32)cc1F ZINC000869218298 1201967047 /nfs/dbraw/zinc/96/70/47/1201967047.db2.gz LDZGCKQLAJQCQE-AWEZNQCLSA-N 0 0 331.395 2.423 10 10 EECERN COc1ccc(N(C)C[C@@H](O)COC[C@@H]2CCCO2)cc1Cl ZINC000131451723 1202044634 /nfs/dbraw/zinc/04/46/34/1202044634.db2.gz KTEYNVODEXPMIR-KGLIPLIRSA-N 0 0 329.824 2.341 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CC2(CCC2)CO1 ZINC000925117410 1206071675 /nfs/dbraw/zinc/07/16/75/1206071675.db2.gz OMZZKHJVQNIIPX-CQSZACIVSA-N 0 0 330.384 2.116 10 10 EECERN O=C(NCCc1cccc2c1OCCO2)N1Cc2cccc(O)c2C1 ZINC000927554976 1206276014 /nfs/dbraw/zinc/27/60/14/1206276014.db2.gz RPRYYTYNAGFJMB-UHFFFAOYSA-N 0 0 340.379 2.431 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(C(F)F)ncn1 ZINC000930519259 1206564401 /nfs/dbraw/zinc/56/44/01/1206564401.db2.gz JPGMLIPZIWHFTA-UHFFFAOYSA-N 0 0 348.353 2.181 10 10 EECERN CSCCCC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000190582342 1209921266 /nfs/dbraw/zinc/92/12/66/1209921266.db2.gz WYCIIWOZLVWYCX-UHFFFAOYSA-N 0 0 349.500 2.115 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](C(F)F)C1 ZINC000194074581 1211083020 /nfs/dbraw/zinc/08/30/20/1211083020.db2.gz NZSPYOSDZKEMRD-HNNXBMFYSA-N 0 0 339.386 2.462 10 10 EECERN C[C@@]12COC[C@H]1CN(C(=O)c1csc(Cc3ccc(N)cc3)n1)C2 ZINC000851645585 1277699360 /nfs/dbraw/zinc/69/93/60/1277699360.db2.gz KTQQEUUBXYYBGA-FZKQIMNGSA-N 0 0 343.452 2.425 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccn(C(C)(C)C)c1=O ZINC000867302476 1285517719 /nfs/dbraw/zinc/51/77/19/1285517719.db2.gz PHJQHEPPGTYEMR-GFCCVEGCSA-N 0 0 344.411 2.376 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cscn3)C2)cc1 ZINC000852030492 1291962449 /nfs/dbraw/zinc/96/24/49/1291962449.db2.gz KTJRRJGMRVAEDK-GFCCVEGCSA-N 0 0 332.429 2.230 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2nccnc2C1 ZINC000852138058 1292008994 /nfs/dbraw/zinc/00/89/94/1292008994.db2.gz FPQPIZFQCLAPHL-UHFFFAOYSA-N 0 0 335.411 2.121 10 10 EECERN COC(=O)N(C)CCN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000852262116 1292070192 /nfs/dbraw/zinc/07/01/92/1292070192.db2.gz YYTFAASGBKGXAT-CYBMUJFWSA-N 0 0 336.436 2.153 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC[C@@H]3C)C2)cc1 ZINC000852327094 1292093764 /nfs/dbraw/zinc/09/37/64/1292093764.db2.gz QSQFZWZMHNIWNB-JYJNAYRXSA-N 0 0 347.459 2.246 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](C(C)C)C3)C2)cc1 ZINC000852454689 1292118942 /nfs/dbraw/zinc/11/89/42/1292118942.db2.gz QMYOKQVGPUMOHH-YJBOKZPZSA-N 0 0 347.459 2.340 10 10 EECERN Cc1cc(CC(=O)O[C@H](C)c2nnnn2C)c(C)n1-c1ccccc1 ZINC000853121174 1292289972 /nfs/dbraw/zinc/28/99/72/1292289972.db2.gz ADEACBAXISIZAF-CQSZACIVSA-N 0 0 339.399 2.465 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCC3(CO)CCC3)C2)cc1 ZINC000854296537 1292707513 /nfs/dbraw/zinc/70/75/13/1292707513.db2.gz JQMNFHPVVZPLME-HNNXBMFYSA-N 0 0 347.459 2.126 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CC(C)(C)O)C2)cc1 ZINC000854297497 1292709566 /nfs/dbraw/zinc/70/95/66/1292709566.db2.gz OZJWBIHHSRQFDQ-ZIAGYGMSSA-N 0 0 335.448 2.123 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]([C@@H](C)O)C3)C2)cc1 ZINC000854299188 1292710234 /nfs/dbraw/zinc/71/02/34/1292710234.db2.gz FXRKIAFAMRNSPR-OAGGEKHMSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC3(CO)CCCC3)C2)cc1 ZINC000854300112 1292711240 /nfs/dbraw/zinc/71/12/40/1292711240.db2.gz UXAJJLHJEOYPAQ-OAHLLOKOSA-N 0 0 347.459 2.126 10 10 EECERN CCC(CC)(CO)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300202 1292711268 /nfs/dbraw/zinc/71/12/68/1292711268.db2.gz PXSXKFIXHALBGT-HNNXBMFYSA-N 0 0 349.475 2.372 10 10 EECERN COC[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854300998 1292712006 /nfs/dbraw/zinc/71/20/06/1292712006.db2.gz GAEJGNDSVVPVJH-CVEARBPZSA-N 0 0 347.459 2.342 10 10 EECERN Cc1cc(CC(=O)N[C@@H](C)C(=O)NCCF)c(C)n1-c1ccccc1 ZINC000854342852 1292737863 /nfs/dbraw/zinc/73/78/63/1292737863.db2.gz AKYOZWUWLIYJDL-AWEZNQCLSA-N 0 0 345.418 2.227 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3nnn(C(C)C)c3C)C2)cc1 ZINC000855225785 1293118687 /nfs/dbraw/zinc/11/86/87/1293118687.db2.gz MDTVJCGCUQNVEB-AWEZNQCLSA-N 0 0 343.431 2.185 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3cn(C)nc3Cl)C2)cc1 ZINC000855227378 1293119688 /nfs/dbraw/zinc/11/96/88/1293119688.db2.gz WAHKAGAPCOJKMN-ZDUSSCGKSA-N 0 0 348.834 2.020 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[C@H]4CC(=O)[C@@H]3C4)C2)cc1 ZINC000855227110 1293120011 /nfs/dbraw/zinc/12/00/11/1293120011.db2.gz VSVCWNBCFOCPHF-IXKJSCDLSA-N 0 0 328.412 2.005 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CSCCS3)C2)cc1 ZINC000855232753 1293122166 /nfs/dbraw/zinc/12/21/66/1293122166.db2.gz XLOPQNQZRYACGN-DOMZBBRYSA-N 0 0 338.498 2.239 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)COc3ccccc3)C2)cc1 ZINC000855235163 1293123205 /nfs/dbraw/zinc/12/32/05/1293123205.db2.gz ZSUYYOVWAXVCEF-HNNXBMFYSA-N 0 0 326.396 2.469 10 10 EECERN Cc1cc(C(=O)N2CC[C@@H](O)C(F)(F)C2)c(C)n1-c1ccccn1 ZINC000855448296 1293216090 /nfs/dbraw/zinc/21/60/90/1293216090.db2.gz NLCREURHSVWDJV-CQSZACIVSA-N 0 0 335.354 2.331 10 10 EECERN CCO[C@@]1(C)C[C@H]1NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000858552868 1294152124 /nfs/dbraw/zinc/15/21/24/1294152124.db2.gz WLXFRSLIRUVXRC-BJZITVGISA-N 0 0 347.459 2.388 10 10 EECERN CN(C)c1ccc(CN(C)S(=O)(=O)[C@H]2COC(C)(C)C2)cc1 ZINC000858882973 1294252111 /nfs/dbraw/zinc/25/21/11/1294252111.db2.gz WGBHAGSXXVWLLC-OAHLLOKOSA-N 0 0 326.462 2.082 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858907402 1294258231 /nfs/dbraw/zinc/25/82/31/1294258231.db2.gz NQJNHIRMGRRVJV-QAPCUYQASA-N 0 0 347.459 2.340 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2(CO)CC2)cc1 ZINC000860388123 1294950621 /nfs/dbraw/zinc/95/06/21/1294950621.db2.gz MFDBGEXFBCHNNK-UHFFFAOYSA-N 0 0 326.396 2.090 10 10 EECERN COC[C@@]1(C)CN(Cc2ccc(Br)cc2O)CCO1 ZINC000862550991 1295878077 /nfs/dbraw/zinc/87/80/77/1295878077.db2.gz IYNHAUOLFNZOBX-CQSZACIVSA-N 0 0 330.222 2.392 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H](O)C(F)(F)F ZINC000798415420 1304993381 /nfs/dbraw/zinc/99/33/81/1304993381.db2.gz ICEQODNJGSJASK-CYBMUJFWSA-N 0 0 333.354 2.174 10 10 EECERN C[C@@H]1[C@@H](NC(=O)C2=CC(=O)CS2)CC(=O)N1Cc1ccccc1 ZINC000799200043 1305185979 /nfs/dbraw/zinc/18/59/79/1305185979.db2.gz WVVJDGDFYNDDRA-RISCZKNCSA-N 0 0 330.409 2.373 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC1(COC)CC1 ZINC001118229804 1306322415 /nfs/dbraw/zinc/32/24/15/1306322415.db2.gz GSXDQIJMJHOQIJ-UHFFFAOYSA-N 0 0 348.443 2.064 10 10 EECERN Nc1ccc(NC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000841302296 1315524951 /nfs/dbraw/zinc/52/49/51/1315524951.db2.gz RYVPJJOLEPMBRC-UHFFFAOYSA-N 0 0 340.427 2.423 10 10 EECERN CO[C@@H](CS(=O)(=O)Nc1ccc(O)c(Cl)c1)C1CCOCC1 ZINC000842588225 1315726966 /nfs/dbraw/zinc/72/69/66/1315726966.db2.gz MEKIVLIYWDJYMQ-AWEZNQCLSA-N 0 0 349.836 2.229 10 10 EECERN COc1ccc(N2CC[C@H](COC(=O)COC3CCOCC3)C2)cc1 ZINC000842877914 1315790167 /nfs/dbraw/zinc/79/01/67/1315790167.db2.gz FFWMFAOUFGGJNW-HNNXBMFYSA-N 0 0 349.427 2.260 10 10 EECERN Nc1ccc(CCNC(=O)C(=O)N2CCCC[C@H]2C2CCC2)cc1 ZINC000843265301 1315877327 /nfs/dbraw/zinc/87/73/27/1315877327.db2.gz SGOFZSGXPFJRGN-KRWDZBQOSA-N 0 0 329.444 2.109 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N[C@H](c3ccnn3C)C2=O)cc1 ZINC000843306315 1315887220 /nfs/dbraw/zinc/88/72/20/1315887220.db2.gz IWQPHXMRPSOUDC-MRXNPFEDSA-N 0 0 341.415 2.059 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cnn2cccc(Cl)c12 ZINC001150488953 1316278130 /nfs/dbraw/zinc/27/81/30/1316278130.db2.gz ZNMHPOLFSZVAMS-UHFFFAOYSA-N 0 0 331.759 2.371 10 10 EECERN COc1ccc(CNC(=O)c2cc(=O)c3ccccc3n2C)c(O)c1 ZINC001155575788 1317657400 /nfs/dbraw/zinc/65/74/00/1317657400.db2.gz XZADPSNUTNKGLL-UHFFFAOYSA-N 0 0 338.363 2.183 10 10 EECERN O=C(NC[C@@H](O)c1ccccc1Cl)c1c(F)ccc(O)c1O ZINC001160827312 1320281845 /nfs/dbraw/zinc/28/18/45/1320281845.db2.gz CVOIQYVPESYKRR-GFCCVEGCSA-N 0 0 325.723 2.354 10 10 EECERN O=C(C(=O)N1CCC[C@@H](C2CCC2)C1)N1Cc2cccc(O)c2C1 ZINC001261867823 1322190576 /nfs/dbraw/zinc/19/05/76/1322190576.db2.gz RQERYQMGODIAIA-CQSZACIVSA-N 0 0 328.412 2.273 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COCc1ccnn1C ZINC001264287268 1322669365 /nfs/dbraw/zinc/66/93/65/1322669365.db2.gz QAPABTIHFCXQJW-UHFFFAOYSA-N 0 0 342.443 2.196 10 10 EECERN O=C(NCc1ccccc1O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001294925598 1329764653 /nfs/dbraw/zinc/76/46/53/1329764653.db2.gz QBAODBVNPRCZSH-ZDUSSCGKSA-N 0 0 328.343 2.201 10 10 EECERN C[C@H]1CC(=O)Nc2ccc(C(=O)NCc3c(O)cccc3O)cc2N1 ZINC001304053802 1331375686 /nfs/dbraw/zinc/37/56/86/1331375686.db2.gz SMKJZMDPGIRMNO-JTQLQIEISA-N 0 0 341.367 2.170 10 10 EECERN O=C(CNC(=O)Nc1ccccc1)NCc1cccc(Cl)c1O ZINC001305069322 1331408500 /nfs/dbraw/zinc/40/85/00/1331408500.db2.gz DDZGQIRCDNHKHR-UHFFFAOYSA-N 0 0 333.775 2.484 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)CC(C)C ZINC001320520320 1332902249 /nfs/dbraw/zinc/90/22/49/1332902249.db2.gz VKYLDNWLZWAXRF-JSGCOSHPSA-N 0 0 337.416 2.370 10 10 EECERN CCOc1ccc(N2CCN(C[C@@H]3CN(C4CC4)C(=O)O3)CC2)cc1 ZINC001326706647 1334146938 /nfs/dbraw/zinc/14/69/38/1334146938.db2.gz GVYGAKOLGSKRAF-GOSISDBHSA-N 0 0 345.443 2.191 10 10 EECERN COc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)cnn1C ZINC001327111547 1334225147 /nfs/dbraw/zinc/22/51/47/1334225147.db2.gz BEHQLXYQZYMLDV-UHFFFAOYSA-N 0 0 328.416 2.349 10 10 EECERN Cc1ccc(O)c(CNS(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1 ZINC001328853301 1334535168 /nfs/dbraw/zinc/53/51/68/1334535168.db2.gz VSXNJRWQVRFUCM-GFCCVEGCSA-N 0 0 335.429 2.273 10 10 EECERN CN1CCN(c2ccc(CNc3ccn(CCF)n3)cc2F)CC1 ZINC001329732569 1334703958 /nfs/dbraw/zinc/70/39/58/1334703958.db2.gz JUEBZKCNGSKFSQ-UHFFFAOYSA-N 0 0 335.402 2.356 10 10 EECERN C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC001334120914 1336208260 /nfs/dbraw/zinc/20/82/60/1336208260.db2.gz HXJMCNPYWUYEKJ-BDJLRTHQSA-N 0 0 339.386 2.091 10 10 EECERN COC(=O)[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)C1 ZINC001350546542 1337722620 /nfs/dbraw/zinc/72/26/20/1337722620.db2.gz DGIPOGGWPQMAOP-LLVKDONJSA-N 0 0 348.428 2.122 10 10 EECERN CCn1nc(C)c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001352615649 1338003231 /nfs/dbraw/zinc/00/32/31/1338003231.db2.gz RTZBMZXDDZADRN-UHFFFAOYSA-N 0 0 327.432 2.479 10 10 EECERN CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000848559261 1338721577 /nfs/dbraw/zinc/72/15/77/1338721577.db2.gz RFRQFSDLOIJDOW-OQPBUACISA-N 0 0 336.201 2.342 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCn3ncnc32)cc1F ZINC001616925279 1352334027 /nfs/dbraw/zinc/33/40/27/1352334027.db2.gz VCWIRZYEZVJGHG-CQSZACIVSA-N 0 0 345.422 2.457 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CSc2ccccc2O1 ZINC001557192117 1342443032 /nfs/dbraw/zinc/44/30/32/1342443032.db2.gz LZJQTZGPDMFUJP-LBPRGKRZSA-N 0 0 331.393 2.310 10 10 EECERN Cc1cc(CN(C)CCNC(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001567321949 1342739376 /nfs/dbraw/zinc/73/93/76/1342739376.db2.gz KZOCNRJBYLVXFA-UHFFFAOYSA-N 0 0 344.375 2.007 10 10 EECERN COC(=O)[C@@]1(C(=O)NCc2c(O)cccc2O)C[C@H]1c1ccccc1 ZINC001597578725 1349928025 /nfs/dbraw/zinc/92/80/25/1349928025.db2.gz BPDIAIZLLLUHGU-LIRRHRJNSA-N 0 0 341.363 2.061 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001622664252 1352387202 /nfs/dbraw/zinc/38/72/02/1352387202.db2.gz NCYGNOVOCPSUOE-KGLIPLIRSA-N 0 0 328.324 2.426 10 10 EECERN O=C(Cc1cc(F)ccc1O)NCc1ccc(N2CCOCC2)cc1 ZINC001626698381 1352470913 /nfs/dbraw/zinc/47/09/13/1352470913.db2.gz MQVPPUUVOYUHKG-UHFFFAOYSA-N 0 0 344.386 2.227 10 10 EECERN CSc1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC001628793550 1352543601 /nfs/dbraw/zinc/54/36/01/1352543601.db2.gz NYIRBQPOQGZGEQ-UHFFFAOYSA-N 0 0 332.429 2.242 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1cn(Cc2ccccn2)nn1 ZINC001632223670 1352594809 /nfs/dbraw/zinc/59/48/09/1352594809.db2.gz MLPSEPYFMPZTSC-UHFFFAOYSA-N 0 0 343.774 2.010 10 10 EECERN CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001633888429 1352619589 /nfs/dbraw/zinc/61/95/89/1352619589.db2.gz WDILVYIBWHWCEQ-ZDUSSCGKSA-N 0 0 332.360 2.311 10 10 EECERN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@]2(CCCOC2)O1 ZINC001634155336 1352622567 /nfs/dbraw/zinc/62/25/67/1352622567.db2.gz HACFRUOEABHKEE-PXAZEXFGSA-N 0 0 346.387 2.259 10 10 EECERN COc1cc(OC)c(C(=O)NCc2cc(O)ccc2O)cc1OC ZINC001637122633 1352672129 /nfs/dbraw/zinc/67/21/29/1352672129.db2.gz KVTQDEMMNFANEM-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccncc1Br ZINC001642519688 1352732628 /nfs/dbraw/zinc/73/26/28/1352732628.db2.gz HDUHKMUMGFNJMN-UHFFFAOYSA-N 0 0 337.173 2.114 10 10 EECERN CCc1nc(C(=O)NCc2cc(O)ccc2O)nn1-c1ccccc1 ZINC001643882596 1352755108 /nfs/dbraw/zinc/75/51/08/1352755108.db2.gz ZVXPYHFEWGWMMI-UHFFFAOYSA-N 0 0 338.367 2.171 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@H](c3cnccn3)C2)cc1OC ZINC001651449481 1354053449 /nfs/dbraw/zinc/05/34/49/1354053449.db2.gz HLAVMXPSYBRBSM-NSHDSACASA-N 0 0 330.344 2.396 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001652623719 1354097131 /nfs/dbraw/zinc/09/71/31/1354097131.db2.gz ZZGIRXYJNBRBLT-INIZCTEOSA-N 0 0 330.315 2.046 10 10 EECERN COc1cccc2[nH]cc(CC(=O)NCc3c(O)cccc3O)c21 ZINC001652626254 1354097807 /nfs/dbraw/zinc/09/78/07/1354097807.db2.gz UOTRCRLLNWMXBU-UHFFFAOYSA-N 0 0 326.352 2.447 10 10 EECERN C[C@H](NC(=O)N1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001681778368 1358070028 /nfs/dbraw/zinc/07/00/28/1358070028.db2.gz ASIVYSZXTCCLGM-LJISPDSOSA-N 0 0 346.475 2.463 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(=O)[nH]n1 ZINC001682813444 1358175519 /nfs/dbraw/zinc/17/55/19/1358175519.db2.gz FHIFSTXFPXVLSE-UHFFFAOYSA-N 0 0 343.431 2.368 10 10 EECERN C[C@@H](NS(=O)(=O)c1ccnn1CC1CCC1)c1ccccc1O ZINC000919117454 769594227 /nfs/dbraw/zinc/59/42/27/769594227.db2.gz DBOPLUMTBNVKQC-GFCCVEGCSA-N 0 0 335.429 2.428 10 10 EECERN COC(=O)CC(C)(C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000919909563 770441585 /nfs/dbraw/zinc/44/15/85/770441585.db2.gz SBHNSFYHKMYBKQ-UHFFFAOYSA-N 0 0 345.443 2.451 10 10 EECERN COC(=O)C1(C(=O)NCc2ccc(OC)cc2O)CC2(CCC2)C1 ZINC000846948960 790769488 /nfs/dbraw/zinc/76/94/88/790769488.db2.gz DUSAQFCUWWSEKM-UHFFFAOYSA-N 0 0 333.384 2.141 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCO1 ZINC000906740499 784117670 /nfs/dbraw/zinc/11/76/70/784117670.db2.gz XDBBGSWCJYBRBC-BEFAXECRSA-N 0 0 346.471 2.327 10 10 EECERN CCc1nc(C)c(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1 ZINC000907274493 784490809 /nfs/dbraw/zinc/49/08/09/784490809.db2.gz QWUZAWVABZXDIP-NSHDSACASA-N 0 0 343.427 2.357 10 10 EECERN Cc1nc([C@](C)(NC(=O)/C=C/c2ccc(O)c(O)c2)C2CC2)no1 ZINC000817630105 784862157 /nfs/dbraw/zinc/86/21/57/784862157.db2.gz FSQHQJASDLEICO-IOMDMTNGSA-N 0 0 329.356 2.244 10 10 EECERN CC(C)N(CCOCCO)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000908066315 785060022 /nfs/dbraw/zinc/06/00/22/785060022.db2.gz QGXKCTJMLLWZCM-UHFFFAOYSA-N 0 0 339.413 2.172 10 10 EECERN O=C(NCCCSc1nccs1)c1cc2c(cn1)OCCO2 ZINC000819278066 785504305 /nfs/dbraw/zinc/50/43/05/785504305.db2.gz ROQMEHWMDVXDQD-UHFFFAOYSA-N 0 0 337.426 2.222 10 10 EECERN CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCOC1 ZINC000821032709 786566315 /nfs/dbraw/zinc/56/63/15/786566315.db2.gz FLBXVEVNUPKJKT-YJBOKZPZSA-N 0 0 332.444 2.295 10 10 EECERN CCOC(=O)C1CCC(CC(=O)NCc2ccc(O)cc2O)CC1 ZINC000910945804 787148175 /nfs/dbraw/zinc/14/81/75/787148175.db2.gz ZGLCVURWOOIMJK-UHFFFAOYSA-N 0 0 335.400 2.474 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3cn(C)nc3Cl)CC2)cc1 ZINC000822999286 787510352 /nfs/dbraw/zinc/51/03/52/787510352.db2.gz FHIQRSMHAJVWLN-UHFFFAOYSA-N 0 0 348.834 2.481 10 10 EECERN C[C@@H](NC(=O)C(C)(C)n1cccn1)c1ccc(N2CCOCC2)cc1 ZINC000823834315 787956125 /nfs/dbraw/zinc/95/61/25/787956125.db2.gz APSZIOZQZFLUBQ-OAHLLOKOSA-N 0 0 342.443 2.332 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)Nc2c(C)cnn2C)cc1 ZINC000824421444 788165118 /nfs/dbraw/zinc/16/51/18/788165118.db2.gz GECWROVDDQIBSD-UHFFFAOYSA-N 0 0 331.420 2.337 10 10 EECERN CCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCOC1 ZINC000824685471 788272997 /nfs/dbraw/zinc/27/29/97/788272997.db2.gz FDQSLADDYQDQMW-DOTOQJQBSA-N 0 0 347.459 2.342 10 10 EECERN Cc1ccc(O)c(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)c1 ZINC000912999950 788537943 /nfs/dbraw/zinc/53/79/43/788537943.db2.gz APGPKXSSEJAMNO-JTQLQIEISA-N 0 0 326.607 2.438 10 10 EECERN CN(C)c1ccc(CNC(=O)C(C)(C)NC(=O)COC(C)(C)C)cc1 ZINC000844308002 789003404 /nfs/dbraw/zinc/00/34/04/789003404.db2.gz VCJZFXDUHURISY-UHFFFAOYSA-N 0 0 349.475 2.079 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCCc4n[nH]cc43)C2)cc1 ZINC000923182912 789062811 /nfs/dbraw/zinc/06/28/11/789062811.db2.gz IXSHZRJLXYGVTH-CYBMUJFWSA-N 0 0 341.415 2.159 10 10 EECERN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000844935387 789470682 /nfs/dbraw/zinc/47/06/82/789470682.db2.gz CSTULWUDZLAFFQ-JTQLQIEISA-N 0 0 332.194 2.458 10 10 EECERN CCC[C@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000844909613 789480603 /nfs/dbraw/zinc/48/06/03/789480603.db2.gz HHASZEWARJXCBK-YJBOKZPZSA-N 0 0 349.475 2.120 10 10 EECERN CCc1ccncc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000845874284 789971563 /nfs/dbraw/zinc/97/15/63/789971563.db2.gz YRXJFLWZRKVNGZ-UHFFFAOYSA-N 0 0 340.427 2.273 10 10 EECERN COC(=O)CC1CC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000922053989 798768094 /nfs/dbraw/zinc/76/80/94/798768094.db2.gz HWRYVTWSEHUSLN-OPFPJEHXSA-N 0 0 333.432 2.455 10 10 EECERN O=C(NCCOCC(F)(F)C(F)F)NCc1c(O)cccc1F ZINC000922203174 799816007 /nfs/dbraw/zinc/81/60/07/799816007.db2.gz ASVNBYBJBXVUCQ-UHFFFAOYSA-N 0 0 342.264 2.248 10 10 EECERN CC(C)OC(=O)CC[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC000922272092 800183507 /nfs/dbraw/zinc/18/35/07/800183507.db2.gz MRFZVYUSWFDOLO-LLVKDONJSA-N 0 0 326.368 2.451 10 10 EECERN CN1CCCc2cc(CNC(=O)c3c[nH]cc(Cl)c3=O)ccc21 ZINC001182474817 801209196 /nfs/dbraw/zinc/20/91/96/801209196.db2.gz SHOQEGFDTWRSRN-UHFFFAOYSA-N 0 0 331.803 2.341 10 10 EECERN CCOCCCNC(=O)NCc1cc(Br)ccc1O ZINC000804871368 811056588 /nfs/dbraw/zinc/05/65/88/811056588.db2.gz IBNZXDCBQXRKDO-UHFFFAOYSA-N 0 0 331.210 2.381 10 10 EECERN COC1(c2ccccc2)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000804913426 811063788 /nfs/dbraw/zinc/06/37/88/811063788.db2.gz MWSKKECISGSLJG-NTMALXAHSA-N 0 0 325.364 2.495 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC000808515294 812685699 /nfs/dbraw/zinc/68/56/99/812685699.db2.gz DJGUKGDRJBRYLI-UHFFFAOYSA-N 0 0 344.367 2.222 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000808519403 812688059 /nfs/dbraw/zinc/68/80/59/812688059.db2.gz AJHSSWQVMAKSOE-MNOVXSKESA-N 0 0 330.258 2.390 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2COc3ccccc3[C@H]2O)cc1 ZINC001450629889 1094964449 /nfs/dbraw/zinc/96/44/49/1094964449.db2.gz QPZAWJVAZJMQIF-DZGCQCFKSA-N 0 0 340.339 2.073 10 10 EECERN C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1C(=O)OC(C)(C)C ZINC001452244271 1098344601 /nfs/dbraw/zinc/34/46/01/1098344601.db2.gz NCRUGWGDDXWKKT-JSGCOSHPSA-N 0 0 349.427 2.467 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)Cc2ccccc2)cc1 ZINC001444676229 1099518559 /nfs/dbraw/zinc/51/85/59/1099518559.db2.gz XUHDCOYZMWPRMZ-AWEZNQCLSA-N 0 0 340.383 2.430 10 10 EECERN Cn1cnc(/C=C/C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1 ZINC001457141701 1109486254 /nfs/dbraw/zinc/48/62/54/1109486254.db2.gz RMSPNBDFCSQURA-IWAYRVGRSA-N 0 0 333.395 2.460 10 10 EECERN Cc1cc(C)c(NC(=O)CNC(=O)Cc2ccc(O)c(O)c2)c(C)c1 ZINC001463941891 1110383816 /nfs/dbraw/zinc/38/38/16/1110383816.db2.gz QWNANTWNNRPGPY-UHFFFAOYSA-N 0 0 342.395 2.320 10 10 EECERN O=C(NCCOc1ncccc1F)NCc1cccc(Cl)c1O ZINC001469458581 1110491003 /nfs/dbraw/zinc/49/10/03/1110491003.db2.gz FAVBZMRLIJDGEO-UHFFFAOYSA-N 0 0 339.754 2.458 10 10 EECERN C[C@H](C(=O)NCc1c(O)ccc2ccccc21)[C@H](C)S(C)(=O)=O ZINC001472084662 1110541654 /nfs/dbraw/zinc/54/16/54/1110541654.db2.gz BJQJSYHVTIZBOM-RYUDHWBXSA-N 0 0 335.425 2.231 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCc3ccnc(N)c3C2)cc1OC ZINC001472900872 1110565410 /nfs/dbraw/zinc/56/54/10/1110565410.db2.gz ZHTQQAGUCKMOTP-UHFFFAOYSA-N 0 0 330.344 2.152 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1CCCO[C@@H]1CCOC1 ZINC001511780498 1118246341 /nfs/dbraw/zinc/24/63/41/1118246341.db2.gz UGHPLERQLNOYNG-MRXNPFEDSA-N 0 0 346.431 2.124 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C1\SCC(=O)N1C ZINC001540567577 1124086819 /nfs/dbraw/zinc/08/68/19/1124086819.db2.gz QVCMDYQAJIZSQB-WQRHYEAKSA-N 0 0 345.468 2.292 10 10 EECERN C[C@@H](NC(=O)Cc1ccnc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC001542403324 1124112982 /nfs/dbraw/zinc/11/29/82/1124112982.db2.gz RRRHSQZDQXWCFE-CQSZACIVSA-N 0 0 343.402 2.477 10 10 EECERN COc1ccc(C(=O)CCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC001545639204 1124200403 /nfs/dbraw/zinc/20/04/03/1124200403.db2.gz GGVNXBHNCYLPCS-UHFFFAOYSA-N 0 0 329.352 2.386 10 10 EECERN Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000366684774 238247735 /nfs/dbraw/zinc/24/77/35/238247735.db2.gz WVNRBCLYIYUEJU-ZDUSSCGKSA-N 0 0 346.383 2.442 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000296934953 465240555 /nfs/dbraw/zinc/24/05/55/465240555.db2.gz XFNYDUGGAXIHLZ-JVXZTZIISA-N 0 0 337.269 2.012 10 10 EECERN O=c1ccnc2sc(NCc3ccc(N4CCCC4)cc3)nn21 ZINC000044975673 462548214 /nfs/dbraw/zinc/54/82/14/462548214.db2.gz BJSJJAGCNDLTSG-UHFFFAOYSA-N 0 0 327.413 2.363 10 10 EECERN Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1ccccc1C ZINC000065903420 462838779 /nfs/dbraw/zinc/83/87/79/462838779.db2.gz CCRJQEHFZMYBDE-UHFFFAOYSA-N 0 0 325.412 2.365 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1[O-] ZINC000119498313 462906348 /nfs/dbraw/zinc/90/63/48/462906348.db2.gz ZAVOEEVZAQBZIJ-GFCCVEGCSA-N 0 0 337.767 2.382 10 10 EECERN C[C@@H](CCC(=O)NCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C ZINC000277746975 463930594 /nfs/dbraw/zinc/93/05/94/463930594.db2.gz NBMRVYCATUNNNB-NSHDSACASA-N 0 0 338.404 2.407 10 10 EECERN CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCN1CC(F)F ZINC000182959923 464765735 /nfs/dbraw/zinc/76/57/35/464765735.db2.gz CPRZWWRWLOZFBN-NSHDSACASA-N 0 0 328.359 2.208 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cnn(CCC(F)(F)F)c1 ZINC000183655010 464892741 /nfs/dbraw/zinc/89/27/41/464892741.db2.gz CKCINZRIYVDETI-UHFFFAOYSA-N 0 0 329.278 2.177 10 10 EECERN COCc1cc(N[C@@H](C)c2cc(OC)ccc2O)n2ncnc2n1 ZINC000301193124 465917323 /nfs/dbraw/zinc/91/73/23/465917323.db2.gz MJDMKMMFVPDMHH-JTQLQIEISA-N 0 0 329.360 2.158 10 10 EECERN CCOc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC000767773010 577544569 /nfs/dbraw/zinc/54/45/69/577544569.db2.gz KWPZGKPGVKKGTI-UHFFFAOYSA-N 0 0 346.339 2.377 10 10 EECERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc(OC)ccc1O ZINC000763481109 577721766 /nfs/dbraw/zinc/72/17/66/577721766.db2.gz RURWOPIYVCPJSJ-MRXNPFEDSA-N 0 0 330.384 2.060 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H]([C@H]4CCOC4)C3)cc2N1 ZINC000747844951 577951272 /nfs/dbraw/zinc/95/12/72/577951272.db2.gz NEWSSVDKBMJZSF-RYUDHWBXSA-N 0 0 347.371 2.179 10 10 EECERN O=C(CN1C(=O)CSc2ccccc21)NCc1ccccc1O ZINC000748354317 577960190 /nfs/dbraw/zinc/96/01/90/577960190.db2.gz ZUDZWSQALWGVNK-UHFFFAOYSA-N 0 0 328.393 2.147 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[S@](=O)CC ZINC000741422907 578119507 /nfs/dbraw/zinc/11/95/07/578119507.db2.gz NOGCEFIXWWTIBN-JOCHJYFZSA-N 0 0 325.478 2.053 10 10 EECERN O=C(CCCn1cccn1)NCc1cc(Br)ccc1O ZINC000804734448 675610420 /nfs/dbraw/zinc/61/04/20/675610420.db2.gz LODRWOBQXLAMSW-UHFFFAOYSA-N 0 0 338.205 2.448 10 10 EECERN Cc1cc(Br)c(O)c(CN2CC(=O)N(C)C[C@H]2C)c1 ZINC000783733203 682760765 /nfs/dbraw/zinc/76/07/65/682760765.db2.gz KUSHZSQUVPIGGT-SNVBAGLBSA-N 0 0 327.222 2.126 10 10 EECERN NC(=O)[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1c1ccccc1 ZINC000895005101 683461103 /nfs/dbraw/zinc/46/11/03/683461103.db2.gz KPFPGMWSENFYEN-UONOGXRCSA-N 0 0 332.350 2.371 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(CC2CC2)CC1 ZINC000895793514 684725803 /nfs/dbraw/zinc/72/58/03/684725803.db2.gz YLECHVHKLBGQEI-UHFFFAOYSA-N 0 0 332.425 2.480 10 10 EECERN Nc1ccc(Cc2noc([C@@H]3C[C@H]4CC[C@@H](C3)S4(=O)=O)n2)cc1 ZINC000904076573 694285561 /nfs/dbraw/zinc/28/55/61/694285561.db2.gz FIFHRMIEDUSUGH-DEZZGGKRSA-N 0 0 333.413 2.066 10 10 EECERN CO[C@@]1(C(=O)NCc2cc(Br)ccc2O)CCSC1 ZINC000897747762 691778679 /nfs/dbraw/zinc/77/86/79/691778679.db2.gz LORHRQDJGYRLON-ZDUSSCGKSA-N 0 0 346.246 2.293 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000897791236 691784038 /nfs/dbraw/zinc/78/40/38/691784038.db2.gz HEQUQHMHARCKMN-IKICRFKJSA-N 0 0 343.471 2.086 10 10 EECERN CCC(=O)N[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001746821412 1179553973 /nfs/dbraw/zinc/55/39/73/1179553973.db2.gz RVZQXCFNDOSLAH-ZDUSSCGKSA-N 0 0 333.392 2.130 10 10 EECERN C[C@H]1CCC[C@H](CCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842040859 1188238983 /nfs/dbraw/zinc/23/89/83/1188238983.db2.gz OIRHQYJCEQRCPF-GOEBONIOSA-N 0 0 331.460 2.260 10 10 EECERN CO[C@@H](C(=O)Nc1c2nonc2ccc1Cl)C(=O)OC(C)(C)C ZINC001128704052 1194977903 /nfs/dbraw/zinc/97/79/03/1194977903.db2.gz CJZYXQRRYMHPFR-NSHDSACASA-N 0 0 341.751 2.171 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)c1cccc2c1NC(=O)CO2 ZINC001128704723 1194979920 /nfs/dbraw/zinc/97/99/20/1194979920.db2.gz VUHNUBBXLBGHBG-UHFFFAOYSA-N 0 0 344.714 2.459 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@]12CCC[C@H]1OCC2 ZINC000864930629 1198003175 /nfs/dbraw/zinc/00/31/75/1198003175.db2.gz FDMXFHQWQQYLAP-MJGOQNOKSA-N 0 0 348.418 2.238 10 10 EECERN CO[C@@H]1CCn2cc(-c3nc(Cc4ccc(N)cc4)no3)nc2C1 ZINC000872171092 1198068909 /nfs/dbraw/zinc/06/89/09/1198068909.db2.gz OWPLJHMOICFUJI-CYBMUJFWSA-N 0 0 325.372 2.067 10 10 EECERN CN(C)c1ccc(CNCc2nnc(C3CCOCC3)[nH]2)cc1F ZINC000865686699 1198333221 /nfs/dbraw/zinc/33/32/21/1198333221.db2.gz GYDAKXXJLSTFLF-UHFFFAOYSA-N 0 0 333.411 2.194 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2nc([C@@H]3C[C@H]3C)no2)cc1 ZINC000866015666 1198455670 /nfs/dbraw/zinc/45/56/70/1198455670.db2.gz HPGKKXIOHCRMKF-IUODEOHRSA-N 0 0 344.415 2.410 10 10 EECERN CNC(=O)c1cccc(CCC(=O)N(C)Cc2ccccc2O)c1 ZINC000124589440 1198648257 /nfs/dbraw/zinc/64/82/57/1198648257.db2.gz JHTBLPOIVMDOMK-UHFFFAOYSA-N 0 0 326.396 2.343 10 10 EECERN O=C(N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)N1Cc2cccc(O)c2C1 ZINC000875875661 1199419329 /nfs/dbraw/zinc/41/93/29/1199419329.db2.gz ZVFQYRQHMDSASQ-PBHICJAKSA-N 0 0 341.367 2.048 10 10 EECERN COC1(CS(=O)(=O)NCc2ccc(N(C)C)cc2)CCCC1 ZINC000866425661 1201514539 /nfs/dbraw/zinc/51/45/39/1201514539.db2.gz USCMOCDHQZAEBC-UHFFFAOYSA-N 0 0 326.462 2.131 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)cc1 ZINC000869228271 1201969269 /nfs/dbraw/zinc/96/92/69/1201969269.db2.gz GMZQQNDVNPPBLF-ZYSHUDEJSA-N 0 0 344.455 2.453 10 10 EECERN CNC(=O)c1cccc(CCC(=O)NCc2cc(OC)ccc2O)c1 ZINC000134201646 1202291198 /nfs/dbraw/zinc/29/11/98/1202291198.db2.gz SNUHRTGEIIWBDK-UHFFFAOYSA-N 0 0 342.395 2.009 10 10 EECERN Cc1cc(CC(=O)NCc2nnc(C)n2C)c(C)n1-c1ccccc1 ZINC000826585316 1204457835 /nfs/dbraw/zinc/45/78/35/1204457835.db2.gz ZUXAWLJCYCYZMZ-UHFFFAOYSA-N 0 0 337.427 2.390 10 10 EECERN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000923902690 1205925934 /nfs/dbraw/zinc/92/59/34/1205925934.db2.gz LRMDOSZGNJVOPT-PHIMTYICSA-N 0 0 338.379 2.451 10 10 EECERN CCOC(=O)[C@@]1(F)CN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1CC ZINC000924488883 1205984192 /nfs/dbraw/zinc/98/41/92/1205984192.db2.gz VRHMKKVVVPCSGK-APPDUMDISA-N 0 0 339.363 2.160 10 10 EECERN COC(=O)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000924673198 1206015491 /nfs/dbraw/zinc/01/54/91/1206015491.db2.gz WNYGOEBOQOIEKW-KGXGESDWSA-N 0 0 333.384 2.349 10 10 EECERN C[C@H](NC(=O)NCc1nc(CN(C)C)cs1)c1ccccc1O ZINC000924787194 1206031600 /nfs/dbraw/zinc/03/16/00/1206031600.db2.gz JUAIHWMWSAUXKE-NSHDSACASA-N 0 0 334.445 2.471 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](C2OCCO2)C1 ZINC000927989322 1206323818 /nfs/dbraw/zinc/32/38/18/1206323818.db2.gz HDBWJZAYCHAHRR-VIFPVBQESA-N 0 0 335.381 2.148 10 10 EECERN COc1ccccc1[C@H](O)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000042310172 1208305258 /nfs/dbraw/zinc/30/52/58/1208305258.db2.gz LGQZNKKZBZFETJ-QGZVFWFLSA-N 0 0 343.427 2.294 10 10 EECERN O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCNC(=O)C1 ZINC000096904556 1213908723 /nfs/dbraw/zinc/90/87/23/1213908723.db2.gz LTLKIRWKIRJLGT-YFHOEESVSA-N 0 0 327.428 2.039 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000305297938 1216166067 /nfs/dbraw/zinc/16/60/67/1216166067.db2.gz GZAQLYZEVWVOQN-ZFWWWQNUSA-N 0 0 327.384 2.483 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NCCCc1ncn(C)n1 ZINC000827707692 1248662518 /nfs/dbraw/zinc/66/25/18/1248662518.db2.gz MYCBFOATOXGBOX-UHFFFAOYSA-N 0 0 331.420 2.075 10 10 EECERN CCC/C=C/[C@H](O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000900508425 1234428146 /nfs/dbraw/zinc/42/81/46/1234428146.db2.gz MZCNMJXSUQRKDU-QWNKOJSDSA-N 0 0 332.444 2.497 10 10 EECERN COC(=O)c1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)nc1 ZINC000803399922 1240285107 /nfs/dbraw/zinc/28/51/07/1240285107.db2.gz KLVKAQUHUARINC-CLTKARDFSA-N 0 0 329.308 2.036 10 10 EECERN Cn1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)[nH]c1=O ZINC001137343428 1250236733 /nfs/dbraw/zinc/23/67/33/1250236733.db2.gz OUHZQGDZRSJHHS-UHFFFAOYSA-N 0 0 327.340 2.267 10 10 EECERN CC1CCN(c2ccc(CNC(=O)c3cn(C)c(=O)[nH]3)cc2)CC1 ZINC000826868870 1248099656 /nfs/dbraw/zinc/09/96/56/1248099656.db2.gz XZRZSGLYRVGZDA-UHFFFAOYSA-N 0 0 328.416 2.292 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H](OC)[C@H]2CCOC2)cc1F ZINC000826940539 1248168057 /nfs/dbraw/zinc/16/80/57/1248168057.db2.gz DDROTKOJPWWIIR-YOEHRIQHSA-N 0 0 338.423 2.340 10 10 EECERN COc1cc(C(=O)NCc2ccc(O)c(O)c2)c([N+](=O)[O-])cc1F ZINC001137443535 1248460684 /nfs/dbraw/zinc/46/06/84/1248460684.db2.gz SVUOCPXUGHMNDT-UHFFFAOYSA-N 0 0 336.275 2.084 10 10 EECERN CC(C)Oc1ccc([C@H](O)CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001137360275 1250680919 /nfs/dbraw/zinc/68/09/19/1250680919.db2.gz WMBBVLWSKWZXRN-GOSISDBHSA-N 0 0 345.395 2.277 10 10 EECERN OC1CCN(c2ccc(CNCc3cc4n(n3)CCC4)cc2)CC1 ZINC000850406723 1277217208 /nfs/dbraw/zinc/21/72/08/1277217208.db2.gz QYSHUGZQYOYSTJ-UHFFFAOYSA-N 0 0 326.444 2.080 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(F)c(N)c3)C2)cc1 ZINC000851639879 1277696616 /nfs/dbraw/zinc/69/66/16/1277696616.db2.gz MDHPGXJCJBIBIM-CYBMUJFWSA-N 0 0 329.375 2.425 10 10 EECERN COC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000852140318 1292009929 /nfs/dbraw/zinc/00/99/29/1292009929.db2.gz HSXVMZVMITYSPJ-YOEHRIQHSA-N 0 0 335.448 2.244 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCn3cccc3)C2)cc1 ZINC000852192505 1292035943 /nfs/dbraw/zinc/03/59/43/1292035943.db2.gz RUEWSIKPJDHLOP-HNNXBMFYSA-N 0 0 328.416 2.075 10 10 EECERN COC[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852454990 1292118392 /nfs/dbraw/zinc/11/83/92/1292118392.db2.gz RQYGKXRVQONTNQ-HOCLYGCPSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(O)cc3)C2)cc1 ZINC000852455983 1292118399 /nfs/dbraw/zinc/11/83/99/1292118399.db2.gz XDJILNZUXVCZRV-HNNXBMFYSA-N 0 0 341.411 2.479 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCOCC3)C2)cc1 ZINC000852454911 1292118836 /nfs/dbraw/zinc/11/88/36/1292118836.db2.gz RBQJVBNUDMQDQK-CABCVRRESA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(C)C[C@H](C)O)C2)cc1 ZINC000852454535 1292119034 /nfs/dbraw/zinc/11/90/34/1292119034.db2.gz PJZITEPPTXRKEV-LSDHHAIUSA-N 0 0 349.475 2.370 10 10 EECERN Cc1cc(O)c(CN2CCN(S(C)(=O)=O)[C@H](C)C2)cc1C(C)C ZINC000853564254 1292417737 /nfs/dbraw/zinc/41/77/37/1292417737.db2.gz LENBDFODPHRKJN-CQSZACIVSA-N 0 0 340.489 2.290 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](CO)CC3)C2)cc1 ZINC000854296701 1292707574 /nfs/dbraw/zinc/70/75/74/1292707574.db2.gz GGGCOQSERDEBQQ-CVEARBPZSA-N 0 0 347.459 2.078 10 10 EECERN COC[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296690 1292708416 /nfs/dbraw/zinc/70/84/16/1292708416.db2.gz GCQCDYGUVJZMKY-DOTOQJQBSA-N 0 0 347.459 2.484 10 10 EECERN CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCO1 ZINC000854298229 1292710001 /nfs/dbraw/zinc/71/00/01/1292710001.db2.gz YOKWFQUIUYEOHA-NVXWUHKLSA-N 0 0 347.459 2.484 10 10 EECERN CCC[C@@](C)(O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301311 1292712149 /nfs/dbraw/zinc/71/21/49/1292712149.db2.gz NICGPLJXJBPWMF-KBXCAEBGSA-N 0 0 335.448 2.124 10 10 EECERN CCC[C@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(N)=O ZINC000854448378 1292787946 /nfs/dbraw/zinc/78/79/46/1292787946.db2.gz VEIUHKNGNZAZQN-KRWDZBQOSA-N 0 0 327.428 2.407 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccc(=O)[nH]c1 ZINC000854948272 1292998211 /nfs/dbraw/zinc/99/82/11/1292998211.db2.gz NAPIQMKLIOOVLL-CQSZACIVSA-N 0 0 327.428 2.452 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnc2n1CCOC2 ZINC000854949111 1292999001 /nfs/dbraw/zinc/99/90/01/1292999001.db2.gz SZXPSUBXTZWKOP-AWEZNQCLSA-N 0 0 342.443 2.149 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@](C)(O)c3ccccc3)C2)cc1 ZINC000855224557 1293116582 /nfs/dbraw/zinc/11/65/82/1293116582.db2.gz LUXYGILITKFBLO-UZLBHIALSA-N 0 0 340.423 2.298 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3nn(C)c(C)c3Cl)C2)cc1 ZINC000855223413 1293116708 /nfs/dbraw/zinc/11/67/08/1293116708.db2.gz GZNJWFVKQXZWAA-LBPRGKRZSA-N 0 0 348.834 2.399 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ncn(C(C)(C)C)n3)C2)cc1 ZINC000855227552 1293119576 /nfs/dbraw/zinc/11/95/76/1293119576.db2.gz XMSQHUSCMCKTDQ-ZDUSSCGKSA-N 0 0 343.431 2.050 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC34CCOCC4)C2)cc1 ZINC000855231678 1293122169 /nfs/dbraw/zinc/12/21/69/1293122169.db2.gz NGCLKVYINDVOQD-RHSMWYFYSA-N 0 0 330.428 2.207 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000858309687 1294077868 /nfs/dbraw/zinc/07/78/68/1294077868.db2.gz GESSHIMFUGKSRQ-UHFFFAOYSA-N 0 0 342.321 2.452 10 10 EECERN CCO[C@@]1(C)C[C@H]1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000858783331 1294221865 /nfs/dbraw/zinc/22/18/65/1294221865.db2.gz URBSBDQBEZHCGV-MJGOQNOKSA-N 0 0 347.459 2.484 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(CCO)C1 ZINC000860605619 1295030838 /nfs/dbraw/zinc/03/08/38/1295030838.db2.gz LTMSYTCZVHVRIO-UHFFFAOYSA-N 0 0 326.396 2.361 10 10 EECERN Oc1cccc(Br)c1CN1CCOC[C@@H]1c1ncon1 ZINC000862305380 1295790261 /nfs/dbraw/zinc/79/02/61/1295790261.db2.gz ZGGAQDNXICQFPG-LLVKDONJSA-N 0 0 340.177 2.111 10 10 EECERN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1O ZINC000797820433 1304845772 /nfs/dbraw/zinc/84/57/72/1304845772.db2.gz XOICUPLSZDDBPS-UHFFFAOYSA-N 0 0 338.341 2.418 10 10 EECERN Cc1ccc(C(=O)NCc2ncc(C(F)(F)F)cn2)c(O)c1O ZINC001141149695 1315050035 /nfs/dbraw/zinc/05/00/35/1315050035.db2.gz MUDKPHZSVDFWLE-UHFFFAOYSA-N 0 0 327.262 2.145 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nc2c(cnn2C)c(N)n1 ZINC000840384318 1315359491 /nfs/dbraw/zinc/35/94/91/1315359491.db2.gz HMDQRPOVCAMQGF-GFCCVEGCSA-N 0 0 339.447 2.363 10 10 EECERN C[C@H]1CCCc2nc(S(=O)(=O)N(C)Cc3ccccc3O)cn21 ZINC000841492171 1315564715 /nfs/dbraw/zinc/56/47/15/1315564715.db2.gz CYELUQMELZLFGV-LBPRGKRZSA-N 0 0 335.429 2.307 10 10 EECERN COC(=O)[C@H](CC(C)(C)C)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000843424341 1315912502 /nfs/dbraw/zinc/91/25/02/1315912502.db2.gz YUROKVALZWXDPJ-NSHDSACASA-N 0 0 340.376 2.376 10 10 EECERN Cc1c(C(=O)NCc2ccc(O)cc2O)nnn1CC1CCCC1 ZINC001299575338 1319530214 /nfs/dbraw/zinc/53/02/14/1319530214.db2.gz ZCTQZGZENCVWEC-UHFFFAOYSA-N 0 0 330.388 2.118 10 10 EECERN CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001161086641 1320380354 /nfs/dbraw/zinc/38/03/54/1320380354.db2.gz ZAIZHNYIIGIVJB-UHFFFAOYSA-N 0 0 349.391 2.446 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@](C)(F)C1 ZINC001261303023 1322061353 /nfs/dbraw/zinc/06/13/53/1322061353.db2.gz BOQMMRQRYJQVHO-IBGZPJMESA-N 0 0 349.450 2.452 10 10 EECERN CC1(C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)CC=CC1 ZINC001283078656 1325911587 /nfs/dbraw/zinc/91/15/87/1325911587.db2.gz NNHTXUFGZBJBQQ-UHFFFAOYSA-N 0 0 343.387 2.051 10 10 EECERN CC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284594385 1326623145 /nfs/dbraw/zinc/62/31/45/1326623145.db2.gz IVTMSAWJWCQHOG-BXUZGUMPSA-N 0 0 345.403 2.083 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCCNC(N)=O ZINC001290375181 1328188784 /nfs/dbraw/zinc/18/87/84/1328188784.db2.gz VGYHRTSMKPDJCP-UHFFFAOYSA-N 0 0 332.448 2.084 10 10 EECERN COc1cc(NC(C)=O)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001295225542 1329791272 /nfs/dbraw/zinc/79/12/72/1329791272.db2.gz UDBGVRFRXDGVAL-UHFFFAOYSA-N 0 0 330.340 2.246 10 10 EECERN C/C=C(\C)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295457931 1329812992 /nfs/dbraw/zinc/81/29/92/1329812992.db2.gz KSRILZCXBFQEHK-ZNQSMABOSA-N 0 0 331.376 2.050 10 10 EECERN C/C=C(\C)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001299005353 1330146699 /nfs/dbraw/zinc/14/66/99/1330146699.db2.gz NQFHQZJVPJOKGU-PIKLVLMUSA-N 0 0 343.387 2.146 10 10 EECERN O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1cccc(Cl)c1O ZINC001305069733 1331408694 /nfs/dbraw/zinc/40/86/94/1331408694.db2.gz MOKIRDDGSPREKQ-CQSZACIVSA-N 0 0 346.770 2.452 10 10 EECERN O=C([O-])[C@@]1(F)C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC12CCC2 ZINC000901913145 1331526746 /nfs/dbraw/zinc/52/67/46/1331526746.db2.gz BATCHTVIXHQHDT-IBGZPJMESA-N 0 0 348.418 2.302 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001326181558 1334038927 /nfs/dbraw/zinc/03/89/27/1334038927.db2.gz ZVZYSTGCNALFQY-IAGOWNOFSA-N 0 0 338.407 2.271 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@]2(CCSC2)C1 ZINC001326283693 1334059287 /nfs/dbraw/zinc/05/92/87/1334059287.db2.gz LGXRSXBGAIATSF-SFHVURJKSA-N 0 0 349.500 2.479 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CC(C)(F)C1 ZINC001328527822 1334474268 /nfs/dbraw/zinc/47/42/68/1334474268.db2.gz ALYOVBSWSLWGMH-UHFFFAOYSA-N 0 0 347.434 2.206 10 10 EECERN CCC[C@H](CC)NC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328884962 1334540942 /nfs/dbraw/zinc/54/09/42/1334540942.db2.gz FEZZCUUFOLHYIW-GJZGRUSLSA-N 0 0 347.459 2.085 10 10 EECERN O=C(C(=O)N1CCCC[C@@H]1C1CCC1)N1Cc2cccc(O)c2C1 ZINC001330498279 1334858269 /nfs/dbraw/zinc/85/82/69/1334858269.db2.gz ZCFPOISIJJMOBI-MRXNPFEDSA-N 0 0 328.412 2.416 10 10 EECERN CN1CCN(c2ccc(CNc3ncc4c(n3)COC4)cc2F)CC1 ZINC001348526197 1337557377 /nfs/dbraw/zinc/55/73/77/1337557377.db2.gz WMPGFSBFAAOCSO-UHFFFAOYSA-N 0 0 343.406 2.010 10 10 EECERN CC(C)CC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001350316107 1337694588 /nfs/dbraw/zinc/69/45/88/1337694588.db2.gz VYGKBDHGZYTWRP-AWEZNQCLSA-N 0 0 334.416 2.141 10 10 EECERN COC(=O)CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001615299773 1352323864 /nfs/dbraw/zinc/32/38/64/1352323864.db2.gz WBZNAQKQPRPYRS-HNNXBMFYSA-N 0 0 343.379 2.451 10 10 EECERN O=C(C[C@@H]1C(=O)Nc2ccc(F)cc21)NCCc1ccc(O)c(O)c1 ZINC001595751989 1349893967 /nfs/dbraw/zinc/89/39/67/1349893967.db2.gz KXUGYKRBLXWAEP-ZDUSSCGKSA-N 0 0 344.342 2.022 10 10 EECERN O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)NCCc1ccc(O)c(O)c1 ZINC001595751988 1349894126 /nfs/dbraw/zinc/89/41/26/1349894126.db2.gz KXUGYKRBLXWAEP-CYBMUJFWSA-N 0 0 344.342 2.022 10 10 EECERN COc1cc(OC)c(C(=O)NCc2c(O)cccc2O)cc1OC ZINC001597568574 1349927590 /nfs/dbraw/zinc/92/75/90/1349927590.db2.gz GZYWKELLJFQVOX-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2cc[nH]n2)cc1 ZINC001625695550 1352455422 /nfs/dbraw/zinc/45/54/22/1352455422.db2.gz HVNUSJUOGGWVFR-UHFFFAOYSA-N 0 0 336.395 2.489 10 10 EECERN CN1C(=O)N[C@](C)(c2ccc(NC(=O)C3=CC(=O)CS3)cc2)C1=O ZINC001627740943 1352508431 /nfs/dbraw/zinc/50/84/31/1352508431.db2.gz GNMJOEWRWOVDIS-MRXNPFEDSA-N 0 0 345.380 2.103 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001628251390 1352527429 /nfs/dbraw/zinc/52/74/29/1352527429.db2.gz KBKTURQALMALAZ-QMMMGPOBSA-N 0 0 345.380 2.371 10 10 EECERN CN(C[C@](C)(O)c1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001630491008 1352569662 /nfs/dbraw/zinc/56/96/62/1352569662.db2.gz RTDOKHQADDJRFU-JARZOMNASA-N 0 0 327.380 2.477 10 10 EECERN CN(C)C(=O)CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001632628231 1352599747 /nfs/dbraw/zinc/59/97/47/1352599747.db2.gz PROQHZSHXVSWHW-UHFFFAOYSA-N 0 0 345.403 2.180 10 10 EECERN O=C(Cn1ncc2cccnc21)NCc1ccc2cccnc2c1O ZINC001638573011 1352689722 /nfs/dbraw/zinc/68/97/22/1352689722.db2.gz FTOQHMPERCTVHL-UHFFFAOYSA-N 0 0 333.351 2.002 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H]2CCCO2)cc1 ZINC001648008261 1353413297 /nfs/dbraw/zinc/41/32/97/1353413297.db2.gz KOJTVGBEYJOITC-GJZGRUSLSA-N 0 0 346.387 2.259 10 10 EECERN O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1c(F)ccc(O)c1O ZINC001654798758 1354157821 /nfs/dbraw/zinc/15/78/21/1354157821.db2.gz OOVBMACHBVQAAI-LLVKDONJSA-N 0 0 339.750 2.224 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCc3nc(N)sc3C2)cc1OC ZINC001654969140 1354162523 /nfs/dbraw/zinc/16/25/23/1354162523.db2.gz GMEIWLTZXSXBQV-UHFFFAOYSA-N 0 0 336.373 2.213 10 10 EECERN C[C@@H](NC(=O)NCc1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC001682347737 1358159272 /nfs/dbraw/zinc/15/92/72/1358159272.db2.gz RBMGIRNNNPINDU-GFCCVEGCSA-N 0 0 348.424 2.356 10 10 EECERN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ncnn1C ZINC001686378588 1358387705 /nfs/dbraw/zinc/38/77/05/1358387705.db2.gz IRMRKXNSURMHNE-AWEZNQCLSA-N 0 0 342.447 2.318 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC[C@@H](O)C(F)(F)F)c1[O-] ZINC000809743279 783353454 /nfs/dbraw/zinc/35/34/54/783353454.db2.gz PITHUJPNCGFSPC-SECBINFHSA-N 0 0 328.674 2.357 10 10 EECERN Cc1cc(C(=O)CN2CCC[C@H]2C(N)=O)c(C)n1-c1ccc(F)cc1 ZINC000170729266 791007146 /nfs/dbraw/zinc/00/71/46/791007146.db2.gz RNFLYNDQUOGHBN-KRWDZBQOSA-N 0 0 343.402 2.366 10 10 EECERN CNC(=O)[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000817471641 784805062 /nfs/dbraw/zinc/80/50/62/784805062.db2.gz ZHYKQGSNEXDZAG-INIZCTEOSA-N 0 0 325.412 2.302 10 10 EECERN CNC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000817640018 784875225 /nfs/dbraw/zinc/87/52/25/784875225.db2.gz MJKRNTFZOYGFHZ-CQSZACIVSA-N 0 0 343.402 2.441 10 10 EECERN CCC/C=C/[C@@H](O)C(=O)NCc1cc(Br)ccc1O ZINC000908169880 785133683 /nfs/dbraw/zinc/13/36/83/785133683.db2.gz CFLQIIWHJQALPO-MUBLQREKSA-N 0 0 328.206 2.488 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3cc(C)cc(=O)[nH]3)C2)cc1 ZINC000819591922 785599881 /nfs/dbraw/zinc/59/98/81/785599881.db2.gz XUPXRWPTOZULMF-CQSZACIVSA-N 0 0 341.411 2.361 10 10 EECERN CO[C@@](C)(CO)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708190712 786764023 /nfs/dbraw/zinc/76/40/23/786764023.db2.gz NBWSZOIVZIEJBS-GFCCVEGCSA-N 0 0 338.629 2.295 10 10 EECERN CSc1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(=O)[nH]1 ZINC001136454336 786785381 /nfs/dbraw/zinc/78/53/81/786785381.db2.gz UEHHVNBWKNLNLJ-UHFFFAOYSA-N 0 0 336.392 2.039 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC000911303465 787367403 /nfs/dbraw/zinc/36/74/03/787367403.db2.gz JCWGFROEKJXSCU-CJNGLKHVSA-N 0 0 335.400 2.099 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3cccc(OC)n3)C2)cc1 ZINC000824146464 788055886 /nfs/dbraw/zinc/05/58/86/788055886.db2.gz BFOWEUWMGWFCJI-ZDUSSCGKSA-N 0 0 342.399 2.499 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N(C[C@@H](C)O)C(C)C)C2)cc1 ZINC000824685289 788274020 /nfs/dbraw/zinc/27/40/20/788274020.db2.gz CNURQERDVRGYLY-HZPDHXFCSA-N 0 0 349.475 2.322 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cc(O)ccc3OC)CC2)cc1 ZINC000187086796 788853832 /nfs/dbraw/zinc/85/38/32/788853832.db2.gz HFWHEIIVRIKGGQ-UHFFFAOYSA-N 0 0 342.395 2.372 10 10 EECERN COc1ccc(N(C)CCN(C)S(=O)(=O)c2ccc(C)o2)cc1 ZINC000845987889 790012760 /nfs/dbraw/zinc/01/27/60/790012760.db2.gz MRRKWSMFNVCWOT-UHFFFAOYSA-N 0 0 338.429 2.354 10 10 EECERN C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cc(=O)n4ncc(C(=O)[O-])c4[nH]3)C2)C1 ZINC000846260368 790107476 /nfs/dbraw/zinc/10/74/76/790107476.db2.gz ZGGUGXRUZYVGNW-PIGZYNQJSA-N 0 0 330.388 2.145 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCOC3)CC2)cc1 ZINC000171604602 791412818 /nfs/dbraw/zinc/41/28/18/791412818.db2.gz XMZWKOAWZJXYDT-OAHLLOKOSA-N 0 0 333.432 2.142 10 10 EECERN C[C@@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1)c1ccccc1O ZINC000913763555 794248222 /nfs/dbraw/zinc/24/82/22/794248222.db2.gz KHBKPTZOYDBQBM-KZULUSFZSA-N 0 0 335.400 2.460 10 10 EECERN CC(=O)N[C@H](CC(=O)NCc1c(O)cccc1O)c1ccc(C)cc1 ZINC001178905357 799692934 /nfs/dbraw/zinc/69/29/34/799692934.db2.gz LMTGQHHTOKZGEJ-MRXNPFEDSA-N 0 0 342.395 2.290 10 10 EECERN CN1C(=O)COc2ccc(C(=O)NCc3cccc(Cl)c3O)cc21 ZINC001180421013 800425682 /nfs/dbraw/zinc/42/56/82/800425682.db2.gz TWSYTWUEHAKHEY-UHFFFAOYSA-N 0 0 346.770 2.331 10 10 EECERN COCC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCOC1 ZINC000787334320 807080321 /nfs/dbraw/zinc/08/03/21/807080321.db2.gz JKRGYMNXXVJTRA-GFCCVEGCSA-N 0 0 330.768 2.191 10 10 EECERN COC(=O)[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccn(C)n1 ZINC000787438389 807120545 /nfs/dbraw/zinc/12/05/45/807120545.db2.gz QBMTVKYKVDSDOQ-SFHVURJKSA-N 0 0 342.443 2.414 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)NCc2cnn(C)n2)cc1 ZINC000805995269 811712583 /nfs/dbraw/zinc/71/25/83/811712583.db2.gz WVEBIJSIYQGYHL-UHFFFAOYSA-N 0 0 330.436 2.003 10 10 EECERN Cn1nccc1NC(=O)NCc1cc(Br)ccc1O ZINC000806410035 811862764 /nfs/dbraw/zinc/86/27/64/811862764.db2.gz IIPIHGMRIINGSF-UHFFFAOYSA-N 0 0 325.166 2.210 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)C2CN(CC(F)(F)F)C2)c1 ZINC000806793569 811991872 /nfs/dbraw/zinc/99/18/72/811991872.db2.gz SHBXDJRQTOXJOU-SECBINFHSA-N 0 0 332.322 2.072 10 10 EECERN CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C ZINC000808500888 812673758 /nfs/dbraw/zinc/67/37/58/812673758.db2.gz BYPLRIFEUNURBU-UHFFFAOYSA-N 0 0 332.331 2.450 10 10 EECERN CCCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccc(C)cc1 ZINC000808541257 812709956 /nfs/dbraw/zinc/70/99/56/812709956.db2.gz HPNZKHFSTUBQRH-UHFFFAOYSA-N 0 0 328.368 2.448 10 10 EECERN COc1ccc(-c2ncc(C(=O)OCC(=O)C(C)=O)s2)cc1OC ZINC000808543257 812711893 /nfs/dbraw/zinc/71/18/93/812711893.db2.gz QZSHZBXNYGHGOW-UHFFFAOYSA-N 0 0 349.364 2.142 10 10 EECERN COc1ccc(N2CCN(C(=O)C[C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC001445739223 1091566761 /nfs/dbraw/zinc/56/67/61/1091566761.db2.gz NNBQUUYRWHMXDU-QAPCUYQASA-N 0 0 332.444 2.285 10 10 EECERN COc1ccc(N2CCN(C(=O)/C=C\[C@H]3COC(C)(C)O3)CC2)cc1 ZINC001445749081 1091582261 /nfs/dbraw/zinc/58/22/61/1091582261.db2.gz WPXABDPWQLCBNE-JJEJIETFSA-N 0 0 346.427 2.052 10 10 EECERN COC(=O)/C=C/c1ccc(C(=O)NCc2cccc(OC)c2O)o1 ZINC001445972636 1091928692 /nfs/dbraw/zinc/92/86/92/1091928692.db2.gz ZQVJOZMNACVFLO-VQHVLOKHSA-N 0 0 331.324 2.110 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC001448906594 1093939750 /nfs/dbraw/zinc/93/97/50/1093939750.db2.gz LNHYKOMUHMNHCP-UHFFFAOYSA-N 0 0 346.314 2.375 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC001450629904 1094964521 /nfs/dbraw/zinc/96/45/21/1094964521.db2.gz QPZAWJVAZJMQIF-ZFWWWQNUSA-N 0 0 340.339 2.073 10 10 EECERN Cc1nnc([C@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)[nH]1 ZINC001451614865 1097738523 /nfs/dbraw/zinc/73/85/23/1097738523.db2.gz YQBKSTDFZDMGFH-VIFPVBQESA-N 0 0 344.396 2.369 10 10 EECERN O=C(Nc1cn2cc(Br)ncc2n1)c1cccc(O)c1O ZINC001448100220 1104003592 /nfs/dbraw/zinc/00/35/92/1104003592.db2.gz ORNLKVGTKMUKFT-UHFFFAOYSA-N 0 0 349.144 2.155 10 10 EECERN CC1(C)C(=O)Nc2ccc(C(=O)NCc3c(O)cccc3O)cc21 ZINC001456235769 1109118526 /nfs/dbraw/zinc/11/85/26/1109118526.db2.gz NXYMTILHJACSSO-UHFFFAOYSA-N 0 0 326.352 2.258 10 10 EECERN CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC001463923579 1110383480 /nfs/dbraw/zinc/38/34/80/1110383480.db2.gz YAPOYWTUIJQVFW-INIZCTEOSA-N 0 0 326.396 2.156 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC001464761820 1110402482 /nfs/dbraw/zinc/40/24/82/1110402482.db2.gz NTXXSQUKYKKAFW-KRWDZBQOSA-N 0 0 331.343 2.380 10 10 EECERN Cc1ccc(-c2nnn(CC(=O)N[C@H](C)c3ccccc3O)n2)cc1 ZINC001471193424 1110518967 /nfs/dbraw/zinc/51/89/67/1110518967.db2.gz FEMREOXAPQGLQS-CYBMUJFWSA-N 0 0 337.383 2.232 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(OCC(F)(F)F)nc1 ZINC001472064377 1110540881 /nfs/dbraw/zinc/54/08/81/1110540881.db2.gz VZRYZISXQYHJIU-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN CC[S@](=O)CCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001503292755 1113884343 /nfs/dbraw/zinc/88/43/43/1113884343.db2.gz AUHUUJHSSCAJBV-DEOSSOPVSA-N 0 0 348.472 2.266 10 10 EECERN CC(=O)Nc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)nc1 ZINC001521375482 1119245555 /nfs/dbraw/zinc/24/55/55/1119245555.db2.gz YDKKHCBIIMGLHM-UHFFFAOYSA-N 0 0 326.400 2.344 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1 ZINC001522495092 1119406074 /nfs/dbraw/zinc/40/60/74/1119406074.db2.gz OSHMIEUYMOQXLT-UHFFFAOYSA-N 0 0 345.403 2.275 10 10 EECERN CC[C@@H](C)C(=O)NCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001528758897 1121159079 /nfs/dbraw/zinc/15/90/79/1121159079.db2.gz ZFCWINGASBXONM-GFCCVEGCSA-N 0 0 347.419 2.473 10 10 EECERN COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001538883848 1124038587 /nfs/dbraw/zinc/03/85/87/1124038587.db2.gz PVMNLLAVILXUNQ-UHFFFAOYSA-N 0 0 330.340 2.246 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCc1cnn(-c2ccccc2)c1 ZINC001539865842 1124068554 /nfs/dbraw/zinc/06/85/54/1124068554.db2.gz VSCZEYHWBDOWLI-UHFFFAOYSA-N 0 0 337.379 2.185 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](NC(N)=O)C(C)C)cc1 ZINC001540459350 1124083440 /nfs/dbraw/zinc/08/34/40/1124083440.db2.gz DIWPDVDEECUUID-INIZCTEOSA-N 0 0 334.464 2.184 10 10 EECERN CN(Cc1ccccc1O)C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001545503173 1124193804 /nfs/dbraw/zinc/19/38/04/1124193804.db2.gz PWVUCRBFFXERNE-CLFYSBASSA-N 0 0 335.381 2.061 10 10 EECERN Cc1cc(C(=O)CN2C(=O)CN(C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000006360904 462684512 /nfs/dbraw/zinc/68/45/12/462684512.db2.gz VGJWKQAUPOPPAI-UHFFFAOYSA-N 0 0 343.358 2.310 10 10 EECERN CCO[C@H]1C[C@@]2(NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1(C)C ZINC000277560717 463919693 /nfs/dbraw/zinc/91/96/93/463919693.db2.gz XDRIAZGYNHLJMD-KXBFYZLASA-N 0 0 345.443 2.378 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)C[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000269307125 463948817 /nfs/dbraw/zinc/94/88/17/463948817.db2.gz XFYUXIRSYHSZPI-LXSSAFMLSA-N 0 0 336.344 2.026 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H]3CCC(C)(C)O3)CC2)cc1F ZINC000278834080 463998382 /nfs/dbraw/zinc/99/83/82/463998382.db2.gz QUQXZPKOTSBWCX-MRXNPFEDSA-N 0 0 336.407 2.441 10 10 EECERN Cc1ncc(CN2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)s1 ZINC000182419912 464651007 /nfs/dbraw/zinc/65/10/07/464651007.db2.gz QAMYMUNPLBAIKT-UHFFFAOYSA-N 0 0 347.440 2.129 10 10 EECERN C[C@H]1C[C@H](S(=O)(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000295235913 464756198 /nfs/dbraw/zinc/75/61/98/464756198.db2.gz UFTNVBUGZQGBDY-WMLDXEAASA-N 0 0 338.473 2.274 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176605053 464809537 /nfs/dbraw/zinc/80/95/37/464809537.db2.gz WYHPYMIPMZBPRI-INIZCTEOSA-N 0 0 342.447 2.411 10 10 EECERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(OC)c(OC)cc1O ZINC000276172534 464834554 /nfs/dbraw/zinc/83/45/54/464834554.db2.gz SQJIBTFMINFGOS-BNLOLNQZSA-N 0 0 335.400 2.183 10 10 EECERN COc1c([O-])c(C[NH2+][C@@H]2CCCc3nn(C)cc32)ccc1[N+](=O)[O-] ZINC000282845213 464972213 /nfs/dbraw/zinc/97/22/13/464972213.db2.gz DAPYPJIICPHAED-GFCCVEGCSA-N 0 0 332.360 2.210 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCOCC1 ZINC000365122172 466732799 /nfs/dbraw/zinc/73/27/99/466732799.db2.gz QYWNQSSSRIJFCE-QGZVFWFLSA-N 0 0 332.444 2.298 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H](CO)C3)ccc21 ZINC000298865643 523862022 /nfs/dbraw/zinc/86/20/22/523862022.db2.gz JWGVQHXUSOHHAX-NVXWUHKLSA-N 0 0 331.460 2.419 10 10 EECERN COc1c([O-])c(C[NH2+]CC[C@H](OC)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775108925 577430051 /nfs/dbraw/zinc/43/00/51/577430051.db2.gz RGDZPEUMUTULSP-JTQLQIEISA-N 0 0 338.282 2.366 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000776144151 577453073 /nfs/dbraw/zinc/45/30/73/577453073.db2.gz NVAMYRHFRVPBDL-CFVMTHIKSA-N 0 0 332.448 2.157 10 10 EECERN C[C@@H]1COCC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000763197463 577716520 /nfs/dbraw/zinc/71/65/20/577716520.db2.gz UTMRKWROYLHKRC-RHSMWYFYSA-N 0 0 349.500 2.464 10 10 EECERN Cc1cnc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000763239586 577717573 /nfs/dbraw/zinc/71/75/73/577717573.db2.gz ZULGRJNFFPBMOT-UHFFFAOYSA-N 0 0 341.411 2.204 10 10 EECERN CO[C@]1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CCOC1 ZINC000763481451 577721756 /nfs/dbraw/zinc/72/17/56/577721756.db2.gz VJCIERRSVZGGHF-AWEZNQCLSA-N 0 0 330.222 2.358 10 10 EECERN CN(C)c1ccc(CN(C(=O)NCCCn2ccnn2)C2CC2)cc1 ZINC000753344027 577785480 /nfs/dbraw/zinc/78/54/80/577785480.db2.gz DYYYBTOISUIUSU-UHFFFAOYSA-N 0 0 342.447 2.108 10 10 EECERN COc1cc(C)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1O ZINC000754738491 577811803 /nfs/dbraw/zinc/81/18/03/577811803.db2.gz DIQQCWBJCHLLCL-GDBMZVCRSA-N 0 0 339.457 2.251 10 10 EECERN COC(=O)C=Cc1ccc(N2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000750566740 577995441 /nfs/dbraw/zinc/99/54/41/577995441.db2.gz LNZXARPJCFCMJG-HWKANZROSA-N 0 0 328.328 2.067 10 10 EECERN COc1cc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c(O)cc1C ZINC000160258051 675086891 /nfs/dbraw/zinc/08/68/91/675086891.db2.gz UTEPYUOOXURBQV-ZDUSSCGKSA-N 0 0 346.431 2.279 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NC2(C(=O)N(C)C)CC2)cc1 ZINC000840506312 683005244 /nfs/dbraw/zinc/00/52/44/683005244.db2.gz XBJSTAXEPHYTDZ-UHFFFAOYSA-N 0 0 325.412 2.445 10 10 EECERN COC(=O)CCCCNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000122451149 683252976 /nfs/dbraw/zinc/25/29/76/683252976.db2.gz NMPUMACCBJGDSB-UHFFFAOYSA-N 0 0 329.356 2.324 10 10 EECERN CCC1(CC)CN(Cc2cc3c(cc2O)OCO3)CC[S@]1=O ZINC000187554456 684592431 /nfs/dbraw/zinc/59/24/31/684592431.db2.gz TWQYODOBFGKBJU-JOCHJYFZSA-N 0 0 325.430 2.244 10 10 EECERN COC[C@H](C)OC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000866943797 689091195 /nfs/dbraw/zinc/09/11/95/689091195.db2.gz MQKMGWPPXOZRAR-LBPRGKRZSA-N 0 0 326.368 2.128 10 10 EECERN CN(C)c1ccc(/C=C/C[NH2+][C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000904006629 694266650 /nfs/dbraw/zinc/26/66/50/694266650.db2.gz YPJWRPRBYKIGTR-IPLHWJFFSA-N 0 0 331.460 2.295 10 10 EECERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](C[C@H]2CCCO2)C1=O ZINC000924714684 693261818 /nfs/dbraw/zinc/26/18/18/693261818.db2.gz CRVSYJICAMMPIM-DAXOMENPSA-N 0 0 331.416 2.303 10 10 EECERN Cc1cc(F)ccc1CN(C)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842238212 1188573207 /nfs/dbraw/zinc/57/32/07/1188573207.db2.gz KRSANNDCKWVWDB-UHFFFAOYSA-N 0 0 343.402 2.034 10 10 EECERN C[C@H](NC(=O)[C@@H](C)c1cncnc1)c1ccc(N2CCOCC2)cc1 ZINC000863860572 1197904103 /nfs/dbraw/zinc/90/41/03/1197904103.db2.gz MQKTYVRTVBEVSS-GJZGRUSLSA-N 0 0 340.427 2.294 10 10 EECERN COC(=O)[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)c1ccc(F)cc1 ZINC000794712121 1197906895 /nfs/dbraw/zinc/90/68/95/1197906895.db2.gz PSPJBNCRKDEUHQ-SFHVURJKSA-N 0 0 347.342 2.364 10 10 EECERN COc1cccc(CNC(=O)c2cccc3c2CC(=O)CC3)c1O ZINC000810328595 1199434607 /nfs/dbraw/zinc/43/46/07/1199434607.db2.gz VGJFJEBRNYQVAE-UHFFFAOYSA-N 0 0 325.364 2.389 10 10 EECERN C[C@H]1Oc2ccccc2N(CC(=O)N2Cc3cccc(O)c3C2)C1=O ZINC000871198351 1201095967 /nfs/dbraw/zinc/09/59/67/1201095967.db2.gz ICNWMAIJSHQBOT-GFCCVEGCSA-N 0 0 338.363 2.049 10 10 EECERN COc1cccc(C2=NO[C@@H](C(=O)N3Cc4cccc(O)c4C3)C2)c1 ZINC000871204400 1201099848 /nfs/dbraw/zinc/09/98/48/1201099848.db2.gz DKTIZPSGBFIZDG-GOSISDBHSA-N 0 0 338.363 2.436 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000880660271 1201553867 /nfs/dbraw/zinc/55/38/67/1201553867.db2.gz HELMTWMHLWEELR-IHETXDGRSA-N 0 0 330.428 2.205 10 10 EECERN CO[C@H](C(=O)NCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000869147774 1201950008 /nfs/dbraw/zinc/95/00/08/1201950008.db2.gz WMYJOWGMHYYMGK-GFCCVEGCSA-N 0 0 329.780 2.019 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCn3nccc32)c1 ZINC000869219594 1201967480 /nfs/dbraw/zinc/96/74/80/1201967480.db2.gz YUULWFOJNDWVDZ-FZMZJTMJSA-N 0 0 330.388 2.493 10 10 EECERN COC(=O)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 ZINC000924673200 1206015201 /nfs/dbraw/zinc/01/52/01/1206015201.db2.gz WNYGOEBOQOIEKW-LEJCZOIISA-N 0 0 333.384 2.349 10 10 EECERN CO[C@]1(CNC(=O)NCc2cc(Cl)ccc2O)CCSC1 ZINC000925377868 1206104104 /nfs/dbraw/zinc/10/41/04/1206104104.db2.gz TZFSPTCHJWOGRK-AWEZNQCLSA-N 0 0 330.837 2.367 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000926618542 1206231658 /nfs/dbraw/zinc/23/16/58/1206231658.db2.gz GNGPJYXKTYKKLL-JZXOWHBKSA-N 0 0 329.444 2.485 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000928712950 1206414330 /nfs/dbraw/zinc/41/43/30/1206414330.db2.gz YMELFCKYUVAVSJ-DOMZBBRYSA-N 0 0 334.391 2.329 10 10 EECERN COc1ccc(N2CC[NH+](CCCCCNC(C)=O)CC2)c(OC)c1 ZINC000931531016 1207406670 /nfs/dbraw/zinc/40/66/70/1207406670.db2.gz WAHJMSOBKWZQJQ-UHFFFAOYSA-N 0 0 349.475 2.132 10 10 EECERN COc1ccc(N2CCN(C(=O)CN3CC[C@H](C)[C@@H](F)C3)CC2)cc1 ZINC000778231746 1207925002 /nfs/dbraw/zinc/92/50/02/1207925002.db2.gz CXEJUBHDCNODNQ-YJBOKZPZSA-N 0 0 349.450 2.024 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000779069354 1208491646 /nfs/dbraw/zinc/49/16/46/1208491646.db2.gz QDGADSFLAKPHLR-LLVKDONJSA-N 0 0 340.383 2.187 10 10 EECERN COC(=O)[C@@H](NCc1ccccc1O)c1ccc(OC)cc1OC ZINC000779179241 1209199060 /nfs/dbraw/zinc/19/90/60/1209199060.db2.gz CATVKYVYIMQZLF-KRWDZBQOSA-N 0 0 331.368 2.413 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCOc3ccccc32)c1 ZINC000779455259 1210380296 /nfs/dbraw/zinc/38/02/96/1210380296.db2.gz HMYNQJMBZPPNEG-BQYQJAHWSA-N 0 0 337.379 2.270 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2 ZINC000850235887 1277109517 /nfs/dbraw/zinc/10/95/17/1277109517.db2.gz JUKXZBQJXZURQF-UHFFFAOYSA-N 0 0 347.367 2.252 10 10 EECERN C[C@@H](NC(=O)N[C@@H](CO)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000852012606 1291953089 /nfs/dbraw/zinc/95/30/89/1291953089.db2.gz MYHQUMXZUJODKV-KDOFPFPSSA-N 0 0 347.459 2.044 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NO[C@@H]3CCCCO3)C2)cc1 ZINC000852291950 1292078533 /nfs/dbraw/zinc/07/85/33/1292078533.db2.gz JQRXODZHOPDGRI-CZUORRHYSA-N 0 0 335.404 2.031 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)C[C@@H]3CCCO3)C2)cc1 ZINC000852451094 1292117780 /nfs/dbraw/zinc/11/77/80/1292117780.db2.gz DFTJVTPWLXZVGL-PBHICJAKSA-N 0 0 333.432 2.094 10 10 EECERN CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)n1cc(N)cn1 ZINC000852885503 1292225648 /nfs/dbraw/zinc/22/56/48/1292225648.db2.gz WQWXBIVMEAHHDW-UHFFFAOYSA-N 0 0 328.416 2.101 10 10 EECERN Cc1cc(CC(=O)OC[C@@H]2CNC(=O)O2)c(C)n1-c1ccccc1 ZINC000853932285 1292536315 /nfs/dbraw/zinc/53/63/15/1292536315.db2.gz GUYZPUPCDWRPEU-INIZCTEOSA-N 0 0 328.368 2.288 10 10 EECERN COC(=O)C(=O)[C@H](C)OC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853935502 1292538735 /nfs/dbraw/zinc/53/87/35/1292538735.db2.gz ZWXIZSULQZQPOE-AWEZNQCLSA-N 0 0 343.379 2.310 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCO[C@@](C)(C(F)F)C2)cc1OC ZINC000853997475 1292576335 /nfs/dbraw/zinc/57/63/35/1292576335.db2.gz KZWYNDILRXMOPR-CQSZACIVSA-N 0 0 332.303 2.472 10 10 EECERN COC(=O)C1(C(=O)NCc2ccc(N(C)C)cc2)CC2(CCC2)C1 ZINC000854271865 1292699557 /nfs/dbraw/zinc/69/95/57/1292699557.db2.gz SVCGYISLEIFHSI-UHFFFAOYSA-N 0 0 330.428 2.492 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC4(C3)CCCOC4)C2)cc1 ZINC000854297646 1292709373 /nfs/dbraw/zinc/70/93/73/1292709373.db2.gz PVPNRZJTWUBQAB-HNNXBMFYSA-N 0 0 345.443 2.096 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](O)C(C)(C)C3)C2)cc1 ZINC000854297253 1292709422 /nfs/dbraw/zinc/70/94/22/1292709422.db2.gz LIDQRAMTNNIRBQ-WMLDXEAASA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C(C)C)C(C)(C)O)C2)cc1 ZINC000854299690 1292711084 /nfs/dbraw/zinc/71/10/84/1292711084.db2.gz QTWCFSHSVAZXSJ-YOEHRIQHSA-N 0 0 349.475 2.369 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)n3ccnc3)C2)cc1 ZINC000855223341 1293116554 /nfs/dbraw/zinc/11/65/54/1293116554.db2.gz GQCAIMBAULLGMD-CABCVRRESA-N 0 0 328.416 2.238 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ncc(F)cc3F)C2)cc1 ZINC000855222972 1293116777 /nfs/dbraw/zinc/11/67/77/1293116777.db2.gz ABSPMLCGTSQCSU-LBPRGKRZSA-N 0 0 333.338 2.377 10 10 EECERN COCc1ncc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000855225674 1293117885 /nfs/dbraw/zinc/11/78/85/1293117885.db2.gz LFWWBGGABHORRM-LBPRGKRZSA-N 0 0 347.440 2.307 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnc4nccnc4c3)C2)cc1 ZINC000855227836 1293119922 /nfs/dbraw/zinc/11/99/22/1293119922.db2.gz QDRZERTXZAZGPS-AWEZNQCLSA-N 0 0 349.394 2.042 10 10 EECERN C[C@@H]1CC[C@H](NCc2cc(F)c(N(C)C)cc2F)CS1(=O)=O ZINC000858188738 1294038122 /nfs/dbraw/zinc/03/81/22/1294038122.db2.gz BCKLWIQNDFKSIB-PWSUYJOCSA-N 0 0 332.416 2.086 10 10 EECERN Cc1cc(CNC(=O)NC2COCCOC2)c(C)n1-c1ccccc1 ZINC000858906817 1294258217 /nfs/dbraw/zinc/25/82/17/1294258217.db2.gz QWTUVVGXCLMSDL-UHFFFAOYSA-N 0 0 343.427 2.309 10 10 EECERN Cc1c(C(=O)NCc2ccc3cccnc3c2O)nnn1C(C)C ZINC000862026083 1295660967 /nfs/dbraw/zinc/66/09/67/1295660967.db2.gz GKDFCNVRZIYGGB-UHFFFAOYSA-N 0 0 325.372 2.351 10 10 EECERN Cc1cc(C(=O)NC[C@H]2COCCN2C)c(C)n1-c1ccccc1C ZINC000862971118 1296051061 /nfs/dbraw/zinc/05/10/61/1296051061.db2.gz JOXGIDCPWVLBJA-KRWDZBQOSA-N 0 0 341.455 2.463 10 10 EECERN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCC3(CCOCC3)O2)c1 ZINC000927187608 1297059739 /nfs/dbraw/zinc/05/97/39/1297059739.db2.gz NCVHYQBCRAWRCL-HNNXBMFYSA-N 0 0 334.416 2.228 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC001119459112 1309078859 /nfs/dbraw/zinc/07/88/59/1309078859.db2.gz FMHAVIZRNDSBCX-BHYGNILZSA-N 0 0 329.444 2.064 10 10 EECERN O=C(CCCn1cncn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001141722662 1315258784 /nfs/dbraw/zinc/25/87/84/1315258784.db2.gz GCRDUWNMUMAKHN-UHFFFAOYSA-N 0 0 347.382 2.407 10 10 EECERN O=S1(=O)CCN(Cc2cc3c(cc2O)CCCC3)[C@@H]2CCC[C@H]21 ZINC000840142072 1315307112 /nfs/dbraw/zinc/30/71/12/1315307112.db2.gz BPRWYSRSEQHMQM-SJLPKXTDSA-N 0 0 335.469 2.423 10 10 EECERN O=S1(=O)CCN(Cc2c(O)ccc3ccncc32)[C@H]2CCC[C@H]21 ZINC000840146979 1315308478 /nfs/dbraw/zinc/30/84/78/1315308478.db2.gz SMAZQMVGVGOBFA-DOTOQJQBSA-N 0 0 332.425 2.092 10 10 EECERN CCOC(=O)Nc1scnc1C(=O)NCc1cccc(O)c1O ZINC001153798995 1316885766 /nfs/dbraw/zinc/88/57/66/1316885766.db2.gz ZXRQNJCPFWEHMX-UHFFFAOYSA-N 0 0 337.357 2.053 10 10 EECERN CN(C)C(=O)O[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001158622564 1319338385 /nfs/dbraw/zinc/33/83/85/1319338385.db2.gz RCSQKAAUEIJWEH-CYBMUJFWSA-N 0 0 347.375 2.152 10 10 EECERN COc1cccc2c1OCC(C(=O)NCc1ccc(O)cc1O)=C2 ZINC001162279205 1320804196 /nfs/dbraw/zinc/80/41/96/1320804196.db2.gz VVOYITVUNJONSC-UHFFFAOYSA-N 0 0 327.336 2.199 10 10 EECERN NC(=O)c1ccccc1CCC(=O)NCc1ccc2cccnc2c1O ZINC001162612618 1320912302 /nfs/dbraw/zinc/91/23/02/1320912302.db2.gz MWPBCACRYXCSBS-UHFFFAOYSA-N 0 0 349.390 2.288 10 10 EECERN CCS[C@H]1CC[C@H](N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261863591 1322189912 /nfs/dbraw/zinc/18/99/12/1322189912.db2.gz FSLLINZANADNPT-KBPBESRZSA-N 0 0 348.468 2.367 10 10 EECERN CCCOc1ccnc(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC001294937467 1329765820 /nfs/dbraw/zinc/76/58/20/1329765820.db2.gz QOBPEHPDWGMTEA-LBPRGKRZSA-N 0 0 345.399 2.400 10 10 EECERN COc1ccc2onc(CC(=O)NCc3ccc(OC)cc3O)c2c1 ZINC001296967376 1329935384 /nfs/dbraw/zinc/93/53/84/1329935384.db2.gz AXUPTCVEBWFRCT-UHFFFAOYSA-N 0 0 342.351 2.410 10 10 EECERN CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C ZINC001297429722 1329971127 /nfs/dbraw/zinc/97/11/27/1329971127.db2.gz LXEOSUBQULRUQC-MPKXVKKWSA-N 0 0 345.403 2.130 10 10 EECERN COCCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001301642500 1331307086 /nfs/dbraw/zinc/30/70/86/1331307086.db2.gz KDRDRIQJJSXGCO-HNNXBMFYSA-N 0 0 346.431 2.161 10 10 EECERN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1c(O)cccc1O ZINC001304053033 1331374868 /nfs/dbraw/zinc/37/48/68/1331374868.db2.gz ACHSVXOOLLLTBR-ZDUSSCGKSA-N 0 0 336.432 2.291 10 10 EECERN COc1ccc(N2CCN(CC[S@@](=O)C(F)(F)F)CC2)cc1 ZINC000905873773 1331766437 /nfs/dbraw/zinc/76/64/37/1331766437.db2.gz FRJDELKDTVLCGS-JOCHJYFZSA-N 0 0 336.379 2.086 10 10 EECERN COCCn1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001331677682 1335056952 /nfs/dbraw/zinc/05/69/52/1335056952.db2.gz TUSRJVFSUWTMNF-UHFFFAOYSA-N 0 0 347.396 2.085 10 10 EECERN O=C(NCc1c(O)cccc1F)Nc1ccnn1C[C@H]1CCOC1 ZINC001333153310 1335972205 /nfs/dbraw/zinc/97/22/05/1335972205.db2.gz PLUDKCPIYVNGRF-LLVKDONJSA-N 0 0 334.351 2.086 10 10 EECERN CCN(Cc1occc1C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001335622387 1336403265 /nfs/dbraw/zinc/40/32/65/1336403265.db2.gz LMSZFLHDTYGBGI-UHFFFAOYSA-N 0 0 328.368 2.185 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CC2CC1(C)C2 ZINC001347640194 1337517028 /nfs/dbraw/zinc/51/70/28/1337517028.db2.gz NKSPKPMORVVFAZ-BQTBQCLESA-N 0 0 343.471 2.119 10 10 EECERN CCC(C)(C)[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001350709771 1337740528 /nfs/dbraw/zinc/74/05/28/1337740528.db2.gz BAGCOAANOJVQRX-LBPRGKRZSA-N 0 0 337.439 2.449 10 10 EECERN C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000847394307 1338023274 /nfs/dbraw/zinc/02/32/74/1338023274.db2.gz XLNOCZXLQGWQPC-CVEARBPZSA-N 0 0 331.460 2.042 10 10 EECERN O=S(=O)(Nc1ccc(O)cc1Cl)c1cnn(CC2CC2)c1 ZINC000849308315 1339152002 /nfs/dbraw/zinc/15/20/02/1339152002.db2.gz JYGKJWUEXJXHAP-UHFFFAOYSA-N 0 0 327.793 2.453 10 10 EECERN O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)c1c(F)ccc(O)c1O ZINC001611695431 1352303471 /nfs/dbraw/zinc/30/34/71/1352303471.db2.gz FLIZMDJNBCJVGU-VIFPVBQESA-N 0 0 339.269 2.249 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC001556301758 1342427229 /nfs/dbraw/zinc/42/72/29/1342427229.db2.gz SPKFPKUBBKYJRG-IBGZPJMESA-N 0 0 325.364 2.298 10 10 EECERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1c(O)cccc1O ZINC001559288028 1342500208 /nfs/dbraw/zinc/50/02/08/1342500208.db2.gz NHATXFDVGKCRGC-UHFFFAOYSA-N 0 0 338.341 2.022 10 10 EECERN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1nnc2n1CCC2 ZINC001597163835 1349919267 /nfs/dbraw/zinc/91/92/67/1349919267.db2.gz SPNYDLWQUYYQRG-MRVPVSSYSA-N 0 0 344.396 2.341 10 10 EECERN Cc1nc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)sc1C ZINC001624379151 1352420113 /nfs/dbraw/zinc/42/01/13/1352420113.db2.gz JIUHGZGWNKNNCO-UHFFFAOYSA-N 0 0 347.440 2.062 10 10 EECERN O=C(CNC(=O)Cc1ccc(O)c(O)c1)Nc1ccc(Cl)cc1 ZINC001625640031 1352453967 /nfs/dbraw/zinc/45/39/67/1352453967.db2.gz XPZCHVYIILJMJF-UHFFFAOYSA-N 0 0 334.759 2.049 10 10 EECERN COC(=O)Nc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001625720067 1352456058 /nfs/dbraw/zinc/45/60/58/1352456058.db2.gz XLABSLKRMVAQAH-UHFFFAOYSA-N 0 0 330.340 2.135 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001626256850 1352458607 /nfs/dbraw/zinc/45/86/07/1352458607.db2.gz FDJCSDUJUQGIJB-LLVKDONJSA-N 0 0 333.306 2.210 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1coc(C=O)c1 ZINC001627018363 1352480438 /nfs/dbraw/zinc/48/04/38/1352480438.db2.gz RAXAQESWWSGNST-UHFFFAOYSA-N 0 0 331.324 2.003 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC001633322793 1352609149 /nfs/dbraw/zinc/60/91/49/1352609149.db2.gz FETMUELQYLRFMZ-DGFSRKRXSA-N 0 0 325.455 2.136 10 10 EECERN O=C(CCc1nnc(C2CCCC2)o1)NCc1ccc(O)cc1O ZINC001638352229 1352687681 /nfs/dbraw/zinc/68/76/81/1352687681.db2.gz MWYROUVTBDVODZ-UHFFFAOYSA-N 0 0 331.372 2.387 10 10 EECERN Cn1nc(Br)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001641250903 1352720348 /nfs/dbraw/zinc/72/03/48/1352720348.db2.gz TUWNTXQSSLLENY-HYXAFXHYSA-N 0 0 338.161 2.246 10 10 EECERN CCc1noc([C@@H]2CC[C@@H](NC(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC001646201167 1352821005 /nfs/dbraw/zinc/82/10/05/1352821005.db2.gz CDLJOYJXEKCUJO-GHMZBOCLSA-N 0 0 331.372 2.418 10 10 EECERN CN(C)c1nc(Cl)c(C(=O)NCc2cccc(O)c2O)s1 ZINC001651175857 1354042155 /nfs/dbraw/zinc/04/21/55/1354042155.db2.gz QIJAIJSOZBHPTE-UHFFFAOYSA-N 0 0 327.793 2.204 10 10 EECERN COc1ccc(N(CCc2ccccc2)Cc2nc(=O)n(C)[nH]2)cc1 ZINC001653679899 1354130229 /nfs/dbraw/zinc/13/02/29/1354130229.db2.gz FONLTDMOZMOIHS-UHFFFAOYSA-N 0 0 338.411 2.366 10 10 EECERN O=C(NCc1ncnn1-c1ccccc1)N1Cc2cccc(O)c2C1 ZINC001686346911 1358381172 /nfs/dbraw/zinc/38/11/72/1358381172.db2.gz TYENMSKCMSZGMQ-UHFFFAOYSA-N 0 0 335.367 2.198 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC(CO)(c3ccccc3)C2)cc1 ZINC000840244871 782453257 /nfs/dbraw/zinc/45/32/57/782453257.db2.gz QBSIVBSACZGYEK-UHFFFAOYSA-N 0 0 339.439 2.208 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3cn4c(n3)CCC4)C2)cc1 ZINC000843609526 760308998 /nfs/dbraw/zinc/30/89/98/760308998.db2.gz YMDQIAOARJBFEA-CQSZACIVSA-N 0 0 340.427 2.094 10 10 EECERN CC(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccccc2O)Oc2ccccc21 ZINC000827982547 761050800 /nfs/dbraw/zinc/05/08/00/761050800.db2.gz YCKFEUBFCAMCRW-SGTLLEGYSA-N 0 0 340.379 2.384 10 10 EECERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000920868446 770890659 /nfs/dbraw/zinc/89/06/59/770890659.db2.gz DVGABSXSSSPMJP-BZUAXINKSA-N 0 0 347.459 2.403 10 10 EECERN C[C@@H](NC(=S)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000140013531 790913018 /nfs/dbraw/zinc/91/30/18/790913018.db2.gz PLROXBYCVGRGPI-RHSMWYFYSA-N 0 0 349.500 2.227 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC[C@H](O)C(F)(F)F)c1[O-] ZINC000809743280 783353031 /nfs/dbraw/zinc/35/30/31/783353031.db2.gz PITHUJPNCGFSPC-VIFPVBQESA-N 0 0 328.674 2.357 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC000906714449 784097501 /nfs/dbraw/zinc/09/75/01/784097501.db2.gz TZNXWUWERPLTPL-SFHVURJKSA-N 0 0 338.411 2.265 10 10 EECERN CCO[C@H]1[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C ZINC000906738157 784114287 /nfs/dbraw/zinc/11/42/87/784114287.db2.gz IEHTYTCDNIZIEI-GDIGMMSISA-N 0 0 346.471 2.183 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1cc(N2CCCCC2)ncn1 ZINC000816888908 784319250 /nfs/dbraw/zinc/31/92/50/784319250.db2.gz CSOHASMWROETFB-UHFFFAOYSA-N 0 0 326.400 2.445 10 10 EECERN CCC/C=C/[C@H](O)C(=O)NCc1cccc(Br)c1O ZINC000907759497 784844012 /nfs/dbraw/zinc/84/40/12/784844012.db2.gz ZJLHLYNXDWHFMF-GXWOQWCDSA-N 0 0 328.206 2.488 10 10 EECERN CO[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000819974601 785727397 /nfs/dbraw/zinc/72/73/97/785727397.db2.gz PYOGIJPPHNARIA-SFHVURJKSA-N 0 0 332.444 2.297 10 10 EECERN COC(=O)Cc1csc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001136350814 785968978 /nfs/dbraw/zinc/96/89/78/785968978.db2.gz VNWMAWXFUMCQFN-UHFFFAOYSA-N 0 0 347.356 2.273 10 10 EECERN O=C([C@@H]1C[C@H]1c1c[nH]cn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821195150 786631387 /nfs/dbraw/zinc/63/13/87/786631387.db2.gz MUXNMQQKPNZGGX-BZUAXINKSA-N 0 0 341.411 2.427 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCCSCC1 ZINC000823554196 787818504 /nfs/dbraw/zinc/81/85/04/787818504.db2.gz RGHAHZLYSCLZJK-UHFFFAOYSA-N 0 0 349.500 2.296 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](O)c2ccnn2C)c1 ZINC000922974759 788455681 /nfs/dbraw/zinc/45/56/81/788455681.db2.gz ROXSTYMORRENLN-ZDUSSCGKSA-N 0 0 340.221 2.020 10 10 EECERN COc1cccc(CNC(=O)Nc2ccn(C3CCOCC3)n2)c1O ZINC000825331633 788574991 /nfs/dbraw/zinc/57/49/91/788574991.db2.gz QTPWSWCLZQMKKX-UHFFFAOYSA-N 0 0 346.387 2.271 10 10 EECERN CS(=O)(=O)c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)co1 ZINC000845835177 789964446 /nfs/dbraw/zinc/96/44/46/789964446.db2.gz WPJTUDUXXCNQOL-UHFFFAOYSA-N 0 0 349.408 2.198 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)C(C)C)c1 ZINC000153851796 797509441 /nfs/dbraw/zinc/50/94/41/797509441.db2.gz YUGABHWAVXSNSK-DOMZBBRYSA-N 0 0 334.416 2.225 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3c2NC(=O)CO3)cc1 ZINC001175455100 798128150 /nfs/dbraw/zinc/12/81/50/798128150.db2.gz PXRWGYBYOAHTCP-UHFFFAOYSA-N 0 0 339.311 2.432 10 10 EECERN C[C@]1(C(=O)NCc2cc(O)ccc2O)CC(c2ccccc2)=NO1 ZINC001176756140 798570934 /nfs/dbraw/zinc/57/09/34/798570934.db2.gz YDLYONGQWDVXDW-GOSISDBHSA-N 0 0 326.352 2.297 10 10 EECERN C[C@@H](NC(=O)NCc1noc2c1COCC2)c1ccc(N(C)C)cc1 ZINC000922055657 798772375 /nfs/dbraw/zinc/77/23/75/798772375.db2.gz RUMSMZXMMXWGFE-GFCCVEGCSA-N 0 0 344.415 2.374 10 10 EECERN COC(=O)c1ncoc1CCC(=O)NCc1cccc(Cl)c1O ZINC001180409610 800419905 /nfs/dbraw/zinc/41/99/05/800419905.db2.gz FEKALIITIOPAJO-UHFFFAOYSA-N 0 0 338.747 2.069 10 10 EECERN COC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC000790505213 808763558 /nfs/dbraw/zinc/76/35/58/808763558.db2.gz QOPCKIJDBHMMLZ-UHFFFAOYSA-N 0 0 329.352 2.303 10 10 EECERN COc1cccc(CNC(=O)Nc2cnc(CC3CC3)nc2)c1O ZINC000794371303 810800958 /nfs/dbraw/zinc/80/09/58/810800958.db2.gz XBZLCIRRXDZEQQ-UHFFFAOYSA-N 0 0 328.372 2.465 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(N2CCOCC2)c(F)c1 ZINC001443118226 1097535114 /nfs/dbraw/zinc/53/51/14/1097535114.db2.gz INQLWBQBAHDMDF-UHFFFAOYSA-N 0 0 346.358 2.255 10 10 EECERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)NCc1ccc(O)cc1O ZINC001451762711 1097906754 /nfs/dbraw/zinc/90/67/54/1097906754.db2.gz STFSQGDBBAIXHU-GFCCVEGCSA-N 0 0 326.352 2.230 10 10 EECERN Cc1c(Br)cncc1C(=O)NCc1cccc(O)c1O ZINC001455317188 1108425909 /nfs/dbraw/zinc/42/59/09/1108425909.db2.gz SKJNELIDABOIPJ-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN COCCOCc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001455355323 1108472816 /nfs/dbraw/zinc/47/28/16/1108472816.db2.gz SVQAZYMQGKQVCO-UHFFFAOYSA-N 0 0 331.368 2.191 10 10 EECERN CC(C)OC(=O)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)[nH]n1 ZINC001456332567 1109146671 /nfs/dbraw/zinc/14/66/71/1109146671.db2.gz LNTAJOSRPYWXSB-GQCTYLIASA-N 0 0 331.328 2.038 10 10 EECERN CCOC(=O)Cc1cccc(N(C)C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001457111775 1109463759 /nfs/dbraw/zinc/46/37/59/1109463759.db2.gz ZVRLJBDGIMVTKB-UHFFFAOYSA-N 0 0 343.379 2.409 10 10 EECERN CC(=O)Nc1cnccc1C(=O)NCc1ccc2cccnc2c1O ZINC001469251108 1110487922 /nfs/dbraw/zinc/48/79/22/1110487922.db2.gz WGQXCXYKRIMLPO-UHFFFAOYSA-N 0 0 336.351 2.224 10 10 EECERN C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[nH]1)c1ccccc1O ZINC001469901757 1110498780 /nfs/dbraw/zinc/49/87/80/1110498780.db2.gz VUYKITUYXGCAAM-SSDOTTSWSA-N 0 0 329.282 2.090 10 10 EECERN CC(C)C[C@H](C(=O)NCc1cc(O)ccc1O)N1CCCCC1=O ZINC001471661095 1110527807 /nfs/dbraw/zinc/52/78/07/1110527807.db2.gz HVGBGAUICHMKAS-OAHLLOKOSA-N 0 0 334.416 2.141 10 10 EECERN CC(=O)NCC(C)(C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001508672434 1115604705 /nfs/dbraw/zinc/60/47/05/1115604705.db2.gz FONWKJKIUUOZNJ-UHFFFAOYSA-N 0 0 333.392 2.083 10 10 EECERN CC(C)=CC(=O)N[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001523038877 1119606606 /nfs/dbraw/zinc/60/66/06/1119606606.db2.gz WDOMSKYTIANTMG-CQSZACIVSA-N 0 0 343.387 2.146 10 10 EECERN CCCCC(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001524684787 1120218538 /nfs/dbraw/zinc/21/85/38/1120218538.db2.gz PYWCPSHPCZPSOS-AWEZNQCLSA-N 0 0 345.403 2.370 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(N2CCNC2=O)cc1 ZINC001540531242 1124085369 /nfs/dbraw/zinc/08/53/69/1124085369.db2.gz DIXVKQOYDRHZRH-WAPJZHGLSA-N 0 0 339.351 2.279 10 10 EECERN O=C(Cc1c[nH]c2cnc(Cl)cc12)NCc1ccc(O)c(O)c1 ZINC001545639527 1124200140 /nfs/dbraw/zinc/20/01/40/1124200140.db2.gz RWMDOHIZJNQDFX-UHFFFAOYSA-N 0 0 331.759 2.486 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2NC(=O)CC23CCCCC3)cc1 ZINC001568722929 1124738624 /nfs/dbraw/zinc/73/86/24/1124738624.db2.gz YULDKOQJKBHHNF-UHFFFAOYSA-N 0 0 329.360 2.429 10 10 EECERN Cc1cc(NCCNC(=O)c2c(F)ccc(O)c2O)nc(C(C)C)n1 ZINC000530272837 449099506 /nfs/dbraw/zinc/09/95/06/449099506.db2.gz DVDRMAFBJVKUNL-UHFFFAOYSA-N 0 0 348.378 2.301 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000066812529 462933163 /nfs/dbraw/zinc/93/31/63/462933163.db2.gz GILGVYLVFLEIEG-CFNZNRNTSA-N 0 0 348.355 2.170 10 10 EECERN CCOc1ccc(O)c(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1 ZINC000121327444 463117353 /nfs/dbraw/zinc/11/73/53/463117353.db2.gz NUIFZOMUMGQAOF-CYBMUJFWSA-N 0 0 346.431 2.361 10 10 EECERN CN(CCc1nccs1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000157816984 463172984 /nfs/dbraw/zinc/17/29/84/463172984.db2.gz NNSXXPCFJOFHGF-UHFFFAOYSA-N 0 0 334.357 2.061 10 10 EECERN COc1cc2c(cc1OC)CCN(C(=O)Cc1ccc(N)cc1)CC2 ZINC000148773076 463402840 /nfs/dbraw/zinc/40/28/40/463402840.db2.gz IWBOSZSHSDLCCQ-UHFFFAOYSA-N 0 0 340.423 2.456 10 10 EECERN CCOc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1O ZINC000274794388 464755400 /nfs/dbraw/zinc/75/54/00/464755400.db2.gz NGCLQLYWTBXYBT-UHFFFAOYSA-N 0 0 343.427 2.312 10 10 EECERN CC1=S=C(C(=O)Nc2nnc(-c3ccco3)s2)C=C1[N+](=O)[O-] ZINC000344020877 465576904 /nfs/dbraw/zinc/57/69/04/465576904.db2.gz PQTXOVLZPURXDL-UHFFFAOYSA-N 0 0 336.354 2.009 10 10 EECERN C[C@@H](Cn1cncn1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299652521 465842908 /nfs/dbraw/zinc/84/29/08/465842908.db2.gz PVGVRWYUDXSISA-AWEZNQCLSA-N 0 0 342.447 2.107 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368183231 466585995 /nfs/dbraw/zinc/58/59/95/466585995.db2.gz GQLXRJPDFPCHGX-OAHLLOKOSA-N 0 0 339.443 2.367 10 10 EECERN COc1ccc(CNC(=O)N[C@@H]2COc3ccc(F)cc3C2)c(O)c1 ZINC000365747138 466926422 /nfs/dbraw/zinc/92/64/22/466926422.db2.gz CJAIWUYORMAPFO-AWEZNQCLSA-N 0 0 346.358 2.343 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C[C@H]1CCC1(F)F ZINC000632051399 470198624 /nfs/dbraw/zinc/19/86/24/470198624.db2.gz LIVBQYSWPQMZCH-LLVKDONJSA-N 0 0 346.399 2.327 10 10 EECERN CCC1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000097374315 527856094 /nfs/dbraw/zinc/85/60/94/527856094.db2.gz HIMFTGYSWYBNMX-UHFFFAOYSA-N 0 0 340.445 2.462 10 10 EECERN CC(C)(C)OCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000726235839 576248291 /nfs/dbraw/zinc/24/82/91/576248291.db2.gz GKFVQSYDAWCCKS-UHFFFAOYSA-N 0 0 335.448 2.138 10 10 EECERN COc1cccc(-c2nc(C(=O)NCc3ccccc3O)no2)c1 ZINC000769364931 577575989 /nfs/dbraw/zinc/57/59/89/577575989.db2.gz KVOAHIOHLAPWPB-UHFFFAOYSA-N 0 0 325.324 2.381 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@]4(CCCOC4)C3)cc2N1 ZINC000761908042 577691371 /nfs/dbraw/zinc/69/13/71/577691371.db2.gz MBMHWWUEVAOXIM-QGZVFWFLSA-N 0 0 347.371 2.323 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000763629372 577723673 /nfs/dbraw/zinc/72/36/73/577723673.db2.gz WZAGUUZMAKMTIR-KBXCAEBGSA-N 0 0 347.459 2.388 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCN3C(=O)OCC[C@@H]3C2)c1O ZINC000764448691 577736183 /nfs/dbraw/zinc/73/61/83/577736183.db2.gz UUQKWSRKBIDTOX-CYBMUJFWSA-N 0 0 338.791 2.275 10 10 EECERN CC1CCN(c2ccc(CNS(=O)(=O)N(C)C3CC3)cc2)CC1 ZINC000736335504 578197292 /nfs/dbraw/zinc/19/72/92/578197292.db2.gz IXDUCYIZKURCBA-UHFFFAOYSA-N 0 0 337.489 2.352 10 10 EECERN CN(C)c1ccc(CN(C(=O)[C@H]2CCCN(C)C2=O)C2CC2)cc1 ZINC000294362767 683283679 /nfs/dbraw/zinc/28/36/79/683283679.db2.gz MLVNBKPDAXELQX-KRWDZBQOSA-N 0 0 329.444 2.112 10 10 EECERN Cn1cc(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC000896095700 684838391 /nfs/dbraw/zinc/83/83/91/684838391.db2.gz LLUFBANPGCGECW-UHFFFAOYSA-N 0 0 331.397 2.409 10 10 EECERN C[C@@H](CC[S@](C)=O)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896731334 685208959 /nfs/dbraw/zinc/20/89/59/685208959.db2.gz NECOFCMINHQRDG-PPRQPISWSA-N 0 0 327.427 2.199 10 10 EECERN CC(C)C(=O)NCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897280633 686513273 /nfs/dbraw/zinc/51/32/73/686513273.db2.gz AFXKOFMQVSBUPD-UHFFFAOYSA-N 0 0 336.413 2.157 10 10 EECERN COc1cccc(CNC(=O)NC[C@]23C[C@H]2COC32CCC2)c1O ZINC000898686368 693422336 /nfs/dbraw/zinc/42/23/36/693422336.db2.gz QDFCZOIDLQLBQL-SUMWQHHRSA-N 0 0 332.400 2.159 10 10 EECERN O=C(N[C@@H]1CCN(C2CCC2)C1=O)c1cc2cc(O)c(O)cc2s1 ZINC000899154744 693635563 /nfs/dbraw/zinc/63/55/63/693635563.db2.gz QIPWLPFQVMXTMI-LLVKDONJSA-N 0 0 346.408 2.196 10 10 EECERN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899205690 693659242 /nfs/dbraw/zinc/65/92/42/693659242.db2.gz BXKDFCLFUQBQKE-IUCAKERBSA-N 0 0 339.344 2.038 10 10 EECERN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001625914816 1181657865 /nfs/dbraw/zinc/65/78/65/1181657865.db2.gz RYWQXSAJXWVPMF-UHFFFAOYSA-N 0 0 330.340 2.250 10 10 EECERN C[C@H](NC(=O)/C=C/c1ccc(C(N)=O)o1)c1ccc(N(C)C)cc1 ZINC001269588603 1184414017 /nfs/dbraw/zinc/41/40/17/1184414017.db2.gz SJWNTYFWPJWPBH-ZKQHCESOSA-N 0 0 327.384 2.335 10 10 EECERN C[C@@H](CNCc1ccon1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001271229614 1186093819 /nfs/dbraw/zinc/09/38/19/1186093819.db2.gz ZKLZYUFBCWHLRM-NSHDSACASA-N 0 0 344.375 2.087 10 10 EECERN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000905457481 1189735726 /nfs/dbraw/zinc/73/57/26/1189735726.db2.gz XDWWIBGYKBBHTQ-JCGIZDLHSA-N 0 0 332.444 2.153 10 10 EECERN CO[C@@H]1CCn2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)nc2C1 ZINC000864635410 1197856581 /nfs/dbraw/zinc/85/65/81/1197856581.db2.gz ZSNAYMMVACYVEY-MRXNPFEDSA-N 0 0 342.443 2.183 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc1 ZINC000864635394 1197856746 /nfs/dbraw/zinc/85/67/46/1197856746.db2.gz ZDBHDCFGWQYGOX-KGLIPLIRSA-N 0 0 346.349 2.057 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C2(N3CCOCC3)CC2)cc1 ZINC000864636332 1197857815 /nfs/dbraw/zinc/85/78/15/1197857815.db2.gz GHNLYBIQOADYRA-UHFFFAOYSA-N 0 0 345.487 2.356 10 10 EECERN CC(C)C[C@@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCNC1=O ZINC000865051676 1198064564 /nfs/dbraw/zinc/06/45/64/1198064564.db2.gz RUDXDGVACGBQNY-SFHVURJKSA-N 0 0 335.423 2.060 10 10 EECERN CN1CCCc2cc(CNC(=O)/C=C\COC3CCOCC3)ccc21 ZINC000865053645 1198065716 /nfs/dbraw/zinc/06/57/16/1198065716.db2.gz KZZZZUOXGKTVSY-HYXAFXHYSA-N 0 0 344.455 2.437 10 10 EECERN COc1ccc(N2CCN(C(=O)c3nnc(C4CC4)o3)CC2)cc1F ZINC000865951996 1198434951 /nfs/dbraw/zinc/43/49/51/1198434951.db2.gz MRTMXRYNELUIJN-UHFFFAOYSA-N 0 0 346.362 2.057 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCCCc2ncn(C)n2)cc1 ZINC000825722512 1198845513 /nfs/dbraw/zinc/84/55/13/1198845513.db2.gz YWOJZWFVUVZPRW-UHFFFAOYSA-N 0 0 344.463 2.093 10 10 EECERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3Cc4cccc(O)c4C3)[C@H]2C1 ZINC000875587885 1199308302 /nfs/dbraw/zinc/30/83/02/1199308302.db2.gz KVYMNWOMMZOJSR-QRTARXTBSA-N 0 0 343.427 2.064 10 10 EECERN C[C@H]1C(=O)N(C)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000825958116 1199908123 /nfs/dbraw/zinc/90/81/23/1199908123.db2.gz WVFDRZZONBKRJP-HNNXBMFYSA-N 0 0 344.459 2.253 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000869792535 1200283063 /nfs/dbraw/zinc/28/30/63/1200283063.db2.gz NAXGWZLAOLLKMP-SWLSCSKDSA-N 0 0 339.185 2.428 10 10 EECERN Cc1ncc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000878301271 1200384376 /nfs/dbraw/zinc/38/43/76/1200384376.db2.gz VPGLNIQCOCYXEG-UHFFFAOYSA-N 0 0 343.427 2.051 10 10 EECERN CCC(C)(C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000870289613 1200595085 /nfs/dbraw/zinc/59/50/85/1200595085.db2.gz BOQRNRUXKBSAEN-UHFFFAOYSA-N 0 0 328.434 2.320 10 10 EECERN CC1(C)[C@@H](O)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000812877255 1200963995 /nfs/dbraw/zinc/96/39/95/1200963995.db2.gz VATNLMPDWKBTLD-INIZCTEOSA-N 0 0 349.500 2.295 10 10 EECERN C[C@@H](NC(=O)N1CC[C@H](O)C1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000812878813 1200964582 /nfs/dbraw/zinc/96/45/82/1200964582.db2.gz IDAMIIJLPZXHBI-PBHICJAKSA-N 0 0 347.459 2.139 10 10 EECERN COc1cccc(OC)c1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690962 1201660204 /nfs/dbraw/zinc/66/02/04/1201660204.db2.gz OTTPCMLQHJODNH-UHFFFAOYSA-N 0 0 335.381 2.114 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000927567462 1206277206 /nfs/dbraw/zinc/27/72/06/1206277206.db2.gz BNJJRBPSSJDLMH-PPMAIFSPSA-N 0 0 331.290 2.337 10 10 EECERN COC(=O)CC1CC(NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000927929447 1206317540 /nfs/dbraw/zinc/31/75/40/1206317540.db2.gz RDOBGRVSVZLNPR-UHFFFAOYSA-N 0 0 335.381 2.384 10 10 EECERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928711219 1206414019 /nfs/dbraw/zinc/41/40/19/1206414019.db2.gz IGZALOGEHFJNRM-GFCCVEGCSA-N 0 0 336.407 2.432 10 10 EECERN CCc1cc(CC(=O)NCc2ccc3c(c2)CCCN3C)n(C)n1 ZINC000931152638 1206611342 /nfs/dbraw/zinc/61/13/42/1206611342.db2.gz VHYBMJUSUFWLKN-UHFFFAOYSA-N 0 0 326.444 2.224 10 10 EECERN O=C(NCCCN1CCCC1=O)NCc1ccc(N2CCCC2)cc1 ZINC000047595835 1208418730 /nfs/dbraw/zinc/41/87/30/1208418730.db2.gz AZMMVUDXPXDJLZ-UHFFFAOYSA-N 0 0 344.459 2.099 10 10 EECERN CO[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000187845934 1208550611 /nfs/dbraw/zinc/55/06/11/1208550611.db2.gz SAEACQCFCHBZOV-KBPBESRZSA-N 0 0 337.489 2.462 10 10 EECERN CCOc1cccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000779532291 1210416302 /nfs/dbraw/zinc/41/63/02/1210416302.db2.gz MKNHQPKRYAQDMO-CLFYSBASSA-N 0 0 328.368 2.264 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H]2CSCN2C(C)=O)cc1 ZINC000194823391 1211275980 /nfs/dbraw/zinc/27/59/80/1211275980.db2.gz DJIZPJKDCZWZLT-MRXNPFEDSA-N 0 0 335.473 2.070 10 10 EECERN COc1ccc(N(C)C[C@@H](O)COC[C@H]2CCCO2)cc1Cl ZINC000246524449 1212702275 /nfs/dbraw/zinc/70/22/75/1212702275.db2.gz KTEYNVODEXPMIR-ZIAGYGMSSA-N 0 0 329.824 2.341 10 10 EECERN CN(C)c1ccc(C=c2sc3nc(-c4ccco4)nn3c2=O)cc1 ZINC000254705758 1217265648 /nfs/dbraw/zinc/26/56/48/1217265648.db2.gz PRTMZXIHNHIJOX-UHFFFAOYSA-N 0 0 338.392 2.025 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(OCC3CC3)cn2)c1 ZINC000802782061 1238220650 /nfs/dbraw/zinc/22/06/50/1238220650.db2.gz NACKLNMGGGWWFT-LLVKDONJSA-N 0 0 343.383 2.471 10 10 EECERN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC2(CCC2)O1 ZINC000826790501 1248068744 /nfs/dbraw/zinc/06/87/44/1248068744.db2.gz AEYYLMNZTKEUNS-SNVBAGLBSA-N 0 0 333.344 2.074 10 10 EECERN CO[C@H](C[NH2+]Cc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000850344858 1277191137 /nfs/dbraw/zinc/19/11/37/1277191137.db2.gz ZLBVWENJDOOYHX-IINYFYTJSA-N 0 0 330.222 2.296 10 10 EECERN Cc1cc(C(=O)CSc2nc(N)n[nH]2)c(C)n1-c1ccc(F)cn1 ZINC001188192011 1279788500 /nfs/dbraw/zinc/78/85/00/1279788500.db2.gz JEVPEIAZKOGNBP-UHFFFAOYSA-N 0 0 346.391 2.304 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCOC3CCC3)C2)cc1 ZINC000852156777 1292018470 /nfs/dbraw/zinc/01/84/70/1292018470.db2.gz QVTWIPQEGPDKNI-CQSZACIVSA-N 0 0 333.432 2.142 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@H](C)C(O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000853835294 1292480614 /nfs/dbraw/zinc/48/06/14/1292480614.db2.gz XTHUSSLOSRSYOC-YILIYONBSA-N 0 0 334.372 2.234 10 10 EECERN CC[C@@H]1[C@@H](CO)CCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296856 1292707584 /nfs/dbraw/zinc/70/75/84/1292707584.db2.gz HDAQQBLRBNODSV-IIDMSEBBSA-N 0 0 347.459 2.076 10 10 EECERN CCN(C[C@H](C)OC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296891 1292708129 /nfs/dbraw/zinc/70/81/29/1292708129.db2.gz HKUGPWKIRNHJTH-LSDHHAIUSA-N 0 0 335.448 2.340 10 10 EECERN COCCC1(C)CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854297986 1292709378 /nfs/dbraw/zinc/70/93/78/1292709378.db2.gz UHXLSMOGTMSPQF-OAHLLOKOSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H]3CCSC3)C2)cc1 ZINC000854299724 1292711575 /nfs/dbraw/zinc/71/15/75/1292711575.db2.gz KNWHGCZRMJWNPI-HIFRSBDPSA-N 0 0 335.473 2.421 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)n3cccn3)C2)cc1 ZINC000855222856 1293115355 /nfs/dbraw/zinc/11/53/55/1293115355.db2.gz BLEYEURCYZZCOP-HUUCEWRRSA-N 0 0 328.416 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)n3cccn3)C2)cc1 ZINC000855222849 1293115806 /nfs/dbraw/zinc/11/58/06/1293115806.db2.gz BIOUZDORAVOLPL-CQSZACIVSA-N 0 0 328.416 2.022 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ncccc3OC)C2)cc1 ZINC000855223405 1293116572 /nfs/dbraw/zinc/11/65/72/1293116572.db2.gz GRQIIEDWUYPRDT-CQSZACIVSA-N 0 0 341.411 2.036 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ncc(F)cc3F)C2)cc1 ZINC000855222971 1293116619 /nfs/dbraw/zinc/11/66/19/1293116619.db2.gz ABSPMLCGTSQCSU-GFCCVEGCSA-N 0 0 333.338 2.377 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@](C)(O)c3ccccc3)C2)cc1 ZINC000855224555 1293116644 /nfs/dbraw/zinc/11/66/44/1293116644.db2.gz LUXYGILITKFBLO-JXFKEZNVSA-N 0 0 340.423 2.298 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCOCC(F)F)C2)cc1 ZINC000855224362 1293116819 /nfs/dbraw/zinc/11/68/19/1293116819.db2.gz KAOVRVDWZKSFCG-LBPRGKRZSA-N 0 0 328.359 2.062 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccn(C(F)F)n3)C2)cc1 ZINC000855225030 1293117753 /nfs/dbraw/zinc/11/77/53/1293117753.db2.gz HZEMZZITVVJTSC-NSHDSACASA-N 0 0 336.342 2.296 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3occ4c3CCOC4)C2)cc1 ZINC000855226185 1293118970 /nfs/dbraw/zinc/11/89/70/1293118970.db2.gz NXGXLFQWAQPAOB-CQSZACIVSA-N 0 0 342.395 2.370 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C3(C(=O)C4CC4)CC3)C2)cc1 ZINC000855227322 1293119917 /nfs/dbraw/zinc/11/99/17/1293119917.db2.gz XKJZMHGFZSTZQP-AWEZNQCLSA-N 0 0 328.412 2.149 10 10 EECERN CCOC(=O)C1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1 ZINC000855234174 1293123237 /nfs/dbraw/zinc/12/32/37/1293123237.db2.gz UNCFWBGXWGUJJW-AWEZNQCLSA-N 0 0 346.427 2.124 10 10 EECERN O=C(NCC[C@@H]1CC1(F)F)NCc1ccc(N2CCOCC2)cc1 ZINC000856827569 1293650780 /nfs/dbraw/zinc/65/07/80/1293650780.db2.gz SJGMEVGESXDNNW-CQSZACIVSA-N 0 0 339.386 2.368 10 10 EECERN Nc1ccc(NC(=O)C(=O)NCC2(C(F)(F)F)CCCC2)cc1 ZINC000861529955 1295439391 /nfs/dbraw/zinc/43/93/91/1295439391.db2.gz QOCCZIKYHQITEM-UHFFFAOYSA-N 0 0 329.322 2.446 10 10 EECERN CN(C)c1cc(F)c(CN2CC(C)(C)O[C@@H]3COC[C@H]32)cc1F ZINC000862402149 1295830927 /nfs/dbraw/zinc/83/09/27/1295830927.db2.gz IBIXLDCERIPHLA-HZPDHXFCSA-N 0 0 326.387 2.409 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1 ZINC000862650730 1295916192 /nfs/dbraw/zinc/91/61/92/1295916192.db2.gz UYLJLILDPRIKOH-MSOLQXFVSA-N 0 0 328.412 2.364 10 10 EECERN COc1ccc(CN2CC[C@@H]2CNC(=O)C2=CC(=O)CS2)cc1 ZINC000862753943 1295950470 /nfs/dbraw/zinc/95/04/70/1295950470.db2.gz MIMMGRVRGDRIKR-CYBMUJFWSA-N 0 0 332.425 2.467 10 10 EECERN COc1ccc(N2CCN(C[C@@H](O)c3ccc(F)cn3)CC2)cc1F ZINC000799305169 1305221235 /nfs/dbraw/zinc/22/12/35/1305221235.db2.gz PUZXMLIEROOFBS-QGZVFWFLSA-N 0 0 349.381 2.224 10 10 EECERN Cc1cc(C(=O)N2CC[C@](O)(C(F)F)C2)c(C)n1-c1ccccn1 ZINC001117821108 1306177643 /nfs/dbraw/zinc/17/76/43/1306177643.db2.gz MWDKYRHYCKBVGR-QGZVFWFLSA-N 0 0 335.354 2.331 10 10 EECERN Cc1cc(C(=O)N2CC[C@@](O)(C(F)F)C2)c(C)n1-c1ccccn1 ZINC001117821107 1306178640 /nfs/dbraw/zinc/17/86/40/1306178640.db2.gz MWDKYRHYCKBVGR-KRWDZBQOSA-N 0 0 335.354 2.331 10 10 EECERN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C(=O)O1 ZINC001248370691 1310897524 /nfs/dbraw/zinc/89/75/24/1310897524.db2.gz GTVNGFOXNOOYOW-CJNGLKHVSA-N 0 0 331.416 2.132 10 10 EECERN COc1nccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001124550421 1310915799 /nfs/dbraw/zinc/91/57/99/1310915799.db2.gz COYCZIQSENPZPO-UHFFFAOYSA-N 0 0 326.400 2.358 10 10 EECERN CC[C@@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000838485974 1315169566 /nfs/dbraw/zinc/16/95/66/1315169566.db2.gz KXKFRSNALHEFNI-SJLPKXTDSA-N 0 0 329.444 2.365 10 10 EECERN COC(=O)c1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840555378 1315376010 /nfs/dbraw/zinc/37/60/10/1315376010.db2.gz ORWCNHYMZUCPOB-LBPRGKRZSA-N 0 0 345.399 2.197 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc3[nH]c(CO)nc3c2)cc1F ZINC001142565584 1315663411 /nfs/dbraw/zinc/66/34/11/1315663411.db2.gz DXWBLURLQRRAAW-UHFFFAOYSA-N 0 0 342.374 2.190 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001153798970 1316885879 /nfs/dbraw/zinc/88/58/79/1316885879.db2.gz ZFKDFMFMPWCWIL-KBPBESRZSA-N 0 0 328.324 2.426 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCCCc1cccc(F)c1 ZINC001258248137 1319220408 /nfs/dbraw/zinc/22/04/08/1319220408.db2.gz ODOYMCSEXFULHX-UHFFFAOYSA-N 0 0 344.386 2.239 10 10 EECERN C=CC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2ccccc2O)c1 ZINC001294680604 1329119073 /nfs/dbraw/zinc/11/90/73/1329119073.db2.gz XTLXVADDEBHMQY-UHFFFAOYSA-N 0 0 326.352 2.495 10 10 EECERN CC(C)CC(=O)N[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001281015787 1324718009 /nfs/dbraw/zinc/71/80/09/1324718009.db2.gz OSYMPAOARORPJX-GFCCVEGCSA-N 0 0 347.419 2.472 10 10 EECERN COc1ccc(OCCN(C)C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001290219068 1328156478 /nfs/dbraw/zinc/15/64/78/1328156478.db2.gz CLRKHXIVAFJDIX-UHFFFAOYSA-N 0 0 331.368 2.186 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](c2ccccc2F)C1 ZINC001292704870 1328476665 /nfs/dbraw/zinc/47/66/65/1328476665.db2.gz ASHDLGOYPYWITJ-KRWDZBQOSA-N 0 0 331.343 2.380 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCCCO ZINC001295591222 1329824191 /nfs/dbraw/zinc/82/41/91/1329824191.db2.gz YIKRSHAITFVKRT-UHFFFAOYSA-N 0 0 343.807 2.100 10 10 EECERN CCOC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(O)c1 ZINC001295837322 1329848056 /nfs/dbraw/zinc/84/80/56/1329848056.db2.gz VOKDIWBUYYJTIB-UHFFFAOYSA-N 0 0 331.324 2.161 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)nc1-c1ccco1 ZINC001296246745 1329877337 /nfs/dbraw/zinc/87/73/37/1329877337.db2.gz OTNBSZBPHCILBM-LLVKDONJSA-N 0 0 341.367 2.452 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)CC2CCOCC2)cc1 ZINC001297176308 1329948958 /nfs/dbraw/zinc/94/89/58/1329948958.db2.gz RVHBGCNJTZTCRE-ZDUSSCGKSA-N 0 0 348.403 2.004 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N1CC(Cc2cccs2)C1 ZINC001329341766 1334630829 /nfs/dbraw/zinc/63/08/29/1334630829.db2.gz NRTKQADEPKZQQS-UHFFFAOYSA-N 0 0 344.436 2.113 10 10 EECERN CCC[C@@]1(COC)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329481610 1334659319 /nfs/dbraw/zinc/65/93/19/1334659319.db2.gz AZMZIJKOCAJREH-IBGZPJMESA-N 0 0 346.427 2.042 10 10 EECERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330487351 1334855677 /nfs/dbraw/zinc/85/56/77/1334855677.db2.gz RGSFRSFASOWFRQ-BXKDBHETSA-N 0 0 342.317 2.034 10 10 EECERN CCSCC[C@H](C)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332023255 1335708143 /nfs/dbraw/zinc/70/81/43/1335708143.db2.gz LPHGQTKIWIRBHE-LBPRGKRZSA-N 0 0 336.457 2.225 10 10 EECERN COC(=O)c1c2c(sc1NC(=O)[C@H]1C[C@H]1C(=O)OC)CCCC2 ZINC001351744763 1337843520 /nfs/dbraw/zinc/84/35/20/1337843520.db2.gz ZGKPKTNJGWZGNV-VHSXEESVSA-N 0 0 337.397 2.161 10 10 EECERN CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cn1 ZINC001557084845 1342440497 /nfs/dbraw/zinc/44/04/97/1342440497.db2.gz QJJBCSNYMTYFDI-UHFFFAOYSA-N 0 0 343.383 2.407 10 10 EECERN O=C(NCc1nc(C(F)F)no1)NCc1cccc(Cl)c1O ZINC001676207990 1357120529 /nfs/dbraw/zinc/12/05/29/1357120529.db2.gz WYHWGRITWZTMGP-UHFFFAOYSA-N 0 0 332.694 2.366 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC001583528435 1344912088 /nfs/dbraw/zinc/91/20/88/1344912088.db2.gz IKMGYTWAUMJCEF-UHFFFAOYSA-N 0 0 349.770 2.381 10 10 EECERN COc1ccc2c(ccn2CC(=O)NCc2cc(O)ccc2O)c1 ZINC001593873560 1349873141 /nfs/dbraw/zinc/87/31/41/1349873141.db2.gz RJSJKDYLEVGLRO-UHFFFAOYSA-N 0 0 326.352 2.378 10 10 EECERN COC(=O)c1ccc(CC(=O)NCc2cccc(OC)c2O)cc1 ZINC001595800121 1349895455 /nfs/dbraw/zinc/89/54/55/1349895455.db2.gz OHFVBJHXBMWFMK-UHFFFAOYSA-N 0 0 329.352 2.046 10 10 EECERN CN(C)C(=O)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001624679773 1352427698 /nfs/dbraw/zinc/42/76/98/1352427698.db2.gz SUTXOEXWUKKOBE-CQSZACIVSA-N 0 0 328.368 2.047 10 10 EECERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(O)cc1O ZINC001626838097 1352475056 /nfs/dbraw/zinc/47/50/56/1352475056.db2.gz NMFSUTJTUVNBRM-QWRGUYRKSA-N 0 0 338.404 2.263 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ncc(Br)s1 ZINC001626847638 1352475079 /nfs/dbraw/zinc/47/50/79/1352475079.db2.gz FNHBDNRVVXPEME-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1c[nH]c(=O)cc1C(F)(F)F ZINC001630335165 1352568167 /nfs/dbraw/zinc/56/81/67/1352568167.db2.gz LTHDHQRQHGINAC-UHFFFAOYSA-N 0 0 342.273 2.190 10 10 EECERN CCn1cc(Br)c(C(=O)NCc2cc(O)ccc2O)n1 ZINC001637129978 1352672910 /nfs/dbraw/zinc/67/29/10/1352672910.db2.gz SKFAQQUXMOOWOD-UHFFFAOYSA-N 0 0 340.177 2.007 10 10 EECERN O=C(CCOCC(F)(F)C(F)(F)F)NCc1c(O)cccc1O ZINC001647268779 1353213108 /nfs/dbraw/zinc/21/31/08/1353213108.db2.gz CCSNOAXWARDCHW-UHFFFAOYSA-N 0 0 343.248 2.318 10 10 EECERN COC(=O)CCc1ccccc1C(=O)NCc1c(O)cccc1O ZINC001647291302 1353220656 /nfs/dbraw/zinc/22/06/56/1353220656.db2.gz VYURJJYUXDWRQK-UHFFFAOYSA-N 0 0 329.352 2.133 10 10 EECERN COC[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)OC ZINC001671550788 1356360794 /nfs/dbraw/zinc/36/07/94/1356360794.db2.gz OAQKADNSGWOXPX-KRWDZBQOSA-N 0 0 335.448 2.090 10 10 EECERN O=C(NCCN1CCc2ccccc21)NCc1c(O)cccc1F ZINC001675887326 1357063831 /nfs/dbraw/zinc/06/38/31/1357063831.db2.gz GAWFCTRKYKGTLL-UHFFFAOYSA-N 0 0 329.375 2.393 10 10 EECERN COC1(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)CCOCC1 ZINC000154862604 769499856 /nfs/dbraw/zinc/49/98/56/769499856.db2.gz MUOYEMQHBLCPOQ-UHFFFAOYSA-N 0 0 343.383 2.176 10 10 EECERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000906856933 784212768 /nfs/dbraw/zinc/21/27/68/784212768.db2.gz SPFNLBXAUXMGLW-UONOGXRCSA-N 0 0 332.400 2.067 10 10 EECERN CN(C)c1ccc(CN2C(=O)N[C@H](CCOC(C)(C)C)C2=O)cc1 ZINC000804143652 785301263 /nfs/dbraw/zinc/30/12/63/785301263.db2.gz HDILVOSSUGVOIV-OAHLLOKOSA-N 0 0 333.432 2.378 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3nccnc3Cl)C2)cc1 ZINC000912292694 788090170 /nfs/dbraw/zinc/09/01/70/788090170.db2.gz OVYPGOZEVUHCBS-LLVKDONJSA-N 0 0 332.791 2.147 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cn3ccnc3C(C)C)C2)cc1 ZINC000824372507 788150771 /nfs/dbraw/zinc/15/07/71/788150771.db2.gz DSTQTLNKZPCPAR-OAHLLOKOSA-N 0 0 342.443 2.410 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3CCO[C@@H](C)CC3)C2)cc1 ZINC000922950214 788425636 /nfs/dbraw/zinc/42/56/36/788425636.db2.gz FOEGQKNHPUSVRF-HOTGVXAUSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)CC[C@H]3C)C2)cc1 ZINC000923185230 789073243 /nfs/dbraw/zinc/07/32/43/789073243.db2.gz DNTYVJZMPZYJJA-KGLIPLIRSA-N 0 0 331.416 2.037 10 10 EECERN COC1(C[C@@H]2NC(=O)N(Cc3ccc(N(C)C)cc3C)C2=O)CCC1 ZINC000844716533 789319132 /nfs/dbraw/zinc/31/91/32/789319132.db2.gz JVSSOXWJNSSUEE-INIZCTEOSA-N 0 0 345.443 2.441 10 10 EECERN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)NCc2c(O)cccc2F)cn1 ZINC000923302905 789340731 /nfs/dbraw/zinc/34/07/31/789340731.db2.gz XGBDQYZIKBLHDA-CZUORRHYSA-N 0 0 346.406 2.475 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@]23C[C@H]2COC3)cc1 ZINC000923354379 789434134 /nfs/dbraw/zinc/43/41/34/789434134.db2.gz MOVWJVVDHPAQMJ-PXNSSMCTSA-N 0 0 338.407 2.354 10 10 EECERN NC(=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000172549215 791712058 /nfs/dbraw/zinc/71/20/58/791712058.db2.gz BOXSHLOHIWGSMD-CVEARBPZSA-N 0 0 344.459 2.130 10 10 EECERN C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715716224 795484036 /nfs/dbraw/zinc/48/40/36/795484036.db2.gz DJUYZBKODMHJSV-HQJQHLMTSA-N 0 0 331.185 2.051 10 10 EECERN O=S(=O)(NCc1ccccc1O)c1cnccc1C(F)(F)F ZINC000785494989 806501555 /nfs/dbraw/zinc/50/15/55/806501555.db2.gz LKLOULLYHMKODM-UHFFFAOYSA-N 0 0 332.303 2.285 10 10 EECERN CNC(=O)[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C(C)C ZINC000785589071 806517626 /nfs/dbraw/zinc/51/76/26/806517626.db2.gz JESWHEYYPQNWBL-LBPRGKRZSA-N 0 0 329.238 2.323 10 10 EECERN Cc1onc(-c2ccccn2)c1C(=O)NCc1cc(O)ccc1O ZINC001176747806 798547397 /nfs/dbraw/zinc/54/73/97/798547397.db2.gz BKXJJQCENNRZBR-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN CCCn1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)nn1 ZINC001176820962 798586091 /nfs/dbraw/zinc/58/60/91/798586091.db2.gz AYTQSGNUGAFWPM-UHFFFAOYSA-N 0 0 332.385 2.244 10 10 EECERN COc1cc(C)cc(NC(=O)C(=O)NCc2ccccc2O)c1C ZINC000787479013 807136163 /nfs/dbraw/zinc/13/61/63/807136163.db2.gz AZVJYTMGCGQVGT-UHFFFAOYSA-N 0 0 328.368 2.273 10 10 EECERN COc1ccc(CNC(=O)N[C@@H](C)c2ccncc2OC)c(O)c1 ZINC000793067964 810123967 /nfs/dbraw/zinc/12/39/67/810123967.db2.gz PPXCVPOBXWJTDZ-NSHDSACASA-N 0 0 331.372 2.365 10 10 EECERN CC(=O)C(=O)COC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000808525506 812691082 /nfs/dbraw/zinc/69/10/82/812691082.db2.gz CEEWQARQNSGNCZ-UHFFFAOYSA-N 0 0 336.731 2.024 10 10 EECERN COc1nsc(OC)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001566008178 1125498583 /nfs/dbraw/zinc/49/85/83/1125498583.db2.gz RKBQTJAMCSWKBR-UHFFFAOYSA-N 0 0 349.412 2.266 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCCC23OCCO3)cc1 ZINC001546065163 1107615869 /nfs/dbraw/zinc/61/58/69/1107615869.db2.gz GQGUOCCXFYSGMN-CYBMUJFWSA-N 0 0 332.360 2.265 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1c(C(F)F)nc2cnccn21 ZINC001455355274 1108473161 /nfs/dbraw/zinc/47/31/61/1108473161.db2.gz RWJWRURSJSSDTI-UHFFFAOYSA-N 0 0 334.282 2.008 10 10 EECERN O=C(CCc1ccc2c(c1)OCCO2)NCc1cc(O)ccc1O ZINC001455357479 1108475017 /nfs/dbraw/zinc/47/50/17/1108475017.db2.gz RMPUOYJNHLCABE-UHFFFAOYSA-N 0 0 329.352 2.118 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC001466798916 1110444054 /nfs/dbraw/zinc/44/40/54/1110444054.db2.gz MPVLIMRBYLQARM-UONOGXRCSA-N 0 0 344.371 2.059 10 10 EECERN Cc1cnc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001468787609 1110480362 /nfs/dbraw/zinc/48/03/62/1110480362.db2.gz QGZMYNUKVMWTCP-UHFFFAOYSA-N 0 0 329.381 2.383 10 10 EECERN O=C(CCc1nc(-c2ccccn2)no1)N1Cc2cccc(O)c2C1 ZINC001471355760 1110521245 /nfs/dbraw/zinc/52/12/45/1110521245.db2.gz UNKUAQJWYNZQTB-UHFFFAOYSA-N 0 0 336.351 2.312 10 10 EECERN Cn1cc([C@H]2CSCCCN2C(=O)Cc2ccc(O)c(O)c2)cn1 ZINC001472138683 1110546823 /nfs/dbraw/zinc/54/68/23/1110546823.db2.gz JJWIEFDKNDRLPP-CQSZACIVSA-N 0 0 347.440 2.081 10 10 EECERN CCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001501330908 1113302137 /nfs/dbraw/zinc/30/21/37/1113302137.db2.gz ZAZAALOUFUIYDN-OCCSQVGLSA-N 0 0 345.403 2.274 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@]2(C)CC(C)(C)OC2=O)c1 ZINC001520145611 1119131591 /nfs/dbraw/zinc/13/15/91/1119131591.db2.gz IDBUEEQQQBJWNT-QGHHPUGFSA-N 0 0 336.388 2.245 10 10 EECERN CCC1(C(=O)NC[C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001533783429 1123257865 /nfs/dbraw/zinc/25/78/65/1123257865.db2.gz XZGYSWWZTWWFGR-LLVKDONJSA-N 0 0 345.403 2.274 10 10 EECERN CCOC(=O)CN(C(=O)/C=C\c1cn(C)cn1)c1ccccc1F ZINC001534548182 1123355387 /nfs/dbraw/zinc/35/53/87/1123355387.db2.gz MRUBNUAHFWOMGC-HJWRWDBZSA-N 0 0 331.347 2.169 10 10 EECERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2[nH]c(=O)[nH]c21 ZINC001542180774 1124111166 /nfs/dbraw/zinc/11/11/66/1124111166.db2.gz YTJZSSKZKBZWGK-UHFFFAOYSA-N 0 0 338.367 2.357 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(O)=C(C(=O)OCC)C(C)C ZINC001568737586 1124752149 /nfs/dbraw/zinc/75/21/49/1124752149.db2.gz DWUXDWKDTNNDRP-CQSZACIVSA-N 0 0 328.405 2.329 10 10 EECERN O=C(Cc1cccc(O)c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000101647646 237068534 /nfs/dbraw/zinc/06/85/34/237068534.db2.gz LAHVKSWSFFPLOF-UHFFFAOYSA-N 0 0 344.386 2.227 10 10 EECERN Cc1nc([C@H](NC(=O)c2cccc(O)c2O)c2ccccc2F)no1 ZINC000193134536 237372274 /nfs/dbraw/zinc/37/22/74/237372274.db2.gz RDQBUYFEQNXQQR-CQSZACIVSA-N 0 0 343.314 2.448 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000020413016 280277243 /nfs/dbraw/zinc/27/72/43/280277243.db2.gz NIMLOOAJTILLAO-GKBVPRJTSA-N 0 0 345.380 2.454 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000529771596 317640910 /nfs/dbraw/zinc/64/09/10/317640910.db2.gz UJJOPUXJCPOOFJ-HUUCEWRRSA-N 0 0 334.441 2.425 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)C(C)C)cc1F ZINC000154890644 462820889 /nfs/dbraw/zinc/82/08/89/462820889.db2.gz RQOMXRWREYUQHW-MRXNPFEDSA-N 0 0 325.428 2.488 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)C(C)(C)C2)c1O ZINC000155408700 462888121 /nfs/dbraw/zinc/88/81/21/462888121.db2.gz CETJAUTVQBFCOW-UHFFFAOYSA-N 0 0 345.848 2.257 10 10 EECERN COc1cccc(CNC(=O)[C@H]2CCCN2c2nccs2)c1O ZINC000155444476 462892608 /nfs/dbraw/zinc/89/26/08/462892608.db2.gz PRYHTPWMQRSJDH-GFCCVEGCSA-N 0 0 333.413 2.143 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)cc1F ZINC000135596394 463180688 /nfs/dbraw/zinc/18/06/88/463180688.db2.gz IBAAOPPJXMBFTR-WBMJQRKESA-N 0 0 344.452 2.269 10 10 EECERN O=C(NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2[O-])CC1)C1CCC1 ZINC000069775974 463323494 /nfs/dbraw/zinc/32/34/94/463323494.db2.gz WHYIGZIMOAKTPE-UHFFFAOYSA-N 0 0 333.388 2.181 10 10 EECERN Nc1ccc(CC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000161563594 463439263 /nfs/dbraw/zinc/43/92/63/463439263.db2.gz XGISKWVOLWIDQL-QGZVFWFLSA-N 0 0 329.444 2.109 10 10 EECERN Cc1cc(CNC(=O)c2ccc(CNC(N)=O)cc2)ccc1N(C)C ZINC000072277514 463494719 /nfs/dbraw/zinc/49/47/19/463494719.db2.gz QHSFMODIYYJTTL-UHFFFAOYSA-N 0 0 340.427 2.159 10 10 EECERN CN(C)c1cc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)ccn1 ZINC000058559152 463609176 /nfs/dbraw/zinc/60/91/76/463609176.db2.gz BBXVODIFDGBTHU-UHFFFAOYSA-N 0 0 345.422 2.352 10 10 EECERN CCOc1ccncc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000289162597 464069026 /nfs/dbraw/zinc/06/90/26/464069026.db2.gz OCZRNHCRTDUDTO-UHFFFAOYSA-N 0 0 349.456 2.367 10 10 EECERN Cc1ccn2ncc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2n1 ZINC000173196951 464209013 /nfs/dbraw/zinc/20/90/13/464209013.db2.gz LWSFQYWIORZNNW-UHFFFAOYSA-N 0 0 337.383 2.143 10 10 EECERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)Cc1ccccc1O)CC2 ZINC000181698853 464521264 /nfs/dbraw/zinc/52/12/64/464521264.db2.gz YUCZEJGHOWGEDF-AWEZNQCLSA-N 0 0 343.431 2.264 10 10 EECERN CO[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000294606161 464550677 /nfs/dbraw/zinc/55/06/77/464550677.db2.gz NYLQOLIJKSUIAD-MSOLQXFVSA-N 0 0 332.444 2.345 10 10 EECERN Cc1nc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000266816199 464832505 /nfs/dbraw/zinc/83/25/05/464832505.db2.gz QGRAUARYNVJDPI-UHFFFAOYSA-N 0 0 329.404 2.318 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1O ZINC000177129656 464938830 /nfs/dbraw/zinc/93/88/30/464938830.db2.gz HOOZBWQBHAEWIX-VXGBXAGGSA-N 0 0 340.851 2.135 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2ccnc3n[nH]nc32)cc1F ZINC000773957096 577375194 /nfs/dbraw/zinc/37/51/94/577375194.db2.gz PYPIXWBULFVUIW-UHFFFAOYSA-N 0 0 342.378 2.268 10 10 EECERN Cn1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000766267225 577516067 /nfs/dbraw/zinc/51/60/67/577516067.db2.gz USRRDBWSRNYCHK-MRXNPFEDSA-N 0 0 344.415 2.017 10 10 EECERN Cc1cc(CCNC(=O)c2cnn(C)c2N)c(C)n1-c1ccccc1 ZINC000759404756 577642215 /nfs/dbraw/zinc/64/22/15/577642215.db2.gz JZYDEYQEUVVHGZ-UHFFFAOYSA-N 0 0 337.427 2.382 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000745593779 577915677 /nfs/dbraw/zinc/91/56/77/577915677.db2.gz WLOCEXRWKJELAU-CALCHBBNSA-N 0 0 347.484 2.313 10 10 EECERN CSC[C@@H]1NC(=O)N([C@H](C)Cc2ccc(N(C)C)cc2C)C1=O ZINC000924941191 681761111 /nfs/dbraw/zinc/76/11/11/681761111.db2.gz MNADWDCJKWAYTR-DOMZBBRYSA-N 0 0 335.473 2.275 10 10 EECERN COC(=O)c1c(CNCc2cncn2C)c2cc(F)ccc2n1C ZINC000894790619 683089192 /nfs/dbraw/zinc/08/91/92/683089192.db2.gz UNSZHISKAVXNCH-UHFFFAOYSA-N 0 0 330.363 2.127 10 10 EECERN C[C@H](NC(=O)N1CCO[C@H](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000914400408 683559630 /nfs/dbraw/zinc/55/96/30/683559630.db2.gz KQOHEHKUSCCDII-CVEARBPZSA-N 0 0 347.459 2.405 10 10 EECERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)c(O)c1O ZINC000182906160 684227122 /nfs/dbraw/zinc/22/71/22/684227122.db2.gz FXOGUKOAMPNOAM-LBPRGKRZSA-N 0 0 338.367 2.478 10 10 EECERN COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(F)c(N(C)C)cc1F ZINC000895864391 684746810 /nfs/dbraw/zinc/74/68/10/684746810.db2.gz NVUFNQHBDJIYCH-WFASDCNBSA-N 0 0 342.386 2.231 10 10 EECERN NC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000895940779 684783318 /nfs/dbraw/zinc/78/33/18/684783318.db2.gz ZSZORCWUFAABBO-CVEARBPZSA-N 0 0 329.444 2.195 10 10 EECERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895949066 684785674 /nfs/dbraw/zinc/78/56/74/684785674.db2.gz HDRUXHIDYVUJEI-DTWKUNHWSA-N 0 0 336.413 2.346 10 10 EECERN O=C(NCCOC[C@H]1CCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000896388804 684962949 /nfs/dbraw/zinc/96/29/49/684962949.db2.gz KEBFEYHRBAZLOE-LLVKDONJSA-N 0 0 337.397 2.238 10 10 EECERN O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000896964542 686014920 /nfs/dbraw/zinc/01/49/20/686014920.db2.gz DJHNUDAWXMHHEZ-SNVBAGLBSA-N 0 0 329.381 2.323 10 10 EECERN CC(C)C[C@@]1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCNC1=O ZINC000864634222 1197856041 /nfs/dbraw/zinc/85/60/41/1197856041.db2.gz PIWRKBASBNAMGU-IBGZPJMESA-N 0 0 331.460 2.263 10 10 EECERN CCN(CC(F)(F)F)C(=O)CSc1ncc(C(=O)OC)s1 ZINC000865369353 1198187508 /nfs/dbraw/zinc/18/75/08/1198187508.db2.gz SFHPPOGTSBVZAO-UHFFFAOYSA-N 0 0 342.364 2.433 10 10 EECERN CC(C)n1ncnc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000865427372 1198212716 /nfs/dbraw/zinc/21/27/16/1198212716.db2.gz SPWYRKSYAKKBNA-UHFFFAOYSA-N 0 0 343.475 2.358 10 10 EECERN COCCn1ncc(C(=O)NCCCSc2nccs2)c1C ZINC000865782733 1198374502 /nfs/dbraw/zinc/37/45/02/1198374502.db2.gz DSDHAOULGZXQHZ-UHFFFAOYSA-N 0 0 340.474 2.207 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cc(=O)[nH]c2c1CCCC2 ZINC001137464972 1248641161 /nfs/dbraw/zinc/64/11/61/1248641161.db2.gz YZGOHBDYKFRXQN-UHFFFAOYSA-N 0 0 328.368 2.050 10 10 EECERN C[C@H](NC(=O)N1CC[C@H](O)C1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000812878816 1200964238 /nfs/dbraw/zinc/96/42/38/1200964238.db2.gz IDAMIIJLPZXHBI-YOEHRIQHSA-N 0 0 347.459 2.139 10 10 EECERN O=C(NCCCCF)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000812876597 1200964705 /nfs/dbraw/zinc/96/47/05/1200964705.db2.gz IFIDULPDMVJEQA-UHFFFAOYSA-N 0 0 327.375 2.211 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)c1cn(CC2CC2)nn1 ZINC000826136956 1201323183 /nfs/dbraw/zinc/32/31/83/1201323183.db2.gz KHXJZZFTOUMXPA-UHFFFAOYSA-N 0 0 326.400 2.203 10 10 EECERN COc1cccc([C@H](C)NCc2nnc(C3CCOCC3)[nH]2)c1O ZINC000866440060 1201518371 /nfs/dbraw/zinc/51/83/71/1201518371.db2.gz LGTVEMBLOLUJKC-NSHDSACASA-N 0 0 332.404 2.264 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)/C=C/COC2CCOCC2)c1 ZINC000866763490 1201600357 /nfs/dbraw/zinc/60/03/57/1201600357.db2.gz DWXQAXCKRRQPRT-OOPCZODUSA-N 0 0 335.400 2.330 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000868109306 1201745543 /nfs/dbraw/zinc/74/55/43/1201745543.db2.gz CYHFUXIXXUUBSJ-DOTOQJQBSA-N 0 0 348.443 2.334 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000868966735 1201914262 /nfs/dbraw/zinc/91/42/62/1201914262.db2.gz XMRIJUZFGFDNOK-KCQAQPDRSA-N 0 0 335.400 2.097 10 10 EECERN COc1ccc(N(C)C[C@H](O)COC[C@@H]2CCCO2)cc1Cl ZINC000131451517 1202044708 /nfs/dbraw/zinc/04/47/08/1202044708.db2.gz KTEYNVODEXPMIR-KBPBESRZSA-N 0 0 329.824 2.341 10 10 EECERN CC(C)O[C@]1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000925743464 1206148973 /nfs/dbraw/zinc/14/89/73/1206148973.db2.gz HRJDKAVDRIBEFZ-IBGZPJMESA-N 0 0 349.475 2.478 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOC1CCOCC1 ZINC000927497599 1206271609 /nfs/dbraw/zinc/27/16/09/1206271609.db2.gz WKPMHFANELYQJR-UHFFFAOYSA-N 0 0 349.475 2.480 10 10 EECERN Cn1ccc([C@H]2CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)n1 ZINC000928192433 1206357642 /nfs/dbraw/zinc/35/76/42/1206357642.db2.gz IKTMGZWEBJDGKN-VSKVDJIOSA-N 0 0 327.384 2.251 10 10 EECERN Cc1cn(C2CCOCC2)nc1C(=O)NCc1c(O)cccc1F ZINC000928710243 1206413757 /nfs/dbraw/zinc/41/37/57/1206413757.db2.gz RBLTVAWIPAYBAX-UHFFFAOYSA-N 0 0 333.363 2.318 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777950643 1206598344 /nfs/dbraw/zinc/59/83/44/1206598344.db2.gz SBUSTWVPWDFFAF-UHFFFAOYSA-N 0 0 348.472 2.146 10 10 EECERN CC(C)Cn1ncc2cc(C(=O)NCc3ccc(O)c(O)c3)cnc21 ZINC000778927976 1208407784 /nfs/dbraw/zinc/40/77/84/1208407784.db2.gz XYNYGIDWSXCPPG-UHFFFAOYSA-N 0 0 340.383 2.429 10 10 EECERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000191760727 1210380038 /nfs/dbraw/zinc/38/00/38/1210380038.db2.gz CEZIYKIIFQICED-UHFFFAOYSA-N 0 0 331.376 2.149 10 10 EECERN Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)O3)c(C)n1-c1ccc(F)cc1 ZINC000801143974 1235130864 /nfs/dbraw/zinc/13/08/64/1235130864.db2.gz WXYNAXFYBSFQQK-CALCHBBNSA-N 0 0 344.386 2.473 10 10 EECERN O=C(c1ccc2n[nH]nc2n1)N(Cc1ccco1)Cc1ccccc1O ZINC001137343253 1250236397 /nfs/dbraw/zinc/23/63/97/1250236397.db2.gz HFYSZNJVPMGWLG-UHFFFAOYSA-N 0 0 349.350 2.494 10 10 EECERN CCOCc1cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)ccc1OC ZINC000850367629 1277202545 /nfs/dbraw/zinc/20/25/45/1277202545.db2.gz AWXUQHWBZFVVMY-XJKSGUPXSA-N 0 0 341.473 2.287 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(N)cc3)C2)cc1 ZINC000851639169 1277696619 /nfs/dbraw/zinc/69/66/19/1277696619.db2.gz CGOSOSHPDYMYHS-MRXNPFEDSA-N 0 0 325.412 2.215 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](OC)C[C@@H]3C)C2)cc1 ZINC000852451116 1292117554 /nfs/dbraw/zinc/11/75/54/1292117554.db2.gz DPRDFXAGDVJXJX-MPGHIAIKSA-N 0 0 347.459 2.483 10 10 EECERN CCOC(=O)[C@]1(F)CN(C(=O)Cc2ccc(N)cc2)CC12CCC2 ZINC000852901227 1292229066 /nfs/dbraw/zinc/22/90/66/1292229066.db2.gz DDRYWJMMGUSNQV-GOSISDBHSA-N 0 0 334.391 2.095 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@](CO)(OC)C2)cc1 ZINC000853457393 1292388299 /nfs/dbraw/zinc/38/82/99/1292388299.db2.gz SWHVTJFZLRZBSW-LJQANCHMSA-N 0 0 349.475 2.216 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC(CCO)CC3)C2)cc1 ZINC000854300866 1292712245 /nfs/dbraw/zinc/71/22/45/1292712245.db2.gz CEVOBBGUQOTZLT-INIZCTEOSA-N 0 0 347.459 2.078 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CC3CCN(OC)CC3)C2)cc1 ZINC000855226752 1293119058 /nfs/dbraw/zinc/11/90/58/1293119058.db2.gz TXZHCPGPQYHQJL-MRXNPFEDSA-N 0 0 347.459 2.054 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)/C=C/c3cncc(O)c3)C2)cc1 ZINC000855227867 1293119841 /nfs/dbraw/zinc/11/98/41/1293119841.db2.gz QQIZLKBOIATSEW-MCFICARUSA-N 0 0 339.395 2.204 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(O)c(OC)c3)C2)cc1 ZINC000855228257 1293120021 /nfs/dbraw/zinc/12/00/21/1293120021.db2.gz YIEMTLKQTWWNEX-AWEZNQCLSA-N 0 0 342.395 2.418 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)C[C@@H]3C)C2)cc1 ZINC000855233764 1293122935 /nfs/dbraw/zinc/12/29/35/1293122935.db2.gz MKSHTDNDCBFTCR-DEYYWGMASA-N 0 0 330.428 2.395 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC000857943268 1293961935 /nfs/dbraw/zinc/96/19/35/1293961935.db2.gz DIKCEXGQYYVZQW-VXGBXAGGSA-N 0 0 329.400 2.238 10 10 EECERN COc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnc1OC ZINC000861414275 1295393435 /nfs/dbraw/zinc/39/34/35/1295393435.db2.gz SILDRMQVJCTRIS-SNVBAGLBSA-N 0 0 347.371 2.263 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2COCCN2C)cc1 ZINC000862973586 1296052992 /nfs/dbraw/zinc/05/29/92/1296052992.db2.gz QOWBTQYNBAJIRH-GOSISDBHSA-N 0 0 327.428 2.155 10 10 EECERN CN(C)c1ccc(CN2C(=O)N[C@@H](C[C@H]3CCCOC3)C2=O)cc1F ZINC000863503190 1296311952 /nfs/dbraw/zinc/31/19/52/1296311952.db2.gz YIDAEUDYAFZXEI-HIFRSBDPSA-N 0 0 349.406 2.129 10 10 EECERN Cc1cc(O)c(CNc2cnn(CC(=O)NC3CC3)c2)c(Cl)c1 ZINC000840888243 1315428099 /nfs/dbraw/zinc/42/80/99/1315428099.db2.gz FLVIQFIWSGCYPA-UHFFFAOYSA-N 0 0 334.807 2.441 10 10 EECERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842200060 1315673615 /nfs/dbraw/zinc/67/36/15/1315673615.db2.gz CMTUSFQRTYVYKR-IRXDYDNUSA-N 0 0 331.460 2.259 10 10 EECERN Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1NS(C)(=O)=O ZINC001152573033 1316691489 /nfs/dbraw/zinc/69/14/89/1316691489.db2.gz IPDXCSQHMNOXQZ-UHFFFAOYSA-N 0 0 346.408 2.228 10 10 EECERN CCc1noc([C@H]2CC[C@@H](NC(=O)NCc3ccccc3O)C2)n1 ZINC001255966476 1318580679 /nfs/dbraw/zinc/58/06/79/1318580679.db2.gz OHDHZJXXGBWOGW-WCQYABFASA-N 0 0 330.388 2.473 10 10 EECERN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001293870466 1328830641 /nfs/dbraw/zinc/83/06/41/1328830641.db2.gz OGNPOERYNWFKFH-HKUYNNGSSA-N 0 0 327.380 2.495 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1cn(Cc2ccccn2)nn1 ZINC001159033365 1319570165 /nfs/dbraw/zinc/57/01/65/1319570165.db2.gz HBYACMIOTGNPKU-UHFFFAOYSA-N 0 0 343.774 2.010 10 10 EECERN Cc1nn(CC(=O)NCc2ccc3cccnc3c2O)c2ncccc12 ZINC001162612285 1320912368 /nfs/dbraw/zinc/91/23/68/1320912368.db2.gz GGHSVRKRPWTNNT-UHFFFAOYSA-N 0 0 347.378 2.310 10 10 EECERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC001299724722 1321992714 /nfs/dbraw/zinc/99/27/14/1321992714.db2.gz HYZOTEYXFIMJPK-UHFFFAOYSA-N 0 0 338.323 2.482 10 10 EECERN CC(C)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001261303716 1322062512 /nfs/dbraw/zinc/06/25/12/1322062512.db2.gz WWUHIFRVCFKFDT-MRXNPFEDSA-N 0 0 331.460 2.216 10 10 EECERN Cc1cn2c(n1)C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)CC2 ZINC001261793300 1322177719 /nfs/dbraw/zinc/17/77/19/1322177719.db2.gz DFFGVBWAZVOBMW-AWEZNQCLSA-N 0 0 330.407 2.275 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCS[C@H](C)C1 ZINC001262256845 1322264919 /nfs/dbraw/zinc/26/49/19/1322264919.db2.gz WKODTSXHMXMAOI-HIFRSBDPSA-N 0 0 349.500 2.078 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)NCC(C)(C)[C@H](C)O)C2)cc1 ZINC001263730647 1322508800 /nfs/dbraw/zinc/50/88/00/1322508800.db2.gz FUWCOAFXPOZCEQ-GJZGRUSLSA-N 0 0 349.475 2.228 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)NCC(C)(C)[C@@H](C)O)C2)cc1 ZINC001263730646 1322509025 /nfs/dbraw/zinc/50/90/25/1322509025.db2.gz FUWCOAFXPOZCEQ-CABCVRRESA-N 0 0 349.475 2.228 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccncc2NC(C)=O)c1 ZINC001294935709 1329765566 /nfs/dbraw/zinc/76/55/66/1329765566.db2.gz AUTLQZPHIYLVJQ-SNVBAGLBSA-N 0 0 329.356 2.245 10 10 EECERN CC/C=C(\C)C(=O)NC[C@H](CC)NC(=O)c1cc(OC)nc(OC)c1 ZINC001297370129 1329965831 /nfs/dbraw/zinc/96/58/31/1329965831.db2.gz LIDHCOGBMLGRBF-BCNIOPEESA-N 0 0 349.431 2.080 10 10 EECERN CC/C=C(/C)C(=O)NC[C@H](CC)NC(=O)c1cc(OC)nc(OC)c1 ZINC001297370132 1329965860 /nfs/dbraw/zinc/96/58/60/1329965860.db2.gz LIDHCOGBMLGRBF-UNJUUPHPSA-N 0 0 349.431 2.080 10 10 EECERN Cc1nc(C(=O)NCc2cccc(O)c2O)nn1-c1ccc(F)cc1 ZINC001303193499 1331347835 /nfs/dbraw/zinc/34/78/35/1331347835.db2.gz NGBHFDFEGSWTTN-UHFFFAOYSA-N 0 0 342.330 2.056 10 10 EECERN Cc1nn(CC2CC2)c(C)c1CC(=O)NCc1cc(O)ccc1O ZINC001303225680 1331350462 /nfs/dbraw/zinc/35/04/62/1331350462.db2.gz MVHMNMRRRBDYCA-UHFFFAOYSA-N 0 0 329.400 2.180 10 10 EECERN C[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)[C@@H]1CC2CCC1CC2 ZINC001328807933 1334526279 /nfs/dbraw/zinc/52/62/79/1334526279.db2.gz OZFASZSAGUPMAJ-CUGJKRCDSA-N 0 0 343.471 2.259 10 10 EECERN COC(=O)c1c(CN2CCc3c[nH]nc3C2)c2cc(F)ccc2n1C ZINC001334348274 1336242353 /nfs/dbraw/zinc/24/23/53/1336242353.db2.gz JDZQEQGKGJQCCO-UHFFFAOYSA-N 0 0 342.374 2.385 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CSc1nncn1C ZINC001351175385 1337792140 /nfs/dbraw/zinc/79/21/40/1337792140.db2.gz AEEGHKGMSANUIA-UHFFFAOYSA-N 0 0 345.472 2.166 10 10 EECERN COc1ccc(CNC(=O)NC[C@H]2OCc3ccccc32)c(O)c1 ZINC001351969849 1337873502 /nfs/dbraw/zinc/87/35/02/1337873502.db2.gz ADUHOYLSLKJVSW-QGZVFWFLSA-N 0 0 328.368 2.472 10 10 EECERN COCC1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000847420746 1338049446 /nfs/dbraw/zinc/04/94/46/1338049446.db2.gz FCKUICVLPRTMHV-UHFFFAOYSA-N 0 0 347.459 2.091 10 10 EECERN COCC1(CNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000847422715 1338052385 /nfs/dbraw/zinc/05/23/85/1338052385.db2.gz GIBSQJQCCYCJEM-UHFFFAOYSA-N 0 0 343.221 2.381 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1c(C)[nH][nH]c1=O ZINC001615925165 1352325692 /nfs/dbraw/zinc/32/56/92/1352325692.db2.gz FKRQLXOMJVSKGJ-CYBMUJFWSA-N 0 0 344.440 2.397 10 10 EECERN CCOC(=O)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001618820846 1352354043 /nfs/dbraw/zinc/35/40/43/1352354043.db2.gz QXIZEDMQLLHCRM-HNNXBMFYSA-N 0 0 343.379 2.103 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001556157522 1342423117 /nfs/dbraw/zinc/42/31/17/1342423117.db2.gz DAVMBEHVVVDHGS-LLVKDONJSA-N 0 0 341.367 2.452 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(F)(F)C1(O)CCCCC1 ZINC001556158226 1342423287 /nfs/dbraw/zinc/42/32/87/1342423287.db2.gz VJVNRYBNMKTOKY-LLVKDONJSA-N 0 0 343.370 2.476 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc(Br)ccc1O ZINC001557084852 1342440320 /nfs/dbraw/zinc/44/03/20/1342440320.db2.gz QMKROTQSAZYDLO-UHFFFAOYSA-N 0 0 338.157 2.496 10 10 EECERN Cc1ccc(C(=O)Nc2ccc3c(c2)CCN(C)C3=O)c(O)c1O ZINC001557393168 1342448057 /nfs/dbraw/zinc/44/80/57/1342448057.db2.gz CADCLFJCCIBOHX-UHFFFAOYSA-N 0 0 326.352 2.287 10 10 EECERN CCn1c(Br)ncc1C(=O)NCc1ccc(O)c(O)c1 ZINC001595596090 1349889957 /nfs/dbraw/zinc/88/99/57/1349889957.db2.gz PYHFFOGYFKHNAR-UHFFFAOYSA-N 0 0 340.177 2.007 10 10 EECERN CC(C)(C)OC(=O)N1CC=C(C(=O)NCc2c(O)cccc2O)CC1 ZINC001597573271 1349928351 /nfs/dbraw/zinc/92/83/51/1349928351.db2.gz BLBRTQLWGUNHMX-UHFFFAOYSA-N 0 0 348.399 2.281 10 10 EECERN C[C@@H](C[S@@](C)=O)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001633541570 1352612101 /nfs/dbraw/zinc/61/21/01/1352612101.db2.gz WJMUBXLDCNSLGB-LFVRLGFBSA-N 0 0 337.489 2.195 10 10 EECERN COc1cccc(CNC(=O)c2cnn(-c3ccccc3)c2N)c1O ZINC001636061589 1352657124 /nfs/dbraw/zinc/65/71/24/1352657124.db2.gz SBKWOMKOWPBFEG-UHFFFAOYSA-N 0 0 338.367 2.099 10 10 EECERN Cc1ccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OCO4)c(O)c1O ZINC001637706480 1352679882 /nfs/dbraw/zinc/67/98/82/1352679882.db2.gz QPHRLZLOPGGLBR-UHFFFAOYSA-N 0 0 327.296 2.264 10 10 EECERN Cc1ccc2ncc(C(=O)NCc3cc(Cl)ccc3O)c(=O)n2c1 ZINC001639965512 1352703424 /nfs/dbraw/zinc/70/34/24/1352703424.db2.gz MNQVVZUEHFDLSD-UHFFFAOYSA-N 0 0 343.770 2.292 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCN(c2ccccc2F)C1 ZINC001641629498 1352723466 /nfs/dbraw/zinc/72/34/66/1352723466.db2.gz LOFYPNYZHRMTOB-CQSZACIVSA-N 0 0 344.386 2.422 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc2c([nH]c1=O)CCCCC2 ZINC001647270180 1353213516 /nfs/dbraw/zinc/21/35/16/1353213516.db2.gz NOBNZEAEISMSIO-UHFFFAOYSA-N 0 0 328.368 2.397 10 10 EECERN Cc1cccc(NCCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001652433277 1354090784 /nfs/dbraw/zinc/09/07/84/1354090784.db2.gz YYIFLYXOBUMKFO-UHFFFAOYSA-N 0 0 326.360 2.394 10 10 EECERN Cc1nc(CNC[C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)co1 ZINC001669485729 1356166424 /nfs/dbraw/zinc/16/64/24/1356166424.db2.gz NUCUMTVEWDKRAX-SNVBAGLBSA-N 0 0 344.375 2.054 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCC3(C2)OCCO3)c1 ZINC001680834402 1357921576 /nfs/dbraw/zinc/92/15/76/1357921576.db2.gz MXRBCNBKSVQKCU-VXGBXAGGSA-N 0 0 336.388 2.057 10 10 EECERN C[C@H](NC(=O)NCc1ccccc1S(C)(=O)=O)c1ccccc1O ZINC001683191836 1358185994 /nfs/dbraw/zinc/18/59/94/1358185994.db2.gz DQARBDPXJTVWJJ-LBPRGKRZSA-N 0 0 348.424 2.356 10 10 EECERN COC(=O)c1ccc(O)c([C@H]2NC3(CC3)C(=O)N2c2ccccc2)c1 ZINC000840830165 783023502 /nfs/dbraw/zinc/02/35/02/783023502.db2.gz MTZMEYUTFOXYTB-INIZCTEOSA-N 0 0 338.363 2.346 10 10 EECERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180814558 775081879 /nfs/dbraw/zinc/08/18/79/775081879.db2.gz BZPPOBKVELSPPT-IOCXFXADSA-N 0 0 329.400 2.209 10 10 EECERN COc1cccc(CNS(=O)(=O)CC2Cc3ccccc3C2)c1O ZINC000809819457 783418120 /nfs/dbraw/zinc/41/81/20/783418120.db2.gz UWAAFEVXCUVQEY-UHFFFAOYSA-N 0 0 347.436 2.235 10 10 EECERN CCOC(=O)C[C@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000816668050 784204575 /nfs/dbraw/zinc/20/45/75/784204575.db2.gz DBDWYOMPAORKQC-MRXNPFEDSA-N 0 0 344.411 2.138 10 10 EECERN O=C(/C=C\[C@H]1CCCO1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819332346 785510810 /nfs/dbraw/zinc/51/08/10/785510810.db2.gz BQZYNTUJHSLOAK-DQOPKJQZSA-N 0 0 348.418 2.138 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(COC)o1 ZINC000819693788 785644169 /nfs/dbraw/zinc/64/41/69/785644169.db2.gz UDLMDGIORBRFBC-UHFFFAOYSA-N 0 0 347.367 2.337 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001146233256 791143680 /nfs/dbraw/zinc/14/36/80/791143680.db2.gz SCSVOGFHYJFRTO-OAHLLOKOSA-N 0 0 348.786 2.446 10 10 EECERN O=C(NC1(CO)CCSCC1)c1cc2cc(O)c(O)cc2s1 ZINC000585122004 786528629 /nfs/dbraw/zinc/52/86/29/786528629.db2.gz KANPFWQBLZCKSV-UHFFFAOYSA-N 0 0 339.438 2.300 10 10 EECERN Cc1cc(CC(=O)N[C@H]2CCCCNC2=O)c(C)n1-c1ccccc1 ZINC000821771997 786881058 /nfs/dbraw/zinc/88/10/58/786881058.db2.gz PDARVHYZCXTIDD-SFHVURJKSA-N 0 0 339.439 2.422 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ncccc3N(C)C)C2)cc1 ZINC000912292328 788090524 /nfs/dbraw/zinc/09/05/24/788090524.db2.gz KYEAGLFDOCFWKZ-AWEZNQCLSA-N 0 0 340.427 2.165 10 10 EECERN Cc1cc(C(=O)N2CCC(CO)(CO)C2)c(C)n1-c1cccc(C)c1 ZINC000912558321 788244103 /nfs/dbraw/zinc/24/41/03/788244103.db2.gz BLFOSWGAGAALGG-UHFFFAOYSA-N 0 0 342.439 2.219 10 10 EECERN COc1ccc(O)c(CNC(=O)Nc2ccn(C3CCOCC3)n2)c1 ZINC000825330834 788575142 /nfs/dbraw/zinc/57/51/42/788575142.db2.gz DMXQHJPXWKLWHE-UHFFFAOYSA-N 0 0 346.387 2.271 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cc(C)cc(=O)[nH]2)cc1 ZINC000846446797 790171708 /nfs/dbraw/zinc/17/17/08/790171708.db2.gz QMXBFJZETAPIAL-UHFFFAOYSA-N 0 0 329.400 2.313 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1 ZINC000913927023 794589552 /nfs/dbraw/zinc/58/95/52/794589552.db2.gz SESBPDWUBDSDCK-MKZZRHPPSA-N 0 0 333.432 2.234 10 10 EECERN Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1c(O)cccc1F ZINC001178413087 799467491 /nfs/dbraw/zinc/46/74/91/799467491.db2.gz NRQNZJXTPIBMTD-UHFFFAOYSA-N 0 0 330.319 2.158 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC=C[C@@H]2CO)cc1 ZINC000922253859 800087647 /nfs/dbraw/zinc/08/76/47/800087647.db2.gz FZVDOMYAHPDFBB-LJQANCHMSA-N 0 0 338.407 2.208 10 10 EECERN Cc1cc(O)c(CNc2ccn(CCN3CC[NH+]=C3[O-])n2)c(Cl)c1 ZINC000922590561 801435683 /nfs/dbraw/zinc/43/56/83/801435683.db2.gz PCSVKIAMLMWZAF-UHFFFAOYSA-N 0 0 349.822 2.188 10 10 EECERN Cc1cc(CNC(=O)NCc2cc(Br)ccc2O)on1 ZINC000805035588 811133644 /nfs/dbraw/zinc/13/36/44/811133644.db2.gz MMGZNJZEHDDZKH-UHFFFAOYSA-N 0 0 340.177 2.451 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C/c2cn(C(C)C)nn2)c2ccccc21 ZINC000806572858 811926075 /nfs/dbraw/zinc/92/60/75/811926075.db2.gz ANLXQGCXOIWHET-OQLLNIDSSA-N 0 0 340.383 2.309 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000808495656 812665872 /nfs/dbraw/zinc/66/58/72/812665872.db2.gz UPLSOCORGFAAET-UHFFFAOYSA-N 0 0 325.320 2.254 10 10 EECERN Nc1cc(Br)ccc1C(=O)NCc1ccc(O)c(O)c1 ZINC001566359135 1125597168 /nfs/dbraw/zinc/59/71/68/1125597168.db2.gz VAIQFAMTPMRASV-UHFFFAOYSA-N 0 0 337.173 2.373 10 10 EECERN O=C(NCc1ccccc1O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001566374195 1125598274 /nfs/dbraw/zinc/59/82/74/1125598274.db2.gz YCYXOKDQFVYFQQ-LBPRGKRZSA-N 0 0 346.333 2.340 10 10 EECERN CCOc1ccc(N2CCN(C(=O)CCc3cc(C)n[nH]3)CC2)cc1 ZINC001566562162 1125736782 /nfs/dbraw/zinc/73/67/82/1125736782.db2.gz DRLVAJCLCJPODT-UHFFFAOYSA-N 0 0 342.443 2.398 10 10 EECERN COc1ccccc1C(=O)C(=O)NCc1ccc2cccnc2c1O ZINC001451955521 1098057648 /nfs/dbraw/zinc/05/76/48/1098057648.db2.gz QJIQKVUTVIMROY-UHFFFAOYSA-N 0 0 336.347 2.448 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1nc(-c2cccs2)c[nH]1 ZINC001448164339 1104125472 /nfs/dbraw/zinc/12/54/72/1104125472.db2.gz PMHMHCOIIYSEOM-UHFFFAOYSA-N 0 0 329.381 2.408 10 10 EECERN C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001453264447 1106073576 /nfs/dbraw/zinc/07/35/76/1106073576.db2.gz DWFBSSJIINZCPC-ZVTBTPLYSA-N 0 0 338.363 2.480 10 10 EECERN Cc1ccc(C2=NO[C@H](C(=O)NCc3cccc(O)c3O)C2)cc1 ZINC001455318019 1108425690 /nfs/dbraw/zinc/42/56/90/1108425690.db2.gz YBOXCASTGLNHIC-INIZCTEOSA-N 0 0 326.352 2.216 10 10 EECERN CC(C)OC(=O)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)[nH]n1 ZINC001456332576 1109146458 /nfs/dbraw/zinc/14/64/58/1109146458.db2.gz LNTAJOSRPYWXSB-XQRVVYSFSA-N 0 0 331.328 2.038 10 10 EECERN COC(=O)c1cc(C)cc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001465981697 1110427628 /nfs/dbraw/zinc/42/76/28/1110427628.db2.gz RVPBUERHHJDSRZ-UHFFFAOYSA-N 0 0 329.352 2.165 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)[C@H]2CCOC2)cc1 ZINC001466519989 1110437547 /nfs/dbraw/zinc/43/75/47/1110437547.db2.gz ZGHRTNKDAKPNHL-WMZOPIPTSA-N 0 0 328.412 2.221 10 10 EECERN COc1ccc(CNC(=O)Cc2cccc3nsnc32)c(O)c1 ZINC001467471350 1110456939 /nfs/dbraw/zinc/45/69/39/1110456939.db2.gz XLWZWWGPQZCCIJ-UHFFFAOYSA-N 0 0 329.381 2.264 10 10 EECERN O=C(COc1ccc(CO)cc1)NCc1ccc2cccnc2c1O ZINC001469247550 1110487676 /nfs/dbraw/zinc/48/76/76/1110487676.db2.gz BSMCNTFNANMJMD-UHFFFAOYSA-N 0 0 338.363 2.128 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001471096129 1110517283 /nfs/dbraw/zinc/51/72/83/1110517283.db2.gz NIUYWYYMQMSHIJ-LLVKDONJSA-N 0 0 344.342 2.365 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1c2ccccc2CC[C@H]1O ZINC001472068682 1110541214 /nfs/dbraw/zinc/54/12/14/1110541214.db2.gz MERSYMZMMWVSQJ-JYHFIHSLSA-N 0 0 325.364 2.276 10 10 EECERN C[C@H](NC(=O)c1cn(-c2cccnc2)nn1)c1ccc(N(C)C)cc1 ZINC001523639086 1119821613 /nfs/dbraw/zinc/82/16/13/1119821613.db2.gz JQIQJFYOFBCKTG-ZDUSSCGKSA-N 0 0 336.399 2.219 10 10 EECERN CCCCC(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001526395621 1120512460 /nfs/dbraw/zinc/51/24/60/1120512460.db2.gz UXJCTVXXEVDEEQ-LLVKDONJSA-N 0 0 333.392 2.274 10 10 EECERN Cn1cc(C(=O)N2CCCc3cc[nH]c(=O)c32)c(-c2cccnc2)n1 ZINC001532092372 1122641666 /nfs/dbraw/zinc/64/16/66/1122641666.db2.gz MXYIQUDDDTWPNA-UHFFFAOYSA-N 0 0 335.367 2.176 10 10 EECERN CC(=O)Nc1cnccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001540440396 1124082926 /nfs/dbraw/zinc/08/29/26/1124082926.db2.gz GKEMSBKDZBBYLE-UHFFFAOYSA-N 0 0 326.400 2.378 10 10 EECERN Cc1cccc(C)c1NC(=O)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001540661871 1124089542 /nfs/dbraw/zinc/08/95/42/1124089542.db2.gz PQGBZUMOMLKVAH-UHFFFAOYSA-N 0 0 328.368 2.012 10 10 EECERN CN1CCCc2cc(CNC(=O)Cc3ccc(O)c(O)c3)ccc21 ZINC001542390100 1124112934 /nfs/dbraw/zinc/11/29/34/1124112934.db2.gz ZJFRJLAQXRIPGB-UHFFFAOYSA-N 0 0 326.396 2.339 10 10 EECERN COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1NC(C)=O ZINC001543043392 1124119551 /nfs/dbraw/zinc/11/95/51/1124119551.db2.gz FBECQOHXOGZYLA-UHFFFAOYSA-N 0 0 330.340 2.246 10 10 EECERN C[C@H]1CC(=O)Nc2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2N1 ZINC001545639653 1124200138 /nfs/dbraw/zinc/20/01/38/1124200138.db2.gz YAYRKYBPVDNIBX-JTQLQIEISA-N 0 0 341.367 2.170 10 10 EECERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccccc1O ZINC000088756298 529749660 /nfs/dbraw/zinc/74/96/60/529749660.db2.gz CPLGKZNDHLFQBA-ZDUSSCGKSA-N 0 0 329.404 2.223 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(n3cncn3)CC2)c1[O-] ZINC000092647771 237038103 /nfs/dbraw/zinc/03/81/03/237038103.db2.gz VFWOZULCDQZVMT-UHFFFAOYSA-N 0 0 337.767 2.382 10 10 EECERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000026401297 463161261 /nfs/dbraw/zinc/16/12/61/463161261.db2.gz UGKHVSJRNMVZRM-QAPCUYQASA-N 0 0 347.459 2.232 10 10 EECERN CC(=O)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N ZINC000288816049 464059561 /nfs/dbraw/zinc/05/95/61/464059561.db2.gz HTYICNYIPHFXFM-UHFFFAOYSA-N 0 0 332.429 2.207 10 10 EECERN CCOCc1nc([C@H](C)NCc2cc(OC)c(OC)cc2O)no1 ZINC000291031098 464142331 /nfs/dbraw/zinc/14/23/31/464142331.db2.gz YMCXDPDRQDULMW-JTQLQIEISA-N 0 0 337.376 2.180 10 10 EECERN O=C(/C=C/c1ccncn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000182044863 464559990 /nfs/dbraw/zinc/55/99/90/464559990.db2.gz IUDQEGJFMTUYIB-IWAYRVGRSA-N 0 0 339.395 2.403 10 10 EECERN C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000294638755 464561614 /nfs/dbraw/zinc/56/16/14/464561614.db2.gz KDZJXFHNNYWWAN-WCQYABFASA-N 0 0 328.815 2.480 10 10 EECERN C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000285653431 464645264 /nfs/dbraw/zinc/64/52/64/464645264.db2.gz HBWZFEKTSILSGX-LBPRGKRZSA-N 0 0 335.423 2.203 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(OCC2CC2)cn1 ZINC000285850618 464718293 /nfs/dbraw/zinc/71/82/93/464718293.db2.gz QBBOLLLSHIEUPV-NSHDSACASA-N 0 0 343.383 2.038 10 10 EECERN COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000191762692 464827221 /nfs/dbraw/zinc/82/72/21/464827221.db2.gz CQSKLIWITHEBIR-MRXNPFEDSA-N 0 0 344.386 2.431 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(c2ccccn2)CC1 ZINC000184233074 464955420 /nfs/dbraw/zinc/95/54/20/464955420.db2.gz YRSLKWQNHVOWGR-SOFGYWHQSA-N 0 0 339.395 2.245 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000363245296 466305556 /nfs/dbraw/zinc/30/55/56/466305556.db2.gz FMMFYEAOXDXQQR-ALOPSCKCSA-N 0 0 344.455 2.343 10 10 EECERN CN1CC[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC000365790383 466940432 /nfs/dbraw/zinc/94/04/32/466940432.db2.gz SRIQLRWBIBFZOB-HOCLYGCPSA-N 0 0 330.359 2.412 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-n3cncn3)cc2)c1 ZINC000728984736 576569645 /nfs/dbraw/zinc/56/96/45/576569645.db2.gz SVMDRIULDIEIAS-LBPRGKRZSA-N 0 0 338.367 2.473 10 10 EECERN COCc1nc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)co1 ZINC000775820771 577446694 /nfs/dbraw/zinc/44/66/94/577446694.db2.gz USRFNBIFGPPIEJ-ZDUSSCGKSA-N 0 0 345.399 2.149 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCC[C@H](C)[S@@](C)=O)cc1 ZINC000765677600 577504910 /nfs/dbraw/zinc/50/49/10/577504910.db2.gz FFOGPQLGZFFCGJ-LFVRLGFBSA-N 0 0 339.505 2.489 10 10 EECERN COc1ccc2c(c1)CCCCN2CCn1nc2ccccn2c1=O ZINC000766267783 577516107 /nfs/dbraw/zinc/51/61/07/577516107.db2.gz CSIOMUSMUOHPBK-UHFFFAOYSA-N 0 0 338.411 2.348 10 10 EECERN C[C@@H]1COCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000768302159 577553453 /nfs/dbraw/zinc/55/34/53/577553453.db2.gz JWORODAQVYNDPH-MWLCHTKSSA-N 0 0 328.206 2.444 10 10 EECERN Oc1cc2c(cc1CN1CCO[C@@H](c3ccsc3)C1)[C@H](O)CO2 ZINC000768462745 577556292 /nfs/dbraw/zinc/55/62/92/577556292.db2.gz CWIMHYKAWQCNMJ-NVXWUHKLSA-N 0 0 333.409 2.453 10 10 EECERN COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1cccc(O)c1 ZINC000759867250 577652612 /nfs/dbraw/zinc/65/26/12/577652612.db2.gz DIWVWKOVWPPWBP-MRXNPFEDSA-N 0 0 347.342 2.443 10 10 EECERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC[C@H]1CCCO1 ZINC000760990488 577673701 /nfs/dbraw/zinc/67/37/01/577673701.db2.gz PMDXOQRVAOUJKT-CYBMUJFWSA-N 0 0 338.791 2.379 10 10 EECERN CCN(C[C@H](O)COC[C@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000747682172 577948252 /nfs/dbraw/zinc/94/82/52/577948252.db2.gz RXEYWOPDLOHBFD-JKSUJKDBSA-N 0 0 339.432 2.087 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[S@@](=O)CC ZINC000741422908 578119590 /nfs/dbraw/zinc/11/95/90/578119590.db2.gz NOGCEFIXWWTIBN-QFIPXVFZSA-N 0 0 325.478 2.053 10 10 EECERN CCOc1cccnc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000175890482 676168810 /nfs/dbraw/zinc/16/88/10/676168810.db2.gz ZOGLCNKXPNTFOI-UHFFFAOYSA-N 0 0 341.411 2.451 10 10 EECERN C[C@@H](CCNC(=O)NCc1ccc2c(c1)CCCN2C)[S@](C)=O ZINC000166698714 682537973 /nfs/dbraw/zinc/53/79/73/682537973.db2.gz IMTMPPUWVLHEHE-ZAMGYDSWSA-N 0 0 337.489 2.025 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)Cc1c(C)ccnc1N ZINC000895059324 683581684 /nfs/dbraw/zinc/58/16/84/683581684.db2.gz QVWVIYVZEVDORP-UHFFFAOYSA-N 0 0 329.400 2.243 10 10 EECERN COC(=O)c1c(CNC[C@H]2CC(C)=NO2)c2cc(F)ccc2n1C ZINC000895300040 684465471 /nfs/dbraw/zinc/46/54/71/684465471.db2.gz RQZODPOXEMSZST-GFCCVEGCSA-N 0 0 333.363 2.358 10 10 EECERN NC(=O)[C@@H]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000896422776 684978811 /nfs/dbraw/zinc/97/88/11/684978811.db2.gz YAAAKYAIQRMTON-KGLIPLIRSA-N 0 0 342.395 2.416 10 10 EECERN C[C@@](O)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F ZINC000897250969 686321641 /nfs/dbraw/zinc/32/16/41/686321641.db2.gz UAMFETKSPRWSGS-GFCCVEGCSA-N 0 0 335.303 2.356 10 10 EECERN COC(=O)[C@H](CC(F)F)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897254648 686336245 /nfs/dbraw/zinc/33/62/45/686336245.db2.gz USZPFLZAIXSQBI-ZETCQYMHSA-N 0 0 345.323 2.239 10 10 EECERN COC[C@@H](C)OC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000866943795 689091259 /nfs/dbraw/zinc/09/12/59/689091259.db2.gz MQKMGWPPXOZRAR-GFCCVEGCSA-N 0 0 326.368 2.128 10 10 EECERN C[C@@H]1OCC[C@@]12CN(C(=O)c1cc3cc(O)c(O)cc3s1)CCO2 ZINC000897612601 691685952 /nfs/dbraw/zinc/68/59/52/691685952.db2.gz BUSCBOVCAABJGH-DYZYQPBXSA-N 0 0 349.408 2.333 10 10 EECERN O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1c2nonc2ccc1Cl ZINC001271356679 1186159982 /nfs/dbraw/zinc/15/99/82/1186159982.db2.gz PLKVINYKUPZMQU-QMMMGPOBSA-N 0 0 343.792 2.030 10 10 EECERN [O-]c1c(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)ccc(F)c1F ZINC000703259895 1196401860 /nfs/dbraw/zinc/40/18/60/1196401860.db2.gz PYLNFBVENVRSFQ-LJQANCHMSA-N 0 0 348.393 2.397 10 10 EECERN COc1ccc(N2CCN(C(=O)c3nc([C@@H]4C[C@@H]4C)no3)CC2)cc1 ZINC000865892829 1198416730 /nfs/dbraw/zinc/41/67/30/1198416730.db2.gz LBJQNPHDKIZNAD-SWLSCSKDSA-N 0 0 342.399 2.164 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1COCCOC1 ZINC000813819019 1199178216 /nfs/dbraw/zinc/17/82/16/1199178216.db2.gz SFUHKPNYNLTOJF-UHFFFAOYSA-N 0 0 347.459 2.234 10 10 EECERN COc1ccc(N(CCC(C)C)CC2CN(S(C)(=O)=O)C2)cc1 ZINC000930290103 1199298215 /nfs/dbraw/zinc/29/82/15/1199298215.db2.gz XEFOLMPZOZQCEJ-UHFFFAOYSA-N 0 0 340.489 2.439 10 10 EECERN O=C(COC(=O)c1cccc2c1CC(=O)CC2)c1ccc(O)c(O)c1 ZINC000811427301 1200037908 /nfs/dbraw/zinc/03/79/08/1200037908.db2.gz OYAKGTGNJXQIRP-UHFFFAOYSA-N 0 0 340.331 2.195 10 10 EECERN CN(Cc1nsc(N(C)C)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000126957146 1200303163 /nfs/dbraw/zinc/30/31/63/1200303163.db2.gz WRCOOEXYMSTUDE-UHFFFAOYSA-N 0 0 347.488 2.073 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000811951396 1200422674 /nfs/dbraw/zinc/42/26/74/1200422674.db2.gz DTBHSVOKOGAQGC-WDEREUQCSA-N 0 0 330.388 2.042 10 10 EECERN O=C(CCc1ncccn1)NCc1cc(Br)ccc1O ZINC000812574664 1200792200 /nfs/dbraw/zinc/79/22/00/1200792200.db2.gz XEYJNWGAMWDRLN-UHFFFAOYSA-N 0 0 336.189 2.194 10 10 EECERN O=C(NCCCCF)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000812927517 1201001390 /nfs/dbraw/zinc/00/13/90/1201001390.db2.gz QISWATZDPHLTRV-UHFFFAOYSA-N 0 0 341.402 2.336 10 10 EECERN COc1ccc(N2CCN(c3ncnc(C)c3OC)CC2)c(OC)c1 ZINC000866138639 1201443901 /nfs/dbraw/zinc/44/39/01/1201443901.db2.gz MZBAZLDUJOSXGT-UHFFFAOYSA-N 0 0 344.415 2.137 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]3CCNC(=O)[C@H]32)c1O ZINC000880525638 1201512853 /nfs/dbraw/zinc/51/28/53/1201512853.db2.gz GWEDMKASIPPTQM-NHYWBVRUSA-N 0 0 336.819 2.349 10 10 EECERN COc1cccc([C@@H](C)NCc2nnc(C3CCOCC3)[nH]2)c1O ZINC000866440059 1201518335 /nfs/dbraw/zinc/51/83/35/1201518335.db2.gz LGTVEMBLOLUJKC-LLVKDONJSA-N 0 0 332.404 2.264 10 10 EECERN Cc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000866558991 1201548442 /nfs/dbraw/zinc/54/84/42/1201548442.db2.gz AOHIRYQMCOUAOK-UHFFFAOYSA-N 0 0 346.456 2.204 10 10 EECERN C[C@@H]1CCCc2nc(S(=O)(=O)N3Cc4cccc(O)c4C3)cn21 ZINC000867691509 1201660121 /nfs/dbraw/zinc/66/01/21/1201660121.db2.gz YPUYLAPUGMLJRG-LLVKDONJSA-N 0 0 333.413 2.191 10 10 EECERN C[C@@H](NS(=O)(=O)c1cnn(C)c1C(F)(F)F)c1ccccc1O ZINC000867834788 1201690765 /nfs/dbraw/zinc/69/07/65/1201690765.db2.gz NLNSAXPGZBFZSJ-MRVPVSSYSA-N 0 0 349.334 2.184 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N=S(C)(C)=O)cc1 ZINC000868953750 1201911374 /nfs/dbraw/zinc/91/13/74/1201911374.db2.gz FDWRORJZUFMAHY-UHFFFAOYSA-N 0 0 347.440 2.078 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)cc1 ZINC000869228499 1201969311 /nfs/dbraw/zinc/96/93/11/1201969311.db2.gz KAAYRUWFWLQBJA-YJLNNSPDSA-N 0 0 330.428 2.349 10 10 EECERN C[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001720093219 1202346180 /nfs/dbraw/zinc/34/61/80/1202346180.db2.gz CHAUPQHNEWOEAY-YPMHNXCESA-N 0 0 345.403 2.131 10 10 EECERN CC1(C)CO[C@@H](CCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925132182 1206073451 /nfs/dbraw/zinc/07/34/51/1206073451.db2.gz KYDOROOBZQOKOH-AWEZNQCLSA-N 0 0 332.400 2.362 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC000926621813 1206232062 /nfs/dbraw/zinc/23/20/62/1206232062.db2.gz RISGBJUBUUDUOU-COMQUAJESA-N 0 0 332.400 2.352 10 10 EECERN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC000928706063 1206413599 /nfs/dbraw/zinc/41/35/99/1206413599.db2.gz OKQCTDTTYWFZDX-JTQLQIEISA-N 0 0 326.368 2.308 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC(n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000098056568 1216576173 /nfs/dbraw/zinc/57/61/73/1216576173.db2.gz WBKKAFSYZZJEKH-HYXAFXHYSA-N 0 0 328.328 2.039 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)c1 ZINC000903346581 1240284175 /nfs/dbraw/zinc/28/41/75/1240284175.db2.gz HZEDPKJALVPQDC-CYBMUJFWSA-N 0 0 349.427 2.151 10 10 EECERN C[C@H]([NH2+][C@H]1CCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000850480962 1277238652 /nfs/dbraw/zinc/23/86/52/1277238652.db2.gz GAQPPCAMKMHPKB-WKEGUHRASA-N 0 0 333.613 2.347 10 10 EECERN C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000850519186 1277257947 /nfs/dbraw/zinc/25/79/47/1277257947.db2.gz LQODWUTWFRBHHB-QMMMGPOBSA-N 0 0 329.315 2.159 10 10 EECERN CCc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)[nH]n1 ZINC000852130099 1292003127 /nfs/dbraw/zinc/00/31/27/1292003127.db2.gz JOJRHUNXIMERPG-AWEZNQCLSA-N 0 0 343.431 2.059 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3nc(C)no3)C2)cc1 ZINC000852190952 1292033579 /nfs/dbraw/zinc/03/35/79/1292033579.db2.gz ISGOXGDYMPQVMR-AAEUAGOBSA-N 0 0 345.403 2.026 10 10 EECERN COCC[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852380862 1292102234 /nfs/dbraw/zinc/10/22/34/1292102234.db2.gz SGKXUBOVUMMXDW-LSDHHAIUSA-N 0 0 335.448 2.246 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H](C)O[C@H]3C)C2)cc1 ZINC000852381802 1292102283 /nfs/dbraw/zinc/10/22/83/1292102283.db2.gz DIXYXBZABBOWCA-VGWMRTNUSA-N 0 0 347.459 2.387 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)C[C@H]3CCCO3)C2)cc1 ZINC000852451095 1292117464 /nfs/dbraw/zinc/11/74/64/1292117464.db2.gz DFTJVTPWLXZVGL-RHSMWYFYSA-N 0 0 333.432 2.094 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC000853748356 1292444591 /nfs/dbraw/zinc/44/45/91/1292444591.db2.gz CEBULUMCWDZNOR-UHFFFAOYSA-N 0 0 342.443 2.140 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000853934261 1292537310 /nfs/dbraw/zinc/53/73/10/1292537310.db2.gz RNECSDVHUBLIDE-BDSSXFGHSA-N 0 0 332.356 2.254 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC[C@@H](C)O3)C2)cc1 ZINC000854126714 1292634432 /nfs/dbraw/zinc/63/44/32/1292634432.db2.gz AGYHWCQAZFFAEM-JKIFEVAISA-N 0 0 333.432 2.141 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H](COC)OC ZINC000854292338 1292705833 /nfs/dbraw/zinc/70/58/33/1292705833.db2.gz DNXBYNKDJFMXOH-KRWDZBQOSA-N 0 0 337.464 2.336 10 10 EECERN CC[C@@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(=O)NC ZINC000854893675 1292982635 /nfs/dbraw/zinc/98/26/35/1292982635.db2.gz BSJOXNIAPGJWHZ-QGZVFWFLSA-N 0 0 327.428 2.277 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C3=C(C)OCCS3)C2)cc1 ZINC000855226585 1293118504 /nfs/dbraw/zinc/11/85/04/1293118504.db2.gz QVCADGVMEXOCCG-ZDUSSCGKSA-N 0 0 334.441 2.385 10 10 EECERN CC1(C)CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)O1 ZINC000856213110 1293447246 /nfs/dbraw/zinc/44/72/46/1293447246.db2.gz BUODJZNVIDITQB-QGZVFWFLSA-N 0 0 332.444 2.222 10 10 EECERN CCn1cc(-c2nn(C)cc2C(=O)N2CCc3nc(F)ccc32)cn1 ZINC000857893430 1293944577 /nfs/dbraw/zinc/94/45/77/1293944577.db2.gz DBRHDWWYMXMIQB-UHFFFAOYSA-N 0 0 340.362 2.041 10 10 EECERN CC[C@@H]([NH2+]CCC(=O)NCCC(=O)OC)c1cc(Cl)ccc1O ZINC000858541258 1294148363 /nfs/dbraw/zinc/14/83/63/1294148363.db2.gz IGEOGWQTTGVOQD-CYBMUJFWSA-N 0 0 342.823 2.156 10 10 EECERN C[C@H](NS(=O)(=O)[C@H]1COC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000859114729 1294323291 /nfs/dbraw/zinc/32/32/91/1294323291.db2.gz LGOVQCSSCUFERU-SWLSCSKDSA-N 0 0 326.462 2.301 10 10 EECERN COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000859649025 1294569870 /nfs/dbraw/zinc/56/98/70/1294569870.db2.gz DNMFNTNCYNASOM-OTYXRUKQSA-N 0 0 341.791 2.011 10 10 EECERN O=C(Cc1cc(C(F)(F)F)ccn1)NCCc1ccc(O)c(O)c1 ZINC000860235974 1294884200 /nfs/dbraw/zinc/88/42/00/1294884200.db2.gz BPTJRJZWZMXJKJ-UHFFFAOYSA-N 0 0 340.301 2.413 10 10 EECERN C[C@H](C(=O)NCc1ccc2cccnc2c1O)N(C)CC(F)(F)F ZINC000862026666 1295660631 /nfs/dbraw/zinc/66/06/31/1295660631.db2.gz WMDPYIFNJWNTCF-SNVBAGLBSA-N 0 0 341.333 2.439 10 10 EECERN O=C(NCC1(OCCO)CCC(F)(F)CC1)C1=CC(=O)CS1 ZINC000862743942 1295948966 /nfs/dbraw/zinc/94/89/66/1295948966.db2.gz YPIXPLKYIWCMCF-UHFFFAOYSA-N 0 0 335.372 2.141 10 10 EECERN Cc1cc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000862821540 1295975515 /nfs/dbraw/zinc/97/55/15/1295975515.db2.gz RLSODEXQHGRTPC-SHTZXODSSA-N 0 0 325.412 2.396 10 10 EECERN CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000927053695 1296999798 /nfs/dbraw/zinc/99/97/98/1296999798.db2.gz KRQDWMHVPKBFNK-ZDUSSCGKSA-N 0 0 347.415 2.427 10 10 EECERN CC[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000797074583 1304638199 /nfs/dbraw/zinc/63/81/99/1304638199.db2.gz OWRAISPQBYSBOC-ZBFHGGJFSA-N 0 0 336.407 2.298 10 10 EECERN O=C(Cc1ccc(F)cn1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000798163460 1304933087 /nfs/dbraw/zinc/93/30/87/1304933087.db2.gz QUONKLMATAAFCL-UHFFFAOYSA-N 0 0 347.365 2.055 10 10 EECERN COCc1nocc1C(=O)NCc1cc(Br)ccc1O ZINC001117711342 1306152078 /nfs/dbraw/zinc/15/20/78/1306152078.db2.gz WWRWYGFBJDXVSE-UHFFFAOYSA-N 0 0 341.161 2.219 10 10 EECERN C[C@H](O)[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000840975829 1315449489 /nfs/dbraw/zinc/44/94/89/1315449489.db2.gz ASNVLQKPCSKEGI-KBXCAEBGSA-N 0 0 349.431 2.167 10 10 EECERN Cc1cc(Br)c(O)c(CN2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000840980347 1315451219 /nfs/dbraw/zinc/45/12/19/1315451219.db2.gz XCYJJUJPIGWBAX-MFKMUULPSA-N 0 0 330.222 2.045 10 10 EECERN Nc1ccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000841109058 1315477648 /nfs/dbraw/zinc/47/76/48/1315477648.db2.gz JAGGHAPZYKVLKZ-INIZCTEOSA-N 0 0 331.416 2.158 10 10 EECERN COC(=O)c1ccnc(C(=O)NCCCSc2nccs2)c1 ZINC000841392800 1315545420 /nfs/dbraw/zinc/54/54/20/1315545420.db2.gz AUHVJWUJPZFRRO-UHFFFAOYSA-N 0 0 337.426 2.237 10 10 EECERN CCS(=O)(=O)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001142358625 1315581849 /nfs/dbraw/zinc/58/18/49/1315581849.db2.gz PTYXTFSDNSKELI-UHFFFAOYSA-N 0 0 349.408 2.214 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(CN2CCOCC2)c1 ZINC001142504209 1315641149 /nfs/dbraw/zinc/64/11/49/1315641149.db2.gz UKDQGGOJTREIOQ-UHFFFAOYSA-N 0 0 342.395 2.111 10 10 EECERN Nc1c2cccnc2sc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001150488626 1316278233 /nfs/dbraw/zinc/27/82/33/1316278233.db2.gz TTXSICCZHHYKQF-UHFFFAOYSA-N 0 0 329.381 2.262 10 10 EECERN CCn1cc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC001151892770 1316603875 /nfs/dbraw/zinc/60/38/75/1316603875.db2.gz ZYQBLHSHGNMRBQ-NSHDSACASA-N 0 0 325.372 2.490 10 10 EECERN C=C/C=C/CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001153847360 1316898877 /nfs/dbraw/zinc/89/88/77/1316898877.db2.gz ZNSOMBSWPVAXAU-VOTSOKGWSA-N 0 0 346.427 2.493 10 10 EECERN Cc1nnc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)[nH]1 ZINC001294670889 1329115952 /nfs/dbraw/zinc/11/59/52/1329115952.db2.gz DQLULNRUWZPYGM-UHFFFAOYSA-N 0 0 326.356 2.183 10 10 EECERN Cc1cc(C(F)(F)F)nc(C(=O)NCc2ccc(O)c(O)c2)n1 ZINC001294869890 1329175651 /nfs/dbraw/zinc/17/56/51/1329175651.db2.gz PJXRSKPONAVHOJ-UHFFFAOYSA-N 0 0 327.262 2.145 10 10 EECERN CCCC[C@@H](CNC(C)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001286091966 1327286194 /nfs/dbraw/zinc/28/61/94/1327286194.db2.gz CUCUZWPCTKRVPG-AWEZNQCLSA-N 0 0 333.392 2.274 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn3cc(C)cnc23)c1 ZINC001294935991 1329765529 /nfs/dbraw/zinc/76/55/29/1329765529.db2.gz BWGJJZSSDLCLFG-LLVKDONJSA-N 0 0 326.356 2.243 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1=CCCCO1 ZINC001295590668 1329824210 /nfs/dbraw/zinc/82/42/10/1329824210.db2.gz NLETYLKNXOMXHO-UHFFFAOYSA-N 0 0 339.775 2.242 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2nsnc21 ZINC001296246381 1329877289 /nfs/dbraw/zinc/87/72/89/1329877289.db2.gz LWJQZZAYERWYQP-VIFPVBQESA-N 0 0 329.381 2.464 10 10 EECERN COCCNc1nc(CC(=O)N[C@@H](C)c2ccccc2O)cs1 ZINC001302538365 1331328778 /nfs/dbraw/zinc/32/87/78/1331328778.db2.gz OXPSACTYRNINET-NSHDSACASA-N 0 0 335.429 2.327 10 10 EECERN C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1[N+](=O)[O-] ZINC001304194308 1331381491 /nfs/dbraw/zinc/38/14/91/1331381491.db2.gz VYWRCIDPUBBSNQ-LLVKDONJSA-N 0 0 330.340 2.468 10 10 EECERN CCOc1ccc(N2CCN(C(=O)/C=C/c3cnccn3)CC2)cc1 ZINC001319624498 1332730521 /nfs/dbraw/zinc/73/05/21/1332730521.db2.gz MKIIFPQTYUAMPX-FPYGCLRLSA-N 0 0 338.411 2.237 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3ncc(C)cc3O)CC2)cc1 ZINC001320469034 1332891619 /nfs/dbraw/zinc/89/16/19/1332891619.db2.gz BOVPVXSAHUBELM-UHFFFAOYSA-N 0 0 341.411 2.457 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@@H](C)[C@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC001326284624 1334059529 /nfs/dbraw/zinc/05/95/29/1334059529.db2.gz WWKSDURMQPWNPJ-HHQZKXIDSA-N 0 0 348.355 2.026 10 10 EECERN O=C(C(=O)N1CCCC[C@H]1C1CCC1)N1Cc2cccc(O)c2C1 ZINC001330498275 1334858073 /nfs/dbraw/zinc/85/80/73/1334858073.db2.gz ZCFPOISIJJMOBI-INIZCTEOSA-N 0 0 328.412 2.416 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC001331374415 1335004596 /nfs/dbraw/zinc/00/45/96/1335004596.db2.gz LALAJPAELLOBDP-NSHDSACASA-N 0 0 345.226 2.051 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@]23C[C@@H]2CCCC3)cc1F ZINC001340936666 1337267851 /nfs/dbraw/zinc/26/78/51/1337267851.db2.gz RDGXFWFCQSGSHX-IFXJQAMLSA-N 0 0 347.434 2.204 10 10 EECERN CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCc2ccccc21 ZINC001351817645 1337853456 /nfs/dbraw/zinc/85/34/56/1337853456.db2.gz WQUOQUDXHQRVBG-KRWDZBQOSA-N 0 0 336.391 2.380 10 10 EECERN C[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cncs1 ZINC001354674351 1338579090 /nfs/dbraw/zinc/57/90/90/1338579090.db2.gz HSXFMSDTSZNMKX-VXGBXAGGSA-N 0 0 346.456 2.264 10 10 EECERN CC(C)CC(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001358227543 1339035697 /nfs/dbraw/zinc/03/56/97/1339035697.db2.gz ZLPRCQKVEJMCDJ-LLVKDONJSA-N 0 0 333.392 2.130 10 10 EECERN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1CC1(O)CC1 ZINC001554174988 1342397457 /nfs/dbraw/zinc/39/74/57/1342397457.db2.gz OEBKQFXFZAMYQJ-UHFFFAOYSA-N 0 0 339.399 2.140 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1nc(-c2ccccc2)no1 ZINC001567426615 1342758478 /nfs/dbraw/zinc/75/84/78/1342758478.db2.gz KICHRSCLUXFEHW-UHFFFAOYSA-N 0 0 325.324 2.007 10 10 EECERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001584521931 1348739186 /nfs/dbraw/zinc/73/91/86/1348739186.db2.gz HTAXPTDSBIZDNC-CYBMUJFWSA-N 0 0 348.443 2.040 10 10 EECERN Cc1cc(CNC(=O)[C@H]2CC(=O)N(C)C2)c(C)n1-c1cccc(C)c1 ZINC001587880972 1348873475 /nfs/dbraw/zinc/87/34/75/1348873475.db2.gz ONMFCHJKXWKVHF-KRWDZBQOSA-N 0 0 339.439 2.497 10 10 EECERN CC(C)S(=O)(=O)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001597568886 1349928107 /nfs/dbraw/zinc/92/81/07/1349928107.db2.gz JLZVCUJISBICPW-UHFFFAOYSA-N 0 0 349.408 2.210 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccc(C=O)cc1 ZINC001623573996 1352400368 /nfs/dbraw/zinc/40/03/68/1352400368.db2.gz JIYDWWZYGJPLJQ-UHFFFAOYSA-N 0 0 334.368 2.386 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1coc(C)n1 ZINC001623928217 1352409109 /nfs/dbraw/zinc/40/91/09/1352409109.db2.gz JSIPKOKWNLVGTO-UHFFFAOYSA-N 0 0 338.747 2.157 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](O)c1cccnc1 ZINC001624626468 1352426166 /nfs/dbraw/zinc/42/61/66/1352426166.db2.gz RMNNDFRARVJURZ-SFHVURJKSA-N 0 0 325.412 2.374 10 10 EECERN O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)Nc1cccnc1 ZINC001627476830 1352498356 /nfs/dbraw/zinc/49/83/56/1352498356.db2.gz MKWMCPWLAYDBLN-UHFFFAOYSA-N 0 0 343.364 2.076 10 10 EECERN CCOC(=O)N1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001628319458 1352530269 /nfs/dbraw/zinc/53/02/69/1352530269.db2.gz FJMLOLOKAZIJDW-UHFFFAOYSA-N 0 0 347.375 2.200 10 10 EECERN CCOc1cc(C(=O)NCc2cccc(Br)c2O)on1 ZINC001634725529 1352633969 /nfs/dbraw/zinc/63/39/69/1352633969.db2.gz YQHXVOZXBDXPFL-UHFFFAOYSA-N 0 0 341.161 2.471 10 10 EECERN O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1c(F)ccc(O)c1O ZINC001641572080 1352722624 /nfs/dbraw/zinc/72/26/24/1352722624.db2.gz OSQGWRCUBRFLGV-BXUZGUMPSA-N 0 0 332.331 2.282 10 10 EECERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(O)c1O ZINC001643810211 1352752091 /nfs/dbraw/zinc/75/20/91/1352752091.db2.gz YVBZUBWJXCHXKQ-SNVBAGLBSA-N 0 0 348.786 2.186 10 10 EECERN O=C(CCC(=O)c1ccc(Cl)cn1)NCc1cccc(O)c1O ZINC001651176023 1354042136 /nfs/dbraw/zinc/04/21/36/1354042136.db2.gz XEMVZIVQHFNBFR-UHFFFAOYSA-N 0 0 334.759 2.426 10 10 EECERN COc1ccc2c(c1)C=C(C(=O)NCc1cc(O)ccc1O)CO2 ZINC001651222566 1354044885 /nfs/dbraw/zinc/04/48/85/1354044885.db2.gz JWEDSSVMPHTEEE-UHFFFAOYSA-N 0 0 327.336 2.199 10 10 EECERN O=C(CCCn1c(=O)oc2ccccc21)NCc1cc(O)ccc1O ZINC001651222721 1354045054 /nfs/dbraw/zinc/04/50/54/1354045054.db2.gz NRXUCSLMYJUTDL-UHFFFAOYSA-N 0 0 342.351 2.102 10 10 EECERN CN(CCCC(=O)OC(C)(C)C)C(=O)c1c(F)ccc(O)c1O ZINC001654843192 1354159673 /nfs/dbraw/zinc/15/96/73/1354159673.db2.gz UPSIDWNXGVBERM-UHFFFAOYSA-N 0 0 327.352 2.431 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1COc2cc(F)ccc2C1 ZINC001682854600 1358176829 /nfs/dbraw/zinc/17/68/29/1358176829.db2.gz IPUXNIFDZSKVIR-GFCCVEGCSA-N 0 0 334.322 2.473 10 10 EECERN CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)C1(C)CC1 ZINC001688405934 1358947706 /nfs/dbraw/zinc/94/77/06/1358947706.db2.gz WWRXRPHYFAZZRF-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN CCNC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nn1 ZINC000840243392 782452503 /nfs/dbraw/zinc/45/25/03/782452503.db2.gz LVWKSKQTFRKQPL-UHFFFAOYSA-N 0 0 325.416 2.439 10 10 EECERN CCS(=O)(=O)C1(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000693476209 759957731 /nfs/dbraw/zinc/95/77/31/759957731.db2.gz XYORATUYWHNIDT-UHFFFAOYSA-N 0 0 348.262 2.212 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CCC(C)(C)O2)cc1 ZINC000785250279 769735349 /nfs/dbraw/zinc/73/53/49/769735349.db2.gz SYYJYBDXFROKQG-INIZCTEOSA-N 0 0 348.443 2.212 10 10 EECERN COc1ccc(CNC(=O)[C@H]2COC[C@@H]2c2ccccc2)c(O)c1 ZINC000846948991 790769037 /nfs/dbraw/zinc/76/90/37/790769037.db2.gz FAZJIPPHYAXZJK-SJORKVTESA-N 0 0 327.380 2.447 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCOC[C@@H]3C)C2)cc1 ZINC000819588121 785597237 /nfs/dbraw/zinc/59/72/37/785597237.db2.gz JNSGZZACMQJJCR-HDMKZQKVSA-N 0 0 332.444 2.310 10 10 EECERN CCC/C=C\[C@H](O)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001136336236 785901002 /nfs/dbraw/zinc/90/10/02/785901002.db2.gz ICJINSNRCOPHRJ-YEODSOHDSA-N 0 0 332.444 2.451 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3CCC(=O)[C@@H](C)C3)C2)cc1 ZINC000922950257 788425072 /nfs/dbraw/zinc/42/50/72/788425072.db2.gz GRZHKWHUKZLLLT-GJZGRUSLSA-N 0 0 345.443 2.142 10 10 EECERN CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000785433634 788732687 /nfs/dbraw/zinc/73/26/87/788732687.db2.gz OICWRFMBHJWYRU-CQSZACIVSA-N 0 0 346.456 2.093 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@]12OCCC[C@H]1C2(F)F ZINC000923279982 789290141 /nfs/dbraw/zinc/29/01/41/789290141.db2.gz VOEGIGFCFWUHPT-OCCSQVGLSA-N 0 0 330.306 2.145 10 10 EECERN COC1(C[C@@H]2NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)CCC1 ZINC000844712435 789316289 /nfs/dbraw/zinc/31/62/89/789316289.db2.gz QYMUMEPGHYWZMF-HNNXBMFYSA-N 0 0 331.416 2.132 10 10 EECERN COCC[NH2+]C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000844901035 789443375 /nfs/dbraw/zinc/44/33/75/789443375.db2.gz UNLZZMPVPVAXBD-UHFFFAOYSA-N 0 0 343.811 2.154 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCn3ccnc32)cc1 ZINC000845226241 789678425 /nfs/dbraw/zinc/67/84/25/789678425.db2.gz LSJUXMFAWMTJMH-INIZCTEOSA-N 0 0 343.431 2.114 10 10 EECERN CCn1ccnc1CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000845232331 789684158 /nfs/dbraw/zinc/68/41/58/789684158.db2.gz JMHRDVMKECLRGP-UHFFFAOYSA-N 0 0 345.447 2.189 10 10 EECERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@]2(CO)CCc3ccccc32)c1 ZINC000846012486 790022023 /nfs/dbraw/zinc/02/20/23/790022023.db2.gz ZSTPYMQXIYQCDO-SFHVURJKSA-N 0 0 328.368 2.267 10 10 EECERN C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000846192175 790085670 /nfs/dbraw/zinc/08/56/70/790085670.db2.gz FTGXLJYOSPMORI-YMTOWFKASA-N 0 0 348.212 2.486 10 10 EECERN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000913726901 794184074 /nfs/dbraw/zinc/18/40/74/794184074.db2.gz ZKZJJOKCFWMAKZ-STQMWFEESA-N 0 0 332.400 2.395 10 10 EECERN O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1cc(O)ccc1O ZINC001176754353 798570226 /nfs/dbraw/zinc/57/02/26/798570226.db2.gz BEIRJBRTHHPWSR-UHFFFAOYSA-N 0 0 349.774 2.189 10 10 EECERN c1cc2c(cc1CNCc1nnc(C3CCOCC3)[nH]1)CCCO2 ZINC000922303882 800404807 /nfs/dbraw/zinc/40/48/07/800404807.db2.gz XWIMYXXSBXWVFL-UHFFFAOYSA-N 0 0 328.416 2.314 10 10 EECERN O=C1C[C@H](CC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CN1 ZINC000922782091 801870772 /nfs/dbraw/zinc/87/07/72/801870772.db2.gz SOVXMJYIXZNQBA-QMMMGPOBSA-N 0 0 347.640 2.424 10 10 EECERN COC[C@@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000805071338 811133785 /nfs/dbraw/zinc/13/37/85/811133785.db2.gz UGXCQGZOTPNSKA-VIFPVBQESA-N 0 0 331.210 2.236 10 10 EECERN C[C@@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000805153933 811161583 /nfs/dbraw/zinc/16/15/83/811161583.db2.gz DKJPFNKWVHEYOM-NXEZZACHSA-N 0 0 343.221 2.379 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000808539246 812709328 /nfs/dbraw/zinc/70/93/28/812709328.db2.gz XXDPEBJMXLTZOL-UHFFFAOYSA-N 0 0 347.367 2.299 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC000808547712 812716987 /nfs/dbraw/zinc/71/69/87/812716987.db2.gz QCNQOXOGGXDKHO-ZDUSSCGKSA-N 0 0 341.404 2.113 10 10 EECERN CCn1c(=O)[nH]c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc21 ZINC001566358804 1125597151 /nfs/dbraw/zinc/59/71/51/1125597151.db2.gz NDWUEKWIXVDQQY-UHFFFAOYSA-N 0 0 327.340 2.103 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@@H]2O ZINC001445651723 1091440716 /nfs/dbraw/zinc/44/07/16/1091440716.db2.gz FZRCKYKWYGSNDF-KRWDZBQOSA-N 0 0 329.400 2.468 10 10 EECERN Cn1cc(Cl)c(C(=O)NCc2cccc(Br)c2O)n1 ZINC001448964123 1093970085 /nfs/dbraw/zinc/97/00/85/1093970085.db2.gz PWXPAWZZYBGRPU-UHFFFAOYSA-N 0 0 344.596 2.472 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC001450629900 1094964598 /nfs/dbraw/zinc/96/45/98/1094964598.db2.gz QPZAWJVAZJMQIF-UKRRQHHQSA-N 0 0 340.339 2.073 10 10 EECERN C[C@@H](C(=O)NCc1cc(O)ccc1O)[C@H](C)NC(=O)OC(C)(C)C ZINC001455350364 1108467811 /nfs/dbraw/zinc/46/78/11/1108467811.db2.gz BTULESKHUSKZGK-MNOVXSKESA-N 0 0 338.404 2.263 10 10 EECERN CNC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1Cl ZINC001464341906 1110391928 /nfs/dbraw/zinc/39/19/28/1110391928.db2.gz XFHNUMBRVRBCMZ-UHFFFAOYSA-N 0 0 334.759 2.292 10 10 EECERN CCOc1nc2cc(C(=O)NCc3ccc(O)c(O)c3)ccc2[nH]1 ZINC001465954997 1110427118 /nfs/dbraw/zinc/42/71/18/1110427118.db2.gz VCUISKUZVCGQEP-UHFFFAOYSA-N 0 0 327.340 2.303 10 10 EECERN COC(=O)[C@]1(C)CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001469097010 1110485212 /nfs/dbraw/zinc/48/52/12/1110485212.db2.gz NVOSKZVGDULYSD-MRXNPFEDSA-N 0 0 332.360 2.264 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC(OCC(C)C)C3)C2)cc1 ZINC001470771276 1110512171 /nfs/dbraw/zinc/51/21/71/1110512171.db2.gz CBBBUJGCXPCZCB-HNNXBMFYSA-N 0 0 347.459 2.340 10 10 EECERN O=C(Cc1csc(-c2cccnc2)n1)NCc1cccc(O)c1O ZINC001471643134 1110526810 /nfs/dbraw/zinc/52/68/10/1110526810.db2.gz FJNGKDPTYAZQGB-UHFFFAOYSA-N 0 0 341.392 2.475 10 10 EECERN O=C(CCNC(=O)Cc1ccccc1)NCc1cccc(Cl)c1O ZINC001472316604 1110551530 /nfs/dbraw/zinc/55/15/30/1110551530.db2.gz YSXLYIXNPZSKKE-UHFFFAOYSA-N 0 0 346.814 2.411 10 10 EECERN CCCOc1ccnc(CC(=O)NCc2cccc(Cl)c2O)n1 ZINC001472317005 1110551548 /nfs/dbraw/zinc/55/15/48/1110551548.db2.gz QSAWIPCUCNVAHW-UHFFFAOYSA-N 0 0 335.791 2.483 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC001478776412 1110657497 /nfs/dbraw/zinc/65/74/97/1110657497.db2.gz MHJYNWLFCADCGW-LJQANCHMSA-N 0 0 344.459 2.097 10 10 EECERN CCCn1c(C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001500880438 1113121455 /nfs/dbraw/zinc/12/14/55/1113121455.db2.gz LZABBZFZFJQVCI-UHFFFAOYSA-N 0 0 333.411 2.471 10 10 EECERN Cn1ccnc1[C@@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC001521459115 1119251604 /nfs/dbraw/zinc/25/16/04/1119251604.db2.gz PPJATBMQJBNUTR-LLVKDONJSA-N 0 0 328.294 2.229 10 10 EECERN CC(C)C(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001523355502 1119764287 /nfs/dbraw/zinc/76/42/87/1119764287.db2.gz XCFOKYDVSSPVEJ-UHFFFAOYSA-N 0 0 333.392 2.083 10 10 EECERN CCc1nnc(N(C)Cc2ccccc2O)n1CCCC(=O)N(C)C ZINC001546421326 1120512516 /nfs/dbraw/zinc/51/25/16/1120512516.db2.gz BJLSKURDMRBSKB-UHFFFAOYSA-N 0 0 345.447 2.051 10 10 EECERN CC(C)N(CC(=O)NCc1cccc(O)c1O)C(=O)OC(C)(C)C ZINC001528771171 1121163390 /nfs/dbraw/zinc/16/33/90/1121163390.db2.gz LTWQMZATJPJZSF-UHFFFAOYSA-N 0 0 338.404 2.360 10 10 EECERN CN(Cc1cc2c(cc1O)OCO2)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104722 529980641 /nfs/dbraw/zinc/98/06/41/529980641.db2.gz OEAXPBVMDXDLFT-HNNXBMFYSA-N 0 0 340.379 2.358 10 10 EECERN Cc1csc([C@@H]2CN(Cc3cc4c(cc3O)OCO4)CCO2)n1 ZINC000156510887 463033445 /nfs/dbraw/zinc/03/34/45/463033445.db2.gz GWGWHVGNRDAYCI-HNNXBMFYSA-N 0 0 334.397 2.459 10 10 EECERN COc1ccc(N(CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C)cc1 ZINC000047549777 462798705 /nfs/dbraw/zinc/79/87/05/462798705.db2.gz PARAUEUHXGNXMN-UHFFFAOYSA-N 0 0 349.475 2.331 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(C2CC2)CC1 ZINC000171632982 463897020 /nfs/dbraw/zinc/89/70/20/463897020.db2.gz MLCJZPXUZYJZRJ-UHFFFAOYSA-N 0 0 328.460 2.276 10 10 EECERN Cc1cc(C)n(CC(=O)NCc2cccc(Br)c2O)n1 ZINC000277432086 463915325 /nfs/dbraw/zinc/91/53/25/463915325.db2.gz DRWGSVDJKAHRJG-UHFFFAOYSA-N 0 0 338.205 2.284 10 10 EECERN C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000284310319 464145911 /nfs/dbraw/zinc/14/59/11/464145911.db2.gz LGWGUJGQUVDRQW-PGUXBMHVSA-N 0 0 326.393 2.109 10 10 EECERN Cc1ccc(O)c(CNc2ncn(CC(=O)N3CCCCCC3)n2)c1 ZINC000187996823 464180731 /nfs/dbraw/zinc/18/07/31/464180731.db2.gz GUURMDRHVHAJAU-UHFFFAOYSA-N 0 0 343.431 2.307 10 10 EECERN NC(=O)c1csc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000292549527 464269702 /nfs/dbraw/zinc/26/97/02/464269702.db2.gz RJKQJNRYLISATE-UHFFFAOYSA-N 0 0 346.456 2.063 10 10 EECERN Cc1cnn([C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000180759254 464388717 /nfs/dbraw/zinc/38/87/17/464388717.db2.gz KKTLEXJPQVHRBK-KEDPEKRHSA-N 0 0 327.384 2.480 10 10 EECERN Cc1cc(C(=O)N[C@@H]2CCCn3ncnc32)c(C)n1-c1ccccn1 ZINC000175709085 464606035 /nfs/dbraw/zinc/60/60/35/464606035.db2.gz HEKRFNNSIQXMFG-OAHLLOKOSA-N 0 0 336.399 2.346 10 10 EECERN COC(=O)CCCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000275297991 464770476 /nfs/dbraw/zinc/77/04/76/464770476.db2.gz NJPBZYIFFMBTLC-UHFFFAOYSA-N 0 0 348.443 2.215 10 10 EECERN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1N1CCOCC1 ZINC000248806725 464804324 /nfs/dbraw/zinc/80/43/24/464804324.db2.gz BQCFZLDFWFSVRZ-BXUZGUMPSA-N 0 0 328.815 2.337 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2nc(N)n(C)n2)c1O ZINC000295463588 464845674 /nfs/dbraw/zinc/84/56/74/464845674.db2.gz XKQWSLDYSCCBEE-CYBMUJFWSA-N 0 0 349.822 2.296 10 10 EECERN CN(C)c1ccc(CN2C(=O)[C@@H]3[C@@H]4CCC[C@@H]4CN3C2=O)cc1F ZINC000372912563 466635106 /nfs/dbraw/zinc/63/51/06/466635106.db2.gz PWICOESRKUZNOX-IOASZLSFSA-N 0 0 331.391 2.454 10 10 EECERN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)n1[C@H]1CCOC1 ZINC000528857787 467767825 /nfs/dbraw/zinc/76/78/25/467767825.db2.gz OWCLIRVIFIPFNE-HNNXBMFYSA-N 0 0 344.411 2.450 10 10 EECERN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(-n2cnnc2)cc1 ZINC000725889599 576102020 /nfs/dbraw/zinc/10/20/20/576102020.db2.gz XUWQGKGPGDHEOT-UHFFFAOYSA-N 0 0 349.394 2.356 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000730107951 576716567 /nfs/dbraw/zinc/71/65/67/576716567.db2.gz ZNUHYTVGBFZTEG-HWKANZROSA-N 0 0 334.372 2.380 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000773744455 577362455 /nfs/dbraw/zinc/36/24/55/577362455.db2.gz CBSFORFGAGRBNE-SNVBAGLBSA-N 0 0 327.340 2.442 10 10 EECERN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc(OCCO)c1 ZINC000773753439 577362889 /nfs/dbraw/zinc/36/28/89/577362889.db2.gz SMSBKCYHMNAYIJ-HWKANZROSA-N 0 0 329.352 2.429 10 10 EECERN C[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000775432399 577437175 /nfs/dbraw/zinc/43/71/75/577437175.db2.gz CPJVUHRTPQPSGH-GFCCVEGCSA-N 0 0 336.395 2.480 10 10 EECERN CNC(=O)Cc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775828652 577446827 /nfs/dbraw/zinc/44/68/27/577446827.db2.gz UBSFHIQTNZUQHQ-GFCCVEGCSA-N 0 0 332.473 2.348 10 10 EECERN CC(C)CN(CC(F)(F)F)C(=O)COC(=O)c1cccc(O)c1O ZINC000758573421 577627574 /nfs/dbraw/zinc/62/75/74/577627574.db2.gz RWXXBGQGGALUKD-UHFFFAOYSA-N 0 0 349.305 2.302 10 10 EECERN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cscn1 ZINC000761187627 577678687 /nfs/dbraw/zinc/67/86/87/577678687.db2.gz OVWLCMOFVKOOHR-UHFFFAOYSA-N 0 0 337.788 2.467 10 10 EECERN Cc1nc(N(C)C)nc(N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000762180325 577696678 /nfs/dbraw/zinc/69/66/78/577696678.db2.gz URYRKSVFFFTPGC-HNNXBMFYSA-N 0 0 343.431 2.137 10 10 EECERN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(C)c2)C1 ZINC000749067681 577970706 /nfs/dbraw/zinc/97/07/06/577970706.db2.gz LRDGTFVUEIWBBV-JTHGQSKGSA-N 0 0 335.407 2.497 10 10 EECERN CCc1n[nH]cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000736196106 578186503 /nfs/dbraw/zinc/18/65/03/578186503.db2.gz NGMCUQVXPDKDQY-UHFFFAOYSA-N 0 0 342.443 2.111 10 10 EECERN CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N(C)Cc1ccccc1O ZINC000120252488 674830948 /nfs/dbraw/zinc/83/09/48/674830948.db2.gz PWDIVXSEYKICFN-QGZVFWFLSA-N 0 0 341.411 2.200 10 10 EECERN O=C(CCCn1ccnc1)NCc1cc(Br)ccc1O ZINC000804733557 675609191 /nfs/dbraw/zinc/60/91/91/675609191.db2.gz SWMXRYUCAFCADW-UHFFFAOYSA-N 0 0 338.205 2.448 10 10 EECERN COCCOCCCNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000052853243 679398987 /nfs/dbraw/zinc/39/89/87/679398987.db2.gz FLJBFNLRGAAALQ-UHFFFAOYSA-N 0 0 331.372 2.033 10 10 EECERN Nc1cccnc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866898703 681337982 /nfs/dbraw/zinc/33/79/82/681337982.db2.gz WWDUGRVOCFFHAU-CQSZACIVSA-N 0 0 327.384 2.191 10 10 EECERN CCOC(=O)c1nnc([C@H](C)[NH2+]CC=Cc2ccc(N(C)C)cc2)[n-]1 ZINC000895237429 684342598 /nfs/dbraw/zinc/34/25/98/684342598.db2.gz HCZUVKGIGDFKQG-FWWRYZNZSA-N 0 0 343.431 2.411 10 10 EECERN COc1ccc(N2CCC(NC(=O)[C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000194265955 684926837 /nfs/dbraw/zinc/92/68/37/684926837.db2.gz BPSIJOLKNWCXKZ-KSSFIOAISA-N 0 0 332.444 2.453 10 10 EECERN COC(=O)C[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897093973 686102941 /nfs/dbraw/zinc/10/29/41/686102941.db2.gz UPECGWKIBAQPLU-JTQLQIEISA-N 0 0 335.381 2.480 10 10 EECERN CC(=O)OC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897179216 686221202 /nfs/dbraw/zinc/22/12/02/686221202.db2.gz MQESPDSMWNUNCD-UHFFFAOYSA-N 0 0 335.381 2.480 10 10 EECERN COC1([C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C(=O)[O-])CCC1 ZINC000904051899 694275870 /nfs/dbraw/zinc/27/58/70/694275870.db2.gz ZRVDVEFNKMUQGK-CQSZACIVSA-N 0 0 328.359 2.143 10 10 EECERN COC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)O1 ZINC000897507413 690775018 /nfs/dbraw/zinc/77/50/18/690775018.db2.gz UFCKOKLFXQWEJV-GXSJLCMTSA-N 0 0 337.397 2.188 10 10 EECERN C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[S@@]1=O ZINC000897566664 691626482 /nfs/dbraw/zinc/62/64/82/691626482.db2.gz VJVLNBXWNJSTSY-CLTRCRFRSA-N 0 0 339.438 2.296 10 10 EECERN O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1cc2cc(O)c(O)cc2s1 ZINC000897945952 691830934 /nfs/dbraw/zinc/83/09/34/691830934.db2.gz JGGCVXXJTJXYRV-GHMZBOCLSA-N 0 0 346.408 2.196 10 10 EECERN CC1(C)Oc2ccsc2[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H]1O ZINC001299186532 1187258212 /nfs/dbraw/zinc/25/82/12/1187258212.db2.gz SRHWORIUGOAPDC-ZBFHGGJFSA-N 0 0 349.408 2.091 10 10 EECERN CCN(C)C(=O)c1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC001142533807 1188238335 /nfs/dbraw/zinc/23/83/35/1188238335.db2.gz RJAHHJZATHHPOP-UHFFFAOYSA-N 0 0 328.368 2.120 10 10 EECERN Cn1c(-c2ccccc2)cnc1SC[C@H](O)CC1(O)CCOCC1 ZINC000871968305 1197996302 /nfs/dbraw/zinc/99/63/02/1197996302.db2.gz NJCLBMPZFGWTHI-OAHLLOKOSA-N 0 0 348.468 2.472 10 10 EECERN CN1C(=O)/C(=C\c2cn(C[C@H]3CCOC3)nn2)c2cc(Cl)ccc21 ZINC000865224579 1198130326 /nfs/dbraw/zinc/13/03/26/1198130326.db2.gz TVMFHZYYYFNSEV-LYGDGENHSA-N 0 0 344.802 2.485 10 10 EECERN COc1ccc(N2CCN(C(=O)c3nc([C@H]4C[C@@H]4C)no3)CC2)cc1 ZINC000865892830 1198416918 /nfs/dbraw/zinc/41/69/18/1198416918.db2.gz LBJQNPHDKIZNAD-WFASDCNBSA-N 0 0 342.399 2.164 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3nnc(C4CC4)o3)CC2)cc1 ZINC000865909836 1198421995 /nfs/dbraw/zinc/42/19/95/1198421995.db2.gz DJZCLFCTTYZKOO-UHFFFAOYSA-N 0 0 342.399 2.308 10 10 EECERN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)O1 ZINC000865953010 1198435915 /nfs/dbraw/zinc/43/59/15/1198435915.db2.gz ANXDBDDOQJRNDX-VCBZYWHSSA-N 0 0 346.471 2.325 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2nc([C@H]3C[C@@H]3C)no2)cc1 ZINC000866015668 1198455676 /nfs/dbraw/zinc/45/56/76/1198455676.db2.gz HPGKKXIOHCRMKF-WFASDCNBSA-N 0 0 344.415 2.410 10 10 EECERN CC(C)(O)[C@@H](Oc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204968 1201099441 /nfs/dbraw/zinc/09/94/41/1201099441.db2.gz NDEYCLOTSIFIPK-KRWDZBQOSA-N 0 0 327.380 2.453 10 10 EECERN C[C@@H](NS(=O)(=O)c1c(C(F)(F)F)cnn1C)c1ccccc1O ZINC000867833960 1201690436 /nfs/dbraw/zinc/69/04/36/1201690436.db2.gz AVHUAQAKRBMDGV-MRVPVSSYSA-N 0 0 349.334 2.184 10 10 EECERN COC[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCOC1 ZINC000886359402 1202496689 /nfs/dbraw/zinc/49/66/89/1202496689.db2.gz BNSULGDJHCIMQC-GXFFZTMASA-N 0 0 344.795 2.485 10 10 EECERN Cn1ccc([C@@H]2CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)n1 ZINC000928192168 1206357803 /nfs/dbraw/zinc/35/78/03/1206357803.db2.gz IKTMGZWEBJDGKN-BRLPQQTGSA-N 0 0 327.384 2.251 10 10 EECERN O=C(NC1CCC(C(=O)NCc2c(O)cccc2F)CC1)C1CC1 ZINC000928707726 1206413690 /nfs/dbraw/zinc/41/36/90/1206413690.db2.gz HAHOBUQMTRDONL-UHFFFAOYSA-N 0 0 334.391 2.233 10 10 EECERN CCN(CCC(N)=O)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000928824528 1206424541 /nfs/dbraw/zinc/42/45/41/1206424541.db2.gz YCPNCJLCLUYJRI-UHFFFAOYSA-N 0 0 343.427 2.440 10 10 EECERN CCN(CCC(N)=O)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000928827879 1206424830 /nfs/dbraw/zinc/42/48/30/1206424830.db2.gz LXWMWBHMXPWERL-UHFFFAOYSA-N 0 0 341.411 2.244 10 10 EECERN CC(=O)OCC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000777800005 1206485592 /nfs/dbraw/zinc/48/55/92/1206485592.db2.gz KTOMUSFLYDZKCU-UHFFFAOYSA-N 0 0 348.443 2.119 10 10 EECERN CO[C@@H]1C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000931582595 1207419138 /nfs/dbraw/zinc/41/91/38/1207419138.db2.gz XIOFWDMCMPKQSM-HUUCEWRRSA-N 0 0 340.370 2.408 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCc2cc(C(N)=O)co2)cc1 ZINC000190349093 1209825968 /nfs/dbraw/zinc/82/59/68/1209825968.db2.gz FVFGATIWQXZTGN-UHFFFAOYSA-N 0 0 344.415 2.224 10 10 EECERN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Cc1ccccc1 ZINC000779533381 1210422225 /nfs/dbraw/zinc/42/22/25/1210422225.db2.gz FPKSYMWWEHDQHO-KJJQSCHISA-N 0 0 325.364 2.428 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CSCN2C(C)=O)cc1 ZINC000194823382 1211275952 /nfs/dbraw/zinc/27/59/52/1211275952.db2.gz DJIZPJKDCZWZLT-INIZCTEOSA-N 0 0 335.473 2.070 10 10 EECERN CSC[C@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000304289065 1214624608 /nfs/dbraw/zinc/62/46/08/1214624608.db2.gz MAJFDOGEBOESGG-MRXNPFEDSA-N 0 0 333.413 2.094 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2coc3c2C(=O)NCCC3)c1 ZINC001137473682 1248707206 /nfs/dbraw/zinc/70/72/06/1248707206.db2.gz RFRJLVDCKAGTNV-SNVBAGLBSA-N 0 0 344.367 2.161 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@H]1C(F)F ZINC000801162994 1235157390 /nfs/dbraw/zinc/15/73/90/1235157390.db2.gz LBKDDNRTGBLKOG-STQMWFEESA-N 0 0 342.361 2.304 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2C[C@@H]2C(F)F)cc1 ZINC000801478469 1235656422 /nfs/dbraw/zinc/65/64/22/1235656422.db2.gz RZORVIQHVHXBMR-KBPBESRZSA-N 0 0 340.370 2.155 10 10 EECERN COc1ccc(N(C[C@H]2CCN(S(C)(=O)=O)C2)C(C)C)cc1F ZINC000801522595 1235779421 /nfs/dbraw/zinc/77/94/21/1235779421.db2.gz WCJZEPHHDJHXHK-ZDUSSCGKSA-N 0 0 344.452 2.331 10 10 EECERN CC(C)Oc1ccc(N(C)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801552067 1235824989 /nfs/dbraw/zinc/82/49/89/1235824989.db2.gz XLUBJDMENHWEIR-CQSZACIVSA-N 0 0 326.462 2.192 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(CC)C1=O ZINC000802533309 1237605036 /nfs/dbraw/zinc/60/50/36/1237605036.db2.gz WYXBINDIFSWTEE-HNNXBMFYSA-N 0 0 333.432 2.325 10 10 EECERN C[C@H](NC(=O)NCC(C)(C)[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000826947974 1248153969 /nfs/dbraw/zinc/15/39/69/1248153969.db2.gz ZVRLLEWOLGVVMF-IFXJQAMLSA-N 0 0 349.475 2.290 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000850602021 1277280198 /nfs/dbraw/zinc/28/01/98/1277280198.db2.gz MDBTUCOPQGQOCV-RYRKJORJSA-N 0 0 343.471 2.263 10 10 EECERN COC[C@H](C)OC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000867383670 1289355942 /nfs/dbraw/zinc/35/59/42/1289355942.db2.gz ZUOFKHZASJACNK-NSHDSACASA-N 0 0 344.358 2.063 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)C3CCCC3)C2)cc1 ZINC000852448938 1292116781 /nfs/dbraw/zinc/11/67/81/1292116781.db2.gz ODTYQRFLYKECDE-MAUKXSAKSA-N 0 0 347.459 2.124 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](OC)[C@@H]1CCOC1 ZINC000854276779 1292700401 /nfs/dbraw/zinc/70/04/01/1292700401.db2.gz AQUXBJZJHDXSBA-AEFFLSMTSA-N 0 0 349.475 2.336 10 10 EECERN CCN(C[C@H]1CCOC1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302354 1292712164 /nfs/dbraw/zinc/71/21/64/1292712164.db2.gz ZJCNNSCTQNEZJR-HZPDHXFCSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3n[nH]c4c3CCCC4)C2)cc1 ZINC000855231699 1293121689 /nfs/dbraw/zinc/12/16/89/1293121689.db2.gz LDAYNQZKNBGSTO-CYBMUJFWSA-N 0 0 340.427 2.306 10 10 EECERN CCc1ncncc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855232352 1293122029 /nfs/dbraw/zinc/12/20/29/1293122029.db2.gz QHIAMNBNIIFVGN-ZDUSSCGKSA-N 0 0 326.400 2.056 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)/C=C/C3CCOCC3)C2)cc1 ZINC000855231650 1293122071 /nfs/dbraw/zinc/12/20/71/1293122071.db2.gz NDXXAFQLDNVKEA-BGGTUALNSA-N 0 0 330.428 2.373 10 10 EECERN C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)cc(F)c1[O-] ZINC000858522680 1294142335 /nfs/dbraw/zinc/14/23/35/1294142335.db2.gz HMPLWHOZHRTRMV-KOLCDFICSA-N 0 0 347.228 2.275 10 10 EECERN CCO[C@@]1(C)C[C@H]1NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000858552869 1294152299 /nfs/dbraw/zinc/15/22/99/1294152299.db2.gz WLXFRSLIRUVXRC-YJLNNSPDSA-N 0 0 347.459 2.388 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCO[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000858798044 1294229610 /nfs/dbraw/zinc/22/96/10/1294229610.db2.gz VLVBJALELWXHRW-MASHWEEQSA-N 0 0 338.335 2.346 10 10 EECERN CO[C@H]1C[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000859008035 1294291027 /nfs/dbraw/zinc/29/10/27/1294291027.db2.gz PWUVYPOWRLPOBC-WVSHTKLVSA-N 0 0 343.221 2.379 10 10 EECERN CCN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 ZINC000862145753 1295720901 /nfs/dbraw/zinc/72/09/01/1295720901.db2.gz OTIYHRZYEMDNRU-CYBMUJFWSA-N 0 0 334.420 2.387 10 10 EECERN COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1ccc(N(C)C)c(F)c1 ZINC000862516403 1295865202 /nfs/dbraw/zinc/86/52/02/1295865202.db2.gz QPLURXLWMLSLIS-GDBMZVCRSA-N 0 0 338.423 2.340 10 10 EECERN FCC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000862530362 1295868598 /nfs/dbraw/zinc/86/85/98/1295868598.db2.gz KZRDRZKZKABHMF-HNNXBMFYSA-N 0 0 326.387 2.223 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](O)[C@H]2CCCO2)cc1 ZINC000862650734 1295916350 /nfs/dbraw/zinc/91/63/50/1295916350.db2.gz UYLJLILDPRIKOH-QZTJIDSGSA-N 0 0 328.412 2.364 10 10 EECERN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C(=O)O1 ZINC001248370690 1310897043 /nfs/dbraw/zinc/89/70/43/1310897043.db2.gz GTVNGFOXNOOYOW-BBRMVZONSA-N 0 0 331.416 2.132 10 10 EECERN Nc1ccc(NC(=O)C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000841109060 1315477671 /nfs/dbraw/zinc/47/76/71/1315477671.db2.gz JAGGHAPZYKVLKZ-MRXNPFEDSA-N 0 0 331.416 2.158 10 10 EECERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841961216 1315644944 /nfs/dbraw/zinc/64/49/44/1315644944.db2.gz CCZGNHZZQYDBEY-MFKMUULPSA-N 0 0 331.338 2.173 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1[O-] ZINC000843118512 1315847166 /nfs/dbraw/zinc/84/71/66/1315847166.db2.gz ZTDXUTOTEXKUPY-HNNXBMFYSA-N 0 0 348.790 2.495 10 10 EECERN OC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C(F)(F)F ZINC000843413428 1315911023 /nfs/dbraw/zinc/91/10/23/1315911023.db2.gz IXSZYTSQXRLLNB-XPTSAGLGSA-N 0 0 333.306 2.256 10 10 EECERN CC[C@@H](CO)N(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001152078722 1316629594 /nfs/dbraw/zinc/62/95/94/1316629594.db2.gz HEPXBSKPXUJMOV-INIZCTEOSA-N 0 0 329.396 2.440 10 10 EECERN CC(C)(C)c1noc(CCCC(=O)NCc2cc(O)ccc2O)n1 ZINC001153879654 1316907243 /nfs/dbraw/zinc/90/72/43/1316907243.db2.gz SVTIVGMEZLWLJA-UHFFFAOYSA-N 0 0 333.388 2.417 10 10 EECERN COc1ccc(N2CC[C@@H](CNc3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC001163566147 1321159285 /nfs/dbraw/zinc/15/92/85/1321159285.db2.gz PXRJPHBEKLGKCP-LBPRGKRZSA-N 0 0 331.376 2.275 10 10 EECERN CCOC(=O)[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC001294756666 1329138148 /nfs/dbraw/zinc/13/81/48/1329138148.db2.gz YMEDWPVEKQYALA-KRWDZBQOSA-N 0 0 348.443 2.179 10 10 EECERN C[C@H](CC(N)=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001290758252 1328260812 /nfs/dbraw/zinc/26/08/12/1328260812.db2.gz XMSOMZDMTRYXJZ-CQSZACIVSA-N 0 0 343.427 2.386 10 10 EECERN C[C@H](NC(=O)C1=C[S@@](=O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC001292234985 1328371972 /nfs/dbraw/zinc/37/19/72/1328371972.db2.gz BMHGZXLIQZIUEQ-BSEYFRJRSA-N 0 0 348.468 2.127 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3ncc(Cl)cn3)CC2)cc1 ZINC001295275135 1329797974 /nfs/dbraw/zinc/79/79/74/1329797974.db2.gz HHOPEEFXPXLLFJ-UHFFFAOYSA-N 0 0 346.818 2.491 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1CC1(C)C ZINC001298759315 1330118341 /nfs/dbraw/zinc/11/83/41/1330118341.db2.gz YJQTXECVAQEWRM-GWCFXTLKSA-N 0 0 345.403 2.130 10 10 EECERN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NCc1cc(O)ccc1O ZINC001303225664 1331350458 /nfs/dbraw/zinc/35/04/58/1331350458.db2.gz MHQOLPZHSMHOKF-UHFFFAOYSA-N 0 0 341.342 2.282 10 10 EECERN CCCNC(=O)c1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC001306387697 1331469111 /nfs/dbraw/zinc/46/91/11/1331469111.db2.gz FPDMZDJXOPXVAK-UHFFFAOYSA-N 0 0 346.358 2.307 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@](C)(CO)C3)C2)cc1 ZINC001327761620 1334343405 /nfs/dbraw/zinc/34/34/05/1334343405.db2.gz NWXIVYQGZHJCOT-KXBFYZLASA-N 0 0 347.459 2.078 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001328814227 1334528710 /nfs/dbraw/zinc/52/87/10/1334528710.db2.gz WXYSDAUIIYZODT-XGUBFFRZSA-N 0 0 347.411 2.124 10 10 EECERN Cc1n[nH]c(C)c1/C=C1\OCCn2c(C=O)c(Br)nc21 ZINC001331947831 1335685251 /nfs/dbraw/zinc/68/52/51/1335685251.db2.gz OUMOTFJBLSTWGN-WZUFQYTHSA-N 0 0 337.177 2.326 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC[C@]23C[C@H]2CCCC3)cc1F ZINC001340936667 1337267689 /nfs/dbraw/zinc/26/76/89/1337267689.db2.gz RDGXFWFCQSGSHX-KUHUBIRLSA-N 0 0 347.434 2.204 10 10 EECERN CCn1nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccc1=O ZINC001351673735 1337837342 /nfs/dbraw/zinc/83/73/42/1337837342.db2.gz NTQGTFJSVDDSJZ-UHFFFAOYSA-N 0 0 340.427 2.136 10 10 EECERN C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)CC1CC1 ZINC001355189707 1338698987 /nfs/dbraw/zinc/69/89/87/1338698987.db2.gz LTGLCCXBFYWMDY-LLVKDONJSA-N 0 0 345.403 2.274 10 10 EECERN COc1ccc(N2CCC(N3C(=O)N[C@@](C)(CCF)C3=O)CC2)cc1 ZINC000849355105 1339153780 /nfs/dbraw/zinc/15/37/80/1339153780.db2.gz ZBFUHZLRSRLQOJ-SFHVURJKSA-N 0 0 349.406 2.334 10 10 EECERN Oc1ccc(CCNc2ncnc(F)c2Br)cc1O ZINC001612069504 1352305818 /nfs/dbraw/zinc/30/58/18/1352305818.db2.gz BCWBCBFQQLIXST-UHFFFAOYSA-N 0 0 328.141 2.444 10 10 EECERN CCN(c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC001615198126 1352323593 /nfs/dbraw/zinc/32/35/93/1352323593.db2.gz YXPXQRKTOWNFLA-UHFFFAOYSA-N 0 0 341.459 2.460 10 10 EECERN NC(=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC001617253374 1352339016 /nfs/dbraw/zinc/33/90/16/1352339016.db2.gz OSCLBDQTDYZPTB-UHFFFAOYSA-N 0 0 334.397 2.088 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001558162317 1342467101 /nfs/dbraw/zinc/46/71/01/1342467101.db2.gz YWPBEAWLPXFTNS-UHFFFAOYSA-N 0 0 345.305 2.492 10 10 EECERN COc1ccc(C[NH2+][C@H](CO)CNC(=O)C=C2CCCCC2)cc1C ZINC001676510916 1357159605 /nfs/dbraw/zinc/15/96/05/1357159605.db2.gz JTVWZDYZOJZKQZ-SFHVURJKSA-N 0 0 346.471 2.461 10 10 EECERN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001593881024 1349873131 /nfs/dbraw/zinc/87/31/31/1349873131.db2.gz CFKZEVGADYVQSW-MRXNPFEDSA-N 0 0 341.363 2.447 10 10 EECERN CC(C)(C)OC(=O)NC1(CC(=O)NCc2c(O)cccc2O)CC1 ZINC001597574180 1349928119 /nfs/dbraw/zinc/92/81/19/1349928119.db2.gz JJYCWAOWYKNILL-UHFFFAOYSA-N 0 0 336.388 2.161 10 10 EECERN CCCC(=O)N[C@H](C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001678595795 1357534443 /nfs/dbraw/zinc/53/44/43/1357534443.db2.gz FVVIWEZPMVFGPR-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)OC[C@@H]1CCCCO1 ZINC001623574324 1352400420 /nfs/dbraw/zinc/40/04/20/1352400420.db2.gz MPWGESFMGCNISG-KGLIPLIRSA-N 0 0 342.432 2.468 10 10 EECERN COc1cc(N(C)C(=O)Cc2ccc(O)c(O)c2)cc(OC)c1OC ZINC001627926214 1352514638 /nfs/dbraw/zinc/51/46/38/1352514638.db2.gz ZRDJXRPLDNGWLC-UHFFFAOYSA-N 0 0 347.367 2.329 10 10 EECERN COc1ccc2[nH]c([C@@H](C)NC(=O)c3cccc(O)c3O)nc2c1 ZINC001633538732 1352611806 /nfs/dbraw/zinc/61/18/06/1352611806.db2.gz VIORDEAJGXWUNI-SECBINFHSA-N 0 0 327.340 2.474 10 10 EECERN O=C(NCc1cccc(O)c1O)c1nc(F)ccc1Br ZINC001643812357 1352752196 /nfs/dbraw/zinc/75/21/96/1352752196.db2.gz GRNCLYIAIHDFQW-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN C[C@@H](CNC(=O)c1cccc(O)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC001643822355 1352752507 /nfs/dbraw/zinc/75/25/07/1352752507.db2.gz PPTOGMDCIGTIGX-NSHDSACASA-N 0 0 349.408 2.035 10 10 EECERN C[C@@H](CN(C)C(=O)C1(C)CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001680021653 1357789309 /nfs/dbraw/zinc/78/93/09/1357789309.db2.gz LDDRUZVRIYTPNG-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN C[C@@H](NC(=O)COCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000843580657 759913388 /nfs/dbraw/zinc/91/33/88/759913388.db2.gz KDMJQVXTPXNVGX-CYBMUJFWSA-N 0 0 336.432 2.288 10 10 EECERN O=S(=O)(Cc1noc2c1CCCC2)N1Cc2cccc(O)c2C1 ZINC000918883507 769453039 /nfs/dbraw/zinc/45/30/39/769453039.db2.gz PECMUTVLXJKFHN-UHFFFAOYSA-N 0 0 334.397 2.105 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+](C[C@@H](O)CO)C(C)C)c1 ZINC000817417715 784768767 /nfs/dbraw/zinc/76/87/67/784768767.db2.gz ODSQANNANKAGSH-GFCCVEGCSA-N 0 0 332.238 2.027 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1nccc1N ZINC001135964868 784883160 /nfs/dbraw/zinc/88/31/60/784883160.db2.gz QZSBVHXZAVTXIZ-UHFFFAOYSA-N 0 0 327.432 2.114 10 10 EECERN Cc1cc(CC(=O)N(C)CC(=O)NC2CC2)c(C)n1-c1ccccc1 ZINC000819968662 785723902 /nfs/dbraw/zinc/72/39/02/785723902.db2.gz FKRVJLHAZISDFV-UHFFFAOYSA-N 0 0 339.439 2.374 10 10 EECERN O=C(NCCCSc1nccs1)c1cn(-c2cccnc2)nn1 ZINC001136661763 787515949 /nfs/dbraw/zinc/51/59/49/787515949.db2.gz OZCIGBMEFNVWAR-UHFFFAOYSA-N 0 0 346.441 2.031 10 10 EECERN C[C@@H]1[C@H](C)N(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)C(=O)N1C ZINC000912003181 787889596 /nfs/dbraw/zinc/88/95/96/787889596.db2.gz DCXCKPAZVPMHAP-UTLUCORTSA-N 0 0 348.424 2.392 10 10 EECERN CN(c1ccc(CNC(=O)[C@@H]2CN(C)C(=O)N2)cc1)C1CCCCC1 ZINC000824250711 788108680 /nfs/dbraw/zinc/10/86/80/788108680.db2.gz GNFLSGVCBKNJHY-KRWDZBQOSA-N 0 0 344.459 2.095 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3CCC(=O)[C@H](C)C3)C2)cc1 ZINC000922950258 788424934 /nfs/dbraw/zinc/42/49/34/788424934.db2.gz GRZHKWHUKZLLLT-HUUCEWRRSA-N 0 0 345.443 2.142 10 10 EECERN C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc(Br)c1[O-] ZINC000825130388 788450650 /nfs/dbraw/zinc/45/06/50/788450650.db2.gz XDVBQTQIDXJZNA-MFKMUULPSA-N 0 0 330.222 2.126 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1 ZINC000825130162 788450687 /nfs/dbraw/zinc/45/06/87/788450687.db2.gz OJLMFVBVZIHIMQ-BXUZGUMPSA-N 0 0 344.249 2.435 10 10 EECERN Cc1cc(C(=O)N2CCNC(=O)CC2(C)C)c(C)n1-c1ccccn1 ZINC000913068685 788593252 /nfs/dbraw/zinc/59/32/52/788593252.db2.gz KDBMJBGXNUGSMT-UHFFFAOYSA-N 0 0 340.427 2.230 10 10 EECERN O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1c(F)ccc(O)c1O ZINC000844149927 788879769 /nfs/dbraw/zinc/87/97/69/788879769.db2.gz TZWFAGVBQYUYGB-BXUZGUMPSA-N 0 0 332.331 2.282 10 10 EECERN C[C@H](CNC(=O)NCc1c(O)cccc1F)C(=O)OC(C)(C)C ZINC000923123118 788893774 /nfs/dbraw/zinc/89/37/74/788893774.db2.gz UQJVSTRPHUHXCB-SNVBAGLBSA-N 0 0 326.368 2.308 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H](C)[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000913482811 788932893 /nfs/dbraw/zinc/93/28/93/788932893.db2.gz XFSNRGYHCHYSOT-YOEHRIQHSA-N 0 0 348.443 2.168 10 10 EECERN COc1cc(CN2CCS(=O)(=O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000164351120 789155026 /nfs/dbraw/zinc/15/50/26/789155026.db2.gz OCOGKNCSOAYXEI-LBPRGKRZSA-N 0 0 341.473 2.317 10 10 EECERN COc1cc(Cl)cc(CN2CCOC[C@@H]2c2ccnn2C)c1O ZINC000846115421 790055096 /nfs/dbraw/zinc/05/50/96/790055096.db2.gz LSORVJAIEJXNAQ-CQSZACIVSA-N 0 0 337.807 2.361 10 10 EECERN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cccc(O)c2O)cc1F ZINC001147675848 791907256 /nfs/dbraw/zinc/90/72/56/791907256.db2.gz GBDFWRRDVRZMPL-VIFPVBQESA-N 0 0 349.314 2.430 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C(C)C)c1 ZINC000153851580 797509570 /nfs/dbraw/zinc/50/95/70/797509570.db2.gz YUGABHWAVXSNSK-WFASDCNBSA-N 0 0 334.416 2.225 10 10 EECERN Cc1onc(-c2cccnc2)c1C(=O)NCc1cc(O)ccc1O ZINC001176756120 798571061 /nfs/dbraw/zinc/57/10/61/798571061.db2.gz XOFFGCYHAYVAMF-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccnn1C ZINC000817553700 800919599 /nfs/dbraw/zinc/91/95/99/800919599.db2.gz JFPAIXLWZIWIOL-GDBMZVCRSA-N 0 0 343.427 2.437 10 10 EECERN CN(C)c1ccc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)cc1 ZINC000788530345 807581138 /nfs/dbraw/zinc/58/11/38/807581138.db2.gz YMAHJKFVHOZPCO-UHFFFAOYSA-N 0 0 338.455 2.208 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000789997077 808324889 /nfs/dbraw/zinc/32/48/89/808324889.db2.gz YGHPJVPUAZVDAG-CQSZACIVSA-N 0 0 333.315 2.156 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3nc(C)ns3)CC2)cc1 ZINC000790053488 808378437 /nfs/dbraw/zinc/37/84/37/808378437.db2.gz JMCKTPITLNWDLZ-UHFFFAOYSA-N 0 0 332.429 2.208 10 10 EECERN COc1cc(-n2cccc2)c(Cl)cc1C(=O)OCC(=O)C(C)=O ZINC000808512952 812682758 /nfs/dbraw/zinc/68/27/58/812682758.db2.gz TYQLTKJEQYAGBP-UHFFFAOYSA-N 0 0 335.743 2.454 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000808510797 812682766 /nfs/dbraw/zinc/68/27/66/812682766.db2.gz IOBHMWDEHOSZPG-RYUDHWBXSA-N 0 0 325.158 2.254 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2 ZINC000808515738 812686989 /nfs/dbraw/zinc/68/69/89/812686989.db2.gz OBRLTMMLPIICNK-UHFFFAOYSA-N 0 0 344.342 2.123 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000808550882 812696644 /nfs/dbraw/zinc/69/66/44/812696644.db2.gz VXVGFNHBHXXFLW-UHFFFAOYSA-N 0 0 342.229 2.070 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC000808532227 812702644 /nfs/dbraw/zinc/70/26/44/812702644.db2.gz OQDCIRJCGANFNZ-SJCJKPOMSA-N 0 0 341.404 2.161 10 10 EECERN CCCS(=O)(=O)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001440711517 1093958340 /nfs/dbraw/zinc/95/83/40/1093958340.db2.gz BTGBGGFWJCGIBO-UHFFFAOYSA-N 0 0 338.473 2.070 10 10 EECERN C[C@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)c1ccccc1O ZINC001454815408 1107709397 /nfs/dbraw/zinc/70/93/97/1107709397.db2.gz FGRDTRBZVUBVFP-BBATYDOGSA-N 0 0 326.352 2.359 10 10 EECERN O=C(Nc1cc(Br)c[nH]c1=O)c1c(F)ccc(O)c1O ZINC001457572925 1109675700 /nfs/dbraw/zinc/67/57/00/1109675700.db2.gz FXMUPXXLZWOVFG-UHFFFAOYSA-N 0 0 343.108 2.352 10 10 EECERN CCn1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1 ZINC001465841224 1110424825 /nfs/dbraw/zinc/42/48/25/1110424825.db2.gz QTHQKWCETWGFHQ-UHFFFAOYSA-N 0 0 326.356 2.439 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC(n2cc(Cl)cn2)CC1 ZINC001466387301 1110434741 /nfs/dbraw/zinc/43/47/41/1110434741.db2.gz MAMGEYCCDMNYNZ-UHFFFAOYSA-N 0 0 335.791 2.354 10 10 EECERN CCS(=O)(=O)c1ccc(C(=O)NCc2cc(C)ccc2O)c(N)c1 ZINC001470258307 1110503868 /nfs/dbraw/zinc/50/38/68/1110503868.db2.gz SEKLEJMYYZQWPG-UHFFFAOYSA-N 0 0 348.424 2.006 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001471096132 1110517139 /nfs/dbraw/zinc/51/71/39/1110517139.db2.gz NIUYWYYMQMSHIJ-NSHDSACASA-N 0 0 344.342 2.365 10 10 EECERN O=C(NCc1c(O)cccc1O)c1scnc1Br ZINC001472063048 1110540830 /nfs/dbraw/zinc/54/08/30/1110540830.db2.gz DLURWSYJAFJKDB-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN CC[S@@](=O)CCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001503292757 1113883952 /nfs/dbraw/zinc/88/39/52/1113883952.db2.gz AUHUUJHSSCAJBV-XMMPIXPASA-N 0 0 348.472 2.266 10 10 EECERN CCC1(C(=O)N[C@@H](C)CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001505407972 1113943001 /nfs/dbraw/zinc/94/30/01/1113943001.db2.gz KTFZDOZUMDIJHE-NSHDSACASA-N 0 0 345.403 2.274 10 10 EECERN Cc1nnc(N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001511871969 1118299235 /nfs/dbraw/zinc/29/92/35/1118299235.db2.gz CFJZMFGOQCWYSM-UHFFFAOYSA-N 0 0 345.422 2.211 10 10 EECERN COc1ccc(N2CCN(C(=O)c3ncc(Cl)cn3)CC2)cc1 ZINC001519585773 1119090151 /nfs/dbraw/zinc/09/01/51/1119090151.db2.gz LPDJFKGWXHNMME-UHFFFAOYSA-N 0 0 332.791 2.101 10 10 EECERN CC[C@H](C)C(=O)NCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001528758899 1121158850 /nfs/dbraw/zinc/15/88/50/1121158850.db2.gz ZFCWINGASBXONM-LBPRGKRZSA-N 0 0 347.419 2.473 10 10 EECERN CC(C)C(=O)NCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001529703685 1121546953 /nfs/dbraw/zinc/54/69/53/1121546953.db2.gz WVEBWSRBRNHCLX-UHFFFAOYSA-N 0 0 345.403 2.226 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cccc(Cn3cncn3)c2)cc1 ZINC001531321143 1122365847 /nfs/dbraw/zinc/36/58/47/1122365847.db2.gz OAXDDCAHTWFRNL-UHFFFAOYSA-N 0 0 335.411 2.322 10 10 EECERN COC(=O)c1ccnc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001531533225 1122442758 /nfs/dbraw/zinc/44/27/58/1122442758.db2.gz GYHSXFRFONYGAU-UHFFFAOYSA-N 0 0 332.703 2.310 10 10 EECERN CN(C)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)o1 ZINC001542302259 1124112094 /nfs/dbraw/zinc/11/20/94/1124112094.db2.gz NEPPAZDVSMOZEQ-UHFFFAOYSA-N 0 0 343.427 2.108 10 10 EECERN CCN(C)c1nnc(C)n1Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001547324761 1124229749 /nfs/dbraw/zinc/22/97/49/1124229749.db2.gz MTJDPOKWLDNAPE-UHFFFAOYSA-N 0 0 343.475 2.300 10 10 EECERN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnnc1 ZINC000132267056 237219916 /nfs/dbraw/zinc/21/99/16/237219916.db2.gz RBNCEABQUNIMBD-CYBMUJFWSA-N 0 0 348.353 2.477 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251541514 464935864 /nfs/dbraw/zinc/93/58/64/464935864.db2.gz DRLSGOHASNGHCE-KSZLIROESA-N 0 0 327.428 2.430 10 10 EECERN COC(=O)COc1ccc(N(C[C@H]2CCCO2)C[C@@H]2CCCO2)cc1 ZINC000060600790 462559982 /nfs/dbraw/zinc/55/99/82/462559982.db2.gz UIFCYNROMFOHTE-HDICACEKSA-N 0 0 349.427 2.403 10 10 EECERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075160138 462689041 /nfs/dbraw/zinc/68/90/41/462689041.db2.gz FYYLXYWGCJNKIY-GFCCVEGCSA-N 0 0 342.395 2.299 10 10 EECERN Cc1nc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cs1 ZINC000048353692 462899403 /nfs/dbraw/zinc/89/94/03/462899403.db2.gz PLIOOISKLNXKGB-OAHLLOKOSA-N 0 0 344.484 2.443 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCCCOC ZINC000136105842 463220331 /nfs/dbraw/zinc/22/03/31/463220331.db2.gz UEBMTWZTQIYVER-UHFFFAOYSA-N 0 0 328.478 2.331 10 10 EECERN COc1ccc(N2CCCN(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000056380650 463396908 /nfs/dbraw/zinc/39/69/08/463396908.db2.gz SEVUJDSZXKRHGM-UHFFFAOYSA-N 0 0 331.338 2.479 10 10 EECERN Cc1cc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)sc1C ZINC000040519939 463459965 /nfs/dbraw/zinc/45/99/65/463459965.db2.gz HEMSMOLTPNDOJN-UHFFFAOYSA-N 0 0 343.452 2.231 10 10 EECERN Cc1cnn(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000127288765 463694256 /nfs/dbraw/zinc/69/42/56/463694256.db2.gz WAFOQFKHNSISMP-UHFFFAOYSA-N 0 0 325.416 2.067 10 10 EECERN COCCCCS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000186272089 463966121 /nfs/dbraw/zinc/96/61/21/463966121.db2.gz UDLUCTWPPMMFOL-UHFFFAOYSA-N 0 0 326.462 2.133 10 10 EECERN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187794488 464162458 /nfs/dbraw/zinc/16/24/58/464162458.db2.gz BRPDGXBWVAHXAC-VHSXEESVSA-N 0 0 338.358 2.074 10 10 EECERN Cc1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c(O)c1O ZINC000272533003 464648201 /nfs/dbraw/zinc/64/82/01/464648201.db2.gz AXMSOIRHKYXICO-LBPRGKRZSA-N 0 0 342.399 2.352 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)c1 ZINC000273596378 464721253 /nfs/dbraw/zinc/72/12/53/464721253.db2.gz QRPLJSQNVDJHFK-CYBMUJFWSA-N 0 0 342.395 2.259 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176610365 464811163 /nfs/dbraw/zinc/81/11/63/464811163.db2.gz OCIGAIVIVMSGLI-CQSZACIVSA-N 0 0 329.404 2.440 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](C4CCOCC4)C3)cc2N1 ZINC000374352991 467042185 /nfs/dbraw/zinc/04/21/85/467042185.db2.gz QJGMRMYFMHJLMB-GFCCVEGCSA-N 0 0 347.371 2.179 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2CCOc3ccccc32)cc1 ZINC000297746985 490736314 /nfs/dbraw/zinc/73/63/14/490736314.db2.gz DMOKEARHUPUHKZ-UHFFFAOYSA-N 0 0 325.412 2.268 10 10 EECERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000191405804 534149528 /nfs/dbraw/zinc/14/95/28/534149528.db2.gz NFAUWESHLVIODH-YJBOKZPZSA-N 0 0 332.444 2.297 10 10 EECERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000101775194 527950479 /nfs/dbraw/zinc/95/04/79/527950479.db2.gz YZRBOOHVAAAVMO-INIZCTEOSA-N 0 0 346.475 2.343 10 10 EECERN COc1ccc(N2CCC(NC(=S)NC[C@H]3CCCO3)CC2)cc1 ZINC000726494227 576269664 /nfs/dbraw/zinc/26/96/64/576269664.db2.gz QLCZQEFJRAAWCU-QGZVFWFLSA-N 0 0 349.500 2.307 10 10 EECERN CNC(=O)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000772091502 577251111 /nfs/dbraw/zinc/25/11/11/577251111.db2.gz NNZMDSZLOXMEEJ-UHFFFAOYSA-N 0 0 329.400 2.011 10 10 EECERN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc(OCCO)c1 ZINC000773753455 577362799 /nfs/dbraw/zinc/36/27/99/577362799.db2.gz SMSBKCYHMNAYIJ-HYXAFXHYSA-N 0 0 329.352 2.429 10 10 EECERN COc1c([O-])c(C[NH2+]CCc2cnc(C3CC3)nc2)ccc1[N+](=O)[O-] ZINC000775038431 577427486 /nfs/dbraw/zinc/42/74/86/577427486.db2.gz GYZREGRKAPILBO-UHFFFAOYSA-N 0 0 344.371 2.309 10 10 EECERN COCc1nc(C(=O)NCc2cccc(Br)c2O)co1 ZINC000765765177 577506801 /nfs/dbraw/zinc/50/68/01/577506801.db2.gz OWIGVWVLDUXOPM-UHFFFAOYSA-N 0 0 341.161 2.219 10 10 EECERN CCN(Cc1cn(C)nn1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000761654839 577687176 /nfs/dbraw/zinc/68/71/76/577687176.db2.gz XXVXBVHYDUZUAE-UHFFFAOYSA-N 0 0 343.475 2.452 10 10 EECERN Cc1cc(C(=O)CN2C[C@H](O)C[C@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC000752310040 577768883 /nfs/dbraw/zinc/76/88/83/577768883.db2.gz JXJOOOPGGJEDGH-HDICACEKSA-N 0 0 342.439 2.013 10 10 EECERN COc1cc(C)cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1O ZINC000754738493 577811801 /nfs/dbraw/zinc/81/18/01/577811801.db2.gz DIQQCWBJCHLLCL-HOCLYGCPSA-N 0 0 339.457 2.251 10 10 EECERN Nc1c(C(=O)OCc2ccon2)ccc2c1C(=O)c1ccccc1C2=O ZINC000744474578 577898330 /nfs/dbraw/zinc/89/83/30/577898330.db2.gz VBHWSCGAXZHMFZ-UHFFFAOYSA-N 0 0 348.314 2.389 10 10 EECERN CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)C2=CC(=O)CS2)C1 ZINC000745002330 577906549 /nfs/dbraw/zinc/90/65/49/577906549.db2.gz IRBOSXPAUPICRD-NSHDSACASA-N 0 0 341.385 2.189 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000745833861 577919320 /nfs/dbraw/zinc/91/93/20/577919320.db2.gz DUPCTISNKSAFPN-MRXNPFEDSA-N 0 0 346.475 2.293 10 10 EECERN O=CNc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000746147524 577923111 /nfs/dbraw/zinc/92/31/11/577923111.db2.gz PJVNMAKDRLFNDN-UHFFFAOYSA-N 0 0 325.368 2.344 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)N(C)C2CC2)cc1F ZINC000736336317 578196751 /nfs/dbraw/zinc/19/67/51/578196751.db2.gz PGENETIKCDMDHF-UHFFFAOYSA-N 0 0 329.441 2.101 10 10 EECERN Cc1ncc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000177813915 676382994 /nfs/dbraw/zinc/38/29/94/676382994.db2.gz QTKGTAQMWIFTHV-UHFFFAOYSA-N 0 0 334.357 2.327 10 10 EECERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)Cc1ccccc1O ZINC000255380062 676761246 /nfs/dbraw/zinc/76/12/46/676761246.db2.gz FJSTWUIHITWPSF-CYBMUJFWSA-N 0 0 328.416 2.052 10 10 EECERN Cc1cc(Br)c(O)c(CN(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000781901357 679286461 /nfs/dbraw/zinc/28/64/61/679286461.db2.gz QVYBFJSRDQNHDM-NSHDSACASA-N 0 0 348.262 2.082 10 10 EECERN O=C1N(CC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H]2CCCCN12 ZINC000895345762 684521853 /nfs/dbraw/zinc/52/18/53/684521853.db2.gz SHRLFPYYRQOZNV-CYBMUJFWSA-N 0 0 325.359 2.050 10 10 EECERN COC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCO1 ZINC000897604945 691674214 /nfs/dbraw/zinc/67/42/14/691674214.db2.gz CBXKPNLGDXOKHF-ZWNOBZJWSA-N 0 0 337.397 2.236 10 10 EECERN CCCN1C[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000897994499 691835854 /nfs/dbraw/zinc/83/58/54/691835854.db2.gz YGHCOUPFWPGJAM-JTQLQIEISA-N 0 0 348.424 2.301 10 10 EECERN CO[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCOC1 ZINC000898580452 693382719 /nfs/dbraw/zinc/38/27/19/693382719.db2.gz KOTMWMVPBMDIFL-RNCFNFMXSA-N 0 0 337.397 2.094 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)c1cncn1C ZINC000898882728 693511136 /nfs/dbraw/zinc/51/11/36/693511136.db2.gz BHTYJVJTBSWFRA-ZDUSSCGKSA-N 0 0 344.440 2.353 10 10 EECERN CC(=O)N(C)c1ccc(NC(=O)N(C)Cc2ccccc2O)cn1 ZINC001625796989 1176114707 /nfs/dbraw/zinc/11/47/07/1176114707.db2.gz JUULBJYDTARTNI-UHFFFAOYSA-N 0 0 328.372 2.434 10 10 EECERN C[C@H](NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)c1ccccc1O ZINC001648891525 1176755428 /nfs/dbraw/zinc/75/54/28/1176755428.db2.gz ALGNUNFPMKAMNW-NSHDSACASA-N 0 0 348.362 2.372 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CC(c2ccccn2)=NO1 ZINC001128704677 1194980153 /nfs/dbraw/zinc/98/01/53/1194980153.db2.gz UOXPJXQGRGMXJP-LBPRGKRZSA-N 0 0 343.730 2.403 10 10 EECERN Cc1cc(CC(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000863752490 1197853951 /nfs/dbraw/zinc/85/39/51/1197853951.db2.gz YARGMQVEKUEZJS-SJLPKXTDSA-N 0 0 338.407 2.268 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)/C=C/COC2CCOCC2)cc1 ZINC000864634972 1197857508 /nfs/dbraw/zinc/85/75/08/1197857508.db2.gz VDINARXDRROBLD-SNAWJCMRSA-N 0 0 332.444 2.463 10 10 EECERN COC(=O)c1cc(OCC(=O)NCc2ccccc2)ccc1N(C)C ZINC000865396377 1198195975 /nfs/dbraw/zinc/19/59/75/1198195975.db2.gz QKHHMUFXOQRQQJ-UHFFFAOYSA-N 0 0 342.395 2.234 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C2CN(c3ccncn3)C2)c1 ZINC000865749366 1198359367 /nfs/dbraw/zinc/35/93/67/1198359367.db2.gz RBPPCKDZRDAFDV-UHFFFAOYSA-N 0 0 349.232 2.232 10 10 EECERN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[C@@H](C)O1 ZINC000865953008 1198435657 /nfs/dbraw/zinc/43/56/57/1198435657.db2.gz ANXDBDDOQJRNDX-CLCXKQKWSA-N 0 0 346.471 2.325 10 10 EECERN COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000825709741 1198769607 /nfs/dbraw/zinc/76/96/07/1198769607.db2.gz AMSTVAGOZSPJGZ-INTQDDNPSA-N 0 0 328.206 2.442 10 10 EECERN CC[C@@H]1CCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000813593568 1199102803 /nfs/dbraw/zinc/10/28/03/1199102803.db2.gz BSPQAHJQULLRBM-HZPDHXFCSA-N 0 0 344.459 2.082 10 10 EECERN CCCC(=O)NCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125280423 1199122717 /nfs/dbraw/zinc/12/27/17/1199122717.db2.gz HNUWPDOVOZSYCL-UHFFFAOYSA-N 0 0 330.384 2.430 10 10 EECERN Cc1cc(C(=O)NC[C@H](O)[C@@H](C)O)c(C)n1-c1ccc(Cl)cc1 ZINC000871127386 1201062727 /nfs/dbraw/zinc/06/27/27/1201062727.db2.gz CCKVTWTTZOLIFX-WBMJQRKESA-N 0 0 336.819 2.219 10 10 EECERN CCOC(=O)c1cnc(C)c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871203061 1201098294 /nfs/dbraw/zinc/09/82/94/1201098294.db2.gz LFONJSUFQNCMPN-UHFFFAOYSA-N 0 0 326.352 2.428 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(CC(C)C)CCNC2=O)c1 ZINC000866764459 1201600334 /nfs/dbraw/zinc/60/03/34/1201600334.db2.gz MRAMZEVWDURNNH-SGTLLEGYSA-N 0 0 334.416 2.130 10 10 EECERN CC(=O)c1cc(Cl)cc(Cn2cc(C3(F)COC3)nn2)c1O ZINC000880999324 1201619596 /nfs/dbraw/zinc/61/95/96/1201619596.db2.gz KXRAGNMDUMNZCE-UHFFFAOYSA-N 0 0 325.727 2.083 10 10 EECERN CCNC(=O)C1CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000121692676 1201638730 /nfs/dbraw/zinc/63/87/30/1201638730.db2.gz DPUFRYWPHFMDTM-UHFFFAOYSA-N 0 0 331.441 2.364 10 10 EECERN Cc1ccc(C(=O)N[C@@H](COC(N)=O)Cc2ccccc2)c(O)c1O ZINC001299384109 1205164949 /nfs/dbraw/zinc/16/49/49/1205164949.db2.gz HOZKIEYEAHUHTE-CYBMUJFWSA-N 0 0 344.367 2.257 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000925270803 1206088875 /nfs/dbraw/zinc/08/88/75/1206088875.db2.gz PGCIGSSDPIMZJM-QAPCUYQASA-N 0 0 344.411 2.362 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@]12CCO[C@H]1CCCC2 ZINC000930522804 1206564532 /nfs/dbraw/zinc/56/45/32/1206564532.db2.gz JHAZTTQWCWLAIT-ICSRJNTNSA-N 0 0 344.455 2.489 10 10 EECERN CN(CC1CN(S(C)(=O)=O)C1)c1ccc(-c2nccs2)cc1 ZINC000930709244 1206577363 /nfs/dbraw/zinc/57/73/63/1206577363.db2.gz CGLZDMKVMVFNIT-UHFFFAOYSA-N 0 0 337.470 2.138 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000934939791 1208061934 /nfs/dbraw/zinc/06/19/34/1208061934.db2.gz WOQXREXYKYWRFI-QWHCGFSZSA-N 0 0 335.400 2.124 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)C3(C)CC=CC3)cc2)CC1 ZINC000935569003 1208177872 /nfs/dbraw/zinc/17/78/72/1208177872.db2.gz IQEFXXWDLFLFCF-UHFFFAOYSA-N 0 0 341.455 2.328 10 10 EECERN CSC[C@H](CCO)NC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000305120913 1216149175 /nfs/dbraw/zinc/14/91/75/1216149175.db2.gz GWKJRUNXRUVXOR-LBPRGKRZSA-N 0 0 333.413 2.094 10 10 EECERN O=C(NCc1ccccc1O)c1ccncc1NC(=O)C(F)(F)F ZINC001137471565 1248669478 /nfs/dbraw/zinc/66/94/78/1248669478.db2.gz QYVDFDWRCYUFRD-UHFFFAOYSA-N 0 0 339.273 2.218 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1 ZINC001626156674 1229439689 /nfs/dbraw/zinc/43/96/89/1229439689.db2.gz YRCDHZWUQQEHFA-KBRIMQKVSA-N 0 0 349.427 2.488 10 10 EECERN COc1ccccc1[C@H](O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000900732465 1234725937 /nfs/dbraw/zinc/72/59/37/1234725937.db2.gz LJTIETWZDOIOKU-SFHVURJKSA-N 0 0 328.412 2.419 10 10 EECERN O=C(c1nnc(C2CC2)o1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000901178375 1235325870 /nfs/dbraw/zinc/32/58/70/1235325870.db2.gz WHJDCMJKIURWIL-CQSZACIVSA-N 0 0 343.383 2.474 10 10 EECERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000850395180 1277213341 /nfs/dbraw/zinc/21/33/41/1277213341.db2.gz DHDKXUKKAWXGTG-IAGOWNOFSA-N 0 0 347.415 2.033 10 10 EECERN COc1ccc(N(C)CC2=NS(=O)(=O)c3ccccc32)cc1F ZINC001191890775 1281692244 /nfs/dbraw/zinc/69/22/44/1281692244.db2.gz BWQIQDFZLKNFGG-UHFFFAOYSA-N 0 0 334.372 2.462 10 10 EECERN C[C@H](CN(C)C(=O)C1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001487690674 1286286261 /nfs/dbraw/zinc/28/62/61/1286286261.db2.gz OIMSDCVYGZQXTD-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN COc1ccc(N(Cc2coc(S(N)(=O)=O)c2)C(C)C)cc1F ZINC000851835825 1291875351 /nfs/dbraw/zinc/87/53/51/1291875351.db2.gz HMTRNHVAJGBEIG-UHFFFAOYSA-N 0 0 342.392 2.490 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2COC[C@H]2C1 ZINC000852138634 1292008542 /nfs/dbraw/zinc/00/85/42/1292008542.db2.gz QGLKWZBRJFEABH-DLBZAZTESA-N 0 0 327.428 2.241 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccnc3F)C2)cc1 ZINC000852292102 1292078377 /nfs/dbraw/zinc/07/83/77/1292078377.db2.gz BLGFHJJKTBXVBC-CQSZACIVSA-N 0 0 344.390 2.307 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C)[C@@H](OC)C3)C2)cc1 ZINC000852451976 1292117569 /nfs/dbraw/zinc/11/75/69/1292117569.db2.gz RXIDBDCHGMNREK-VKJFTORMSA-N 0 0 347.459 2.340 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[C@@H]3CCO)C2)cc1 ZINC000854008947 1292581465 /nfs/dbraw/zinc/58/14/65/1292581465.db2.gz XAYPDBKVUKHSDN-VKJFTORMSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCC[C@@H]3O)C2)cc1 ZINC000854296849 1292708347 /nfs/dbraw/zinc/70/83/47/1292708347.db2.gz HCSFJTCHQWCKGC-RKVPGOIHSA-N 0 0 347.459 2.124 10 10 EECERN CCC(O)(CC)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301636 1292712024 /nfs/dbraw/zinc/71/20/24/1292712024.db2.gz RCHPTIJOSACNAR-AWEZNQCLSA-N 0 0 335.448 2.124 10 10 EECERN CCN(C[C@@H]1CCOC1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302352 1292712662 /nfs/dbraw/zinc/71/26/62/1292712662.db2.gz ZJCNNSCTQNEZJR-HOTGVXAUSA-N 0 0 347.459 2.342 10 10 EECERN Cc1cc(CC(=O)NC[C@]2(C)CCC(=O)N2)c(C)n1-c1ccccc1 ZINC000854900259 1292985858 /nfs/dbraw/zinc/98/58/58/1292985858.db2.gz UFUPCRXXKWLIIR-FQEVSTJZSA-N 0 0 339.439 2.422 10 10 EECERN CCOC(CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OCC ZINC000855225040 1293117893 /nfs/dbraw/zinc/11/78/93/1293117893.db2.gz IAKKGXQUFQBCNC-AWEZNQCLSA-N 0 0 336.432 2.179 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ncc(C)cc3OC)C2)cc1 ZINC000855226894 1293118751 /nfs/dbraw/zinc/11/87/51/1293118751.db2.gz UCYRQWWXYSNOMI-AWEZNQCLSA-N 0 0 341.411 2.416 10 10 EECERN CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209483 1293445387 /nfs/dbraw/zinc/44/53/87/1293445387.db2.gz PHKLQGXJSAAHIX-YWZLYKJASA-N 0 0 344.455 2.079 10 10 EECERN O=S1(=O)Cc2ccccc2[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000857060896 1293710152 /nfs/dbraw/zinc/71/01/52/1293710152.db2.gz FUWOFRVKLRTNGH-KRWDZBQOSA-N 0 0 329.421 2.381 10 10 EECERN C[C@H]1CC[C@H](NCc2cc(F)c(N(C)C)cc2F)CS1(=O)=O ZINC000858188737 1294037995 /nfs/dbraw/zinc/03/79/95/1294037995.db2.gz BCKLWIQNDFKSIB-JQWIXIFHSA-N 0 0 332.416 2.086 10 10 EECERN Cc1cc(CNC(=O)[C@H](O)C2CCOCC2)c(C)n1-c1ccccc1 ZINC000863165575 1296135725 /nfs/dbraw/zinc/13/57/25/1296135725.db2.gz GEMRKVIYQWCORR-LJQANCHMSA-N 0 0 342.439 2.498 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CCC(=O)NC2)cc1 ZINC000798363280 1304985805 /nfs/dbraw/zinc/98/58/05/1304985805.db2.gz XSJWFVUSGBEOPF-LJQANCHMSA-N 0 0 331.460 2.408 10 10 EECERN Cc1ccncc1N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000799058394 1305145288 /nfs/dbraw/zinc/14/52/88/1305145288.db2.gz PQDKVRHMSZBEEJ-HYXAFXHYSA-N 0 0 339.395 2.163 10 10 EECERN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001139200331 1314716699 /nfs/dbraw/zinc/71/66/99/1314716699.db2.gz GFSVCCMITHLWHT-SFHVURJKSA-N 0 0 335.400 2.078 10 10 EECERN COCCn1nnc2c1CCN(Cc1c(O)cc(C)cc1Cl)C2 ZINC000840948974 1315444155 /nfs/dbraw/zinc/44/41/55/1315444155.db2.gz KUMNEVDQRXHKSK-UHFFFAOYSA-N 0 0 336.823 2.150 10 10 EECERN CCc1cc(O)ccc1NS(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000842587290 1315727114 /nfs/dbraw/zinc/72/71/14/1315727114.db2.gz BYMDQQNRNAMRIK-MRXNPFEDSA-N 0 0 343.445 2.138 10 10 EECERN CCCCC(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284498623 1326587380 /nfs/dbraw/zinc/58/73/80/1326587380.db2.gz XOMJMPAEKQEEEP-UHFFFAOYSA-N 0 0 333.392 2.227 10 10 EECERN CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001287890421 1327558750 /nfs/dbraw/zinc/55/87/50/1327558750.db2.gz YFQFAJLTPOAZLO-FZMZJTMJSA-N 0 0 345.403 2.368 10 10 EECERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001291596150 1328309005 /nfs/dbraw/zinc/30/90/05/1328309005.db2.gz AGWIYGWUAJJJSD-VIFPVBQESA-N 0 0 327.340 2.100 10 10 EECERN CC(C)CC(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295537999 1329819998 /nfs/dbraw/zinc/81/99/98/1329819998.db2.gz DOBAMEZOHYRQCE-LLVKDONJSA-N 0 0 333.392 2.130 10 10 EECERN O=C(CCCn1c(=O)oc2ccccc21)NCc1c(O)cccc1O ZINC001304050660 1331374606 /nfs/dbraw/zinc/37/46/06/1331374606.db2.gz PLMBHLLSCFPPBX-UHFFFAOYSA-N 0 0 342.351 2.102 10 10 EECERN O=C(NCc1c(O)cccc1O)C1([C@H]2CCCCO2)CCOCC1 ZINC001304053740 1331375324 /nfs/dbraw/zinc/37/53/24/1331375324.db2.gz REWGAWMPMGAKBL-MRXNPFEDSA-N 0 0 335.400 2.080 10 10 EECERN C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1[N+](=O)[O-] ZINC001304194309 1331381834 /nfs/dbraw/zinc/38/18/34/1331381834.db2.gz VYWRCIDPUBBSNQ-NSHDSACASA-N 0 0 330.340 2.468 10 10 EECERN CCOc1ccc(N2CCN(C(=O)/C=C\[C@H]3CCCO3)CC2)cc1 ZINC001326159508 1334034616 /nfs/dbraw/zinc/03/46/16/1334034616.db2.gz JGWCWCNLJBZEQS-DOOKAGJSSA-N 0 0 330.428 2.469 10 10 EECERN COC[C@]1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC001328687996 1334499920 /nfs/dbraw/zinc/49/99/20/1334499920.db2.gz FRDJJEZFDQMFDC-IBGZPJMESA-N 0 0 347.459 2.234 10 10 EECERN O=C(C(=O)N1Cc2cccc(O)c2C1)N(Cc1cccs1)C1CC1 ZINC001329404930 1334642744 /nfs/dbraw/zinc/64/27/44/1334642744.db2.gz NRLTVDLWYDCXAO-UHFFFAOYSA-N 0 0 342.420 2.487 10 10 EECERN O=C(C(=O)N1CCC(c2ccco2)CC1)N1Cc2cccc(O)c2C1 ZINC001332073739 1335720593 /nfs/dbraw/zinc/72/05/93/1335720593.db2.gz JYZWYHYTMZGMKE-UHFFFAOYSA-N 0 0 340.379 2.234 10 10 EECERN C[C@@H]1CC=CC[C@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001332803167 1335909850 /nfs/dbraw/zinc/90/98/50/1335909850.db2.gz LSIWZDRYNFPEDZ-RHSMWYFYSA-N 0 0 341.455 2.156 10 10 EECERN O=C(C(=O)N1CCC(C(F)(F)F)CC1)N1Cc2cccc(O)c2C1 ZINC001335548035 1336393621 /nfs/dbraw/zinc/39/36/21/1336393621.db2.gz OBWGJPABAWTBJL-UHFFFAOYSA-N 0 0 342.317 2.035 10 10 EECERN O=C(NCC[C@H]1CCCC1(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC001338883913 1336925957 /nfs/dbraw/zinc/92/59/57/1336925957.db2.gz NAMZOHXATGWYCL-GFCCVEGCSA-N 0 0 338.354 2.176 10 10 EECERN CCOC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC001339067748 1336953254 /nfs/dbraw/zinc/95/32/54/1336953254.db2.gz DRFPUMGZDPMPNQ-AWEZNQCLSA-N 0 0 335.381 2.384 10 10 EECERN C[C@H](NC(=O)Nc1ccc[n+]([O-])c1)c1ccc(N2CCOCC2)cc1 ZINC001345917893 1337474652 /nfs/dbraw/zinc/47/46/52/1337474652.db2.gz YORBSHPXUMLMBA-AWEZNQCLSA-N 0 0 342.399 2.039 10 10 EECERN COC12CCC(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)(CC1)C(=O)C2 ZINC001351745374 1337843770 /nfs/dbraw/zinc/84/37/70/1337843770.db2.gz ODILBPVFBIEFDZ-PIHIASKNSA-N 0 0 347.411 2.063 10 10 EECERN CCN(CC)c1ccc(CN2CCN(c3nncn3C)CC2)cc1F ZINC000848924871 1338807773 /nfs/dbraw/zinc/80/77/73/1338807773.db2.gz FLKZQNVTHBTSTN-UHFFFAOYSA-N 0 0 346.454 2.123 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N2CC3CC2(C3)C1=O ZINC000849357430 1339154236 /nfs/dbraw/zinc/15/42/36/1339154236.db2.gz PEGINKPBACHMLH-VFPJAPOESA-N 0 0 327.428 2.419 10 10 EECERN CCOC(=O)[C@]1(NC(=O)c2cccc(O)c2O)CCc2ccccc21 ZINC001617865590 1352345685 /nfs/dbraw/zinc/34/56/85/1352345685.db2.gz YHYFCSCPJYVPFD-IBGZPJMESA-N 0 0 341.363 2.232 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCCn1cnc2ccccc21 ZINC001618823498 1352354112 /nfs/dbraw/zinc/35/41/12/1352354112.db2.gz RRTMMDLDZSGVTK-UHFFFAOYSA-N 0 0 325.368 2.197 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC001557084577 1342440697 /nfs/dbraw/zinc/44/06/97/1342440697.db2.gz GHOFMWADHORYBV-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](c3ncon3)C2)cc1 ZINC001558450982 1342477472 /nfs/dbraw/zinc/47/74/72/1342477472.db2.gz WWRDJCBPVUJWTF-NSHDSACASA-N 0 0 328.332 2.252 10 10 EECERN COC(=O)N[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001570016660 1343001017 /nfs/dbraw/zinc/00/10/17/1343001017.db2.gz BGUHEHRYGGLCTD-NSHDSACASA-N 0 0 339.355 2.079 10 10 EECERN CC(C)C(=O)NCC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001571739635 1343297036 /nfs/dbraw/zinc/29/70/36/1343297036.db2.gz MXJFUCRQUAZFPO-UHFFFAOYSA-N 0 0 345.403 2.130 10 10 EECERN O=C(NC[C@H](CO)Cc1ccco1)c1cc2cc(O)c(O)cc2s1 ZINC001625271185 1352444728 /nfs/dbraw/zinc/44/47/28/1352444728.db2.gz WLGGYCNHIODOJZ-SNVBAGLBSA-N 0 0 347.392 2.487 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](O)CCc1ccccc1 ZINC001627029338 1352480934 /nfs/dbraw/zinc/48/09/34/1352480934.db2.gz YWWWPUIKHNRMMS-OAHLLOKOSA-N 0 0 334.412 2.488 10 10 EECERN CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001632250575 1352595364 /nfs/dbraw/zinc/59/53/64/1352595364.db2.gz WQJQJXNYQHWFTN-LBPRGKRZSA-N 0 0 348.424 2.181 10 10 EECERN Cn1cccc1[C@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001633759658 1352616973 /nfs/dbraw/zinc/61/69/73/1352616973.db2.gz OSIUWTRANTUROM-KEDPEKRHSA-N 0 0 328.368 2.050 10 10 EECERN O=C(Nc1n[nH]cc1-c1ccc2c(c1)OCO2)c1cccc(O)c1O ZINC001634494287 1352629862 /nfs/dbraw/zinc/62/98/62/1352629862.db2.gz ZXOSISDATPLCRM-UHFFFAOYSA-N 0 0 339.307 2.469 10 10 EECERN CC(=O)NCc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001641223787 1352719841 /nfs/dbraw/zinc/71/98/41/1352719841.db2.gz ABAKCXQIQPXRHE-VQHVLOKHSA-N 0 0 340.379 2.064 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCOCC1CC1 ZINC001643244625 1352743457 /nfs/dbraw/zinc/74/34/57/1352743457.db2.gz BLDNSWOQWUXYAI-UHFFFAOYSA-N 0 0 335.400 2.101 10 10 EECERN Cc1ccc(NC(=O)N(C)C)c(C(=O)NCc2cc(O)ccc2O)c1 ZINC001644754389 1352768855 /nfs/dbraw/zinc/76/88/55/1352768855.db2.gz VHSIACHWRXLTAA-UHFFFAOYSA-N 0 0 343.383 2.430 10 10 EECERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c(F)ccc(O)c1O ZINC001651010994 1354037065 /nfs/dbraw/zinc/03/70/65/1354037065.db2.gz MRKSMJUTSFKCPQ-UHFFFAOYSA-N 0 0 334.303 2.460 10 10 EECERN COC(=O)c1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ncn1 ZINC001651344704 1354049491 /nfs/dbraw/zinc/04/94/91/1354049491.db2.gz NXVYDZSMEADKKX-UHFFFAOYSA-N 0 0 335.367 2.433 10 10 EECERN C[C@@H](C(=O)NCc1c(O)cccc1O)n1ccc2ccccc2c1=O ZINC001652625715 1354097402 /nfs/dbraw/zinc/09/74/02/1354097402.db2.gz JRHIGEDPPFRTGH-LBPRGKRZSA-N 0 0 338.363 2.290 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CCN(c2cccc(F)c2)CC1 ZINC001654763128 1354156809 /nfs/dbraw/zinc/15/68/09/1354156809.db2.gz JWBXHRQIDCRPBN-UHFFFAOYSA-N 0 0 334.322 2.338 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1cn(C)cn1 ZINC001687827181 1358636023 /nfs/dbraw/zinc/63/60/23/1358636023.db2.gz GGJGGBVNQGIWCG-UHFFFAOYSA-N 0 0 327.432 2.362 10 10 EECERN COC(=O)c1ccc(O)c([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)c1 ZINC000840830166 783023696 /nfs/dbraw/zinc/02/36/96/783023696.db2.gz MTZMEYUTFOXYTB-MRXNPFEDSA-N 0 0 338.363 2.346 10 10 EECERN Cc1ccn2ncc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2n1 ZINC000068674634 774785678 /nfs/dbraw/zinc/78/56/78/774785678.db2.gz SYHPFGFDTPWARH-UHFFFAOYSA-N 0 0 327.363 2.173 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)COCC(=O)OC(C)(C)C)cc1 ZINC000843758240 781357044 /nfs/dbraw/zinc/35/70/44/781357044.db2.gz MBXXMMPOVDJECY-UHFFFAOYSA-N 0 0 336.432 2.069 10 10 EECERN CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816520104 784065661 /nfs/dbraw/zinc/06/56/61/784065661.db2.gz GPFFXIYMIHXAAS-UHFFFAOYSA-N 0 0 344.814 2.302 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1coc2c1C(=O)NCCC2 ZINC000906713608 784096381 /nfs/dbraw/zinc/09/63/81/784096381.db2.gz BIWLVVLQISSKPJ-UHFFFAOYSA-N 0 0 341.411 2.260 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(C(C)(C)C)C1=O ZINC000907272702 784489584 /nfs/dbraw/zinc/48/95/84/784489584.db2.gz HUNQQENJNWNYGF-OCCSQVGLSA-N 0 0 348.443 2.182 10 10 EECERN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001135957601 784875960 /nfs/dbraw/zinc/87/59/60/784875960.db2.gz MHCDEJBHFWQWCU-UHFFFAOYSA-N 0 0 348.786 2.391 10 10 EECERN Cc1cc(CCNC(=O)Cc2cnnn2C)c(C)n1-c1ccccc1 ZINC000820004545 785760500 /nfs/dbraw/zinc/76/05/00/785760500.db2.gz AHTGWBOYCUFDFL-UHFFFAOYSA-N 0 0 337.427 2.124 10 10 EECERN COC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001136383343 786487837 /nfs/dbraw/zinc/48/78/37/786487837.db2.gz HMYXYOLDJMUMQK-CQSZACIVSA-N 0 0 347.342 2.200 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1 ZINC000820879326 786511154 /nfs/dbraw/zinc/51/11/54/786511154.db2.gz QDZYETSFFWOTNW-JKSUJKDBSA-N 0 0 349.427 2.489 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[C@@H]1C1CC1 ZINC000823524141 787786449 /nfs/dbraw/zinc/78/64/49/787786449.db2.gz PAUQARAUECYWAL-GOSISDBHSA-N 0 0 329.444 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N(C)C[C@H]3CCCO3)C2)cc1 ZINC000823725359 787911301 /nfs/dbraw/zinc/91/13/01/787911301.db2.gz BGMRJMOBUUILHU-MAUKXSAKSA-N 0 0 347.459 2.342 10 10 EECERN C[C@H](NC(=O)Cc1ccc(=O)[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000823834649 787956060 /nfs/dbraw/zinc/95/60/60/787956060.db2.gz LQJUZPIWYYZKRJ-AWEZNQCLSA-N 0 0 341.411 2.044 10 10 EECERN CCc1nnc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000912292093 788090086 /nfs/dbraw/zinc/09/00/86/788090086.db2.gz JIICSMNDWGMPRU-NSHDSACASA-N 0 0 332.429 2.118 10 10 EECERN CCc1nsc(N2CCN(Cc3cc(C)cc(OC)c3O)CC2)n1 ZINC000164426877 789193655 /nfs/dbraw/zinc/19/36/55/789193655.db2.gz SKXDSQIEHZWBGI-UHFFFAOYSA-N 0 0 348.472 2.445 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)NCc2cscn2)cc1 ZINC000844936897 789475111 /nfs/dbraw/zinc/47/51/11/789475111.db2.gz PZLWNRNXVSBFTP-UHFFFAOYSA-N 0 0 334.445 2.430 10 10 EECERN CCON(C)C(=O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000846503689 790206001 /nfs/dbraw/zinc/20/60/01/790206001.db2.gz AGCHVHQDBAPIJC-UHFFFAOYSA-N 0 0 335.429 2.295 10 10 EECERN COCCN(Cc1nnc(OC)s1)c1ccc(OC)c(OC)c1 ZINC000929995574 798343460 /nfs/dbraw/zinc/34/34/60/798343460.db2.gz HSSBEMGZQKHEKS-UHFFFAOYSA-N 0 0 339.417 2.217 10 10 EECERN CN1CCCC[C@H](C(=O)NCc2c(O)ccc3ccccc32)C1=O ZINC001179032438 799758941 /nfs/dbraw/zinc/75/89/41/799758941.db2.gz GVXHBQKKXLOLKB-OAHLLOKOSA-N 0 0 326.396 2.420 10 10 EECERN COCCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCOC1 ZINC000787124362 807023709 /nfs/dbraw/zinc/02/37/09/807023709.db2.gz DRTYHMZRQSZRND-QGZVFWFLSA-N 0 0 347.459 2.016 10 10 EECERN CNC(=O)CCOC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792168359 809632995 /nfs/dbraw/zinc/63/29/95/809632995.db2.gz FDMMRJQYRRUXME-UHFFFAOYSA-N 0 0 344.814 2.302 10 10 EECERN CCOc1cc2c(cc1C=CC(=O)OCC(=O)C(C)=O)O[C@@H](C)C2 ZINC000808486374 812658070 /nfs/dbraw/zinc/65/80/70/812658070.db2.gz PVYAPHYHHUSCKR-QRGHLMKCSA-N 0 0 332.352 2.123 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000808504552 812676330 /nfs/dbraw/zinc/67/63/30/812676330.db2.gz HGTMAESTXCZLTI-GFCCVEGCSA-N 0 0 346.408 2.214 10 10 EECERN CCc1ccc(-n2nc(C(=O)OCC(=O)C(C)=O)c3c2CCC3)cc1 ZINC000808515812 812687010 /nfs/dbraw/zinc/68/70/10/812687010.db2.gz PHTIKJIKAPYALH-UHFFFAOYSA-N 0 0 340.379 2.238 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O ZINC000808546866 812715081 /nfs/dbraw/zinc/71/50/81/812715081.db2.gz ABYISTLSHCMTMO-UHFFFAOYSA-N 0 0 330.340 2.016 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000808547637 812716499 /nfs/dbraw/zinc/71/64/99/812716499.db2.gz PCLHYAYXZBKQEC-UHFFFAOYSA-N 0 0 338.410 2.273 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccncc1NC(C)=O ZINC001449128964 1094122344 /nfs/dbraw/zinc/12/23/44/1094122344.db2.gz YNJTVNZZODDOSA-UHFFFAOYSA-N 0 0 334.372 2.161 10 10 EECERN CCn1c(CCNC(=O)Cc2ccc(O)c(O)c2)nc2ccccc21 ZINC001443225143 1097682541 /nfs/dbraw/zinc/68/25/41/1097682541.db2.gz KEJGCMHVGJLMKB-UHFFFAOYSA-N 0 0 339.395 2.369 10 10 EECERN CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@]2(CCOC2)O1 ZINC001448273846 1104297290 /nfs/dbraw/zinc/29/72/90/1104297290.db2.gz FTZCOFMMZXUSLH-QGZVFWFLSA-N 0 0 346.387 2.259 10 10 EECERN C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC001454802724 1107683833 /nfs/dbraw/zinc/68/38/33/1107683833.db2.gz DFHUDRFWPAUPAD-VXGBXAGGSA-N 0 0 338.363 2.254 10 10 EECERN C[N@H+](CCNC(=O)c1c(F)ccc(O)c1O)Cc1ccc(F)cc1 ZINC001457696130 1109734466 /nfs/dbraw/zinc/73/44/66/1109734466.db2.gz QBXSCCJCEJZXNK-UHFFFAOYSA-N 0 0 336.338 2.238 10 10 EECERN COC(=O)C1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001464981520 1110408886 /nfs/dbraw/zinc/40/88/86/1110408886.db2.gz OSUGZNBECQZZLI-UHFFFAOYSA-N 0 0 332.360 2.311 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc(=O)c2ccc(F)cc2o1 ZINC001469159764 1110486056 /nfs/dbraw/zinc/48/60/56/1110486056.db2.gz NGANYHNCMVHCKQ-UHFFFAOYSA-N 0 0 329.283 2.273 10 10 EECERN COc1ccc(-n2cc(C(=O)N3Cc4cccc(O)c4C3)nn2)cc1 ZINC001471358808 1110521379 /nfs/dbraw/zinc/52/13/79/1110521379.db2.gz ORXNWQBTHPUTPT-UHFFFAOYSA-N 0 0 336.351 2.138 10 10 EECERN O=C(NCc1cccc(O)c1O)c1nc(Br)ccc1F ZINC001471642275 1110526822 /nfs/dbraw/zinc/52/68/22/1110526822.db2.gz QNISIUJAIUKWMA-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN CNC(=O)c1cccc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)c1 ZINC001471959824 1110536352 /nfs/dbraw/zinc/53/63/52/1110536352.db2.gz HCVKVSOSGABLAP-UHFFFAOYSA-N 0 0 349.394 2.118 10 10 EECERN COc1ccc(Cl)cc1NCC(=O)NCc1c(O)cccc1O ZINC001472064446 1110540713 /nfs/dbraw/zinc/54/07/13/1110540713.db2.gz WZBZCWJVKQRJGG-UHFFFAOYSA-N 0 0 336.775 2.488 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1c2ccccc2CC[C@H]1O ZINC001472068684 1110541323 /nfs/dbraw/zinc/54/13/23/1110541323.db2.gz MERSYMZMMWVSQJ-PLELFIILSA-N 0 0 325.364 2.276 10 10 EECERN Cc1oc(S(C)(=O)=O)cc1C(=O)NCc1cccc(Cl)c1O ZINC001472317138 1110551595 /nfs/dbraw/zinc/55/15/95/1110551595.db2.gz XBHARUTZNDKLTK-UHFFFAOYSA-N 0 0 343.788 2.281 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](C3OCCO3)C2)cc1 ZINC001546271060 1112493175 /nfs/dbraw/zinc/49/31/75/1112493175.db2.gz QNTBJBVNMNXXHW-GFCCVEGCSA-N 0 0 332.360 2.074 10 10 EECERN CCCCC(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001526395623 1120512555 /nfs/dbraw/zinc/51/25/55/1120512555.db2.gz UXJCTVXXEVDEEQ-NSHDSACASA-N 0 0 333.392 2.274 10 10 EECERN CN(CCNC(=O)C1CC=CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001528004173 1120929222 /nfs/dbraw/zinc/92/92/22/1120929222.db2.gz SVFYEIXMRVXWNN-UHFFFAOYSA-N 0 0 343.387 2.003 10 10 EECERN CC(C)C[C@H](NCC(F)(F)F)C(=O)NCc1cccc(O)c1O ZINC001528770586 1121162881 /nfs/dbraw/zinc/16/28/81/1121162881.db2.gz ASLCHUVSGIGMOY-NSHDSACASA-N 0 0 334.338 2.281 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cc(F)ccc1N1CCOCC1 ZINC001528771317 1121163137 /nfs/dbraw/zinc/16/31/37/1121163137.db2.gz NFMAMSFVWBFRLB-UHFFFAOYSA-N 0 0 346.358 2.004 10 10 EECERN CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C(C)C ZINC001531264100 1122338367 /nfs/dbraw/zinc/33/83/67/1122338367.db2.gz ODVHTSFCHZALIQ-LBPRGKRZSA-N 0 0 333.392 2.130 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(N2CCOCC2)CC1 ZINC001540567642 1124086860 /nfs/dbraw/zinc/08/68/60/1124086860.db2.gz UJERHFFUFWYMQL-UHFFFAOYSA-N 0 0 343.471 2.110 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCc2nncn2C1 ZINC001540567504 1124086872 /nfs/dbraw/zinc/08/68/72/1124086872.db2.gz OJXJAQFCEOOPGW-MRXNPFEDSA-N 0 0 339.443 2.099 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C2=CS(=O)(=O)CCC2)cc1 ZINC001542089616 1124110212 /nfs/dbraw/zinc/11/02/12/1124110212.db2.gz VJIBBJQFBCCWDI-UHFFFAOYSA-N 0 0 336.457 2.242 10 10 EECERN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c(O)c1 ZINC000005100521 210390079 /nfs/dbraw/zinc/39/00/79/210390079.db2.gz DVTAEQVTEWKDRK-OAHLLOKOSA-N 0 0 345.424 2.304 10 10 EECERN CNC(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nn1 ZINC000074738812 462628586 /nfs/dbraw/zinc/62/85/86/462628586.db2.gz SDTSMCVEZAAEJF-UHFFFAOYSA-N 0 0 334.383 2.006 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C(=O)NCC)C1 ZINC000120424621 462998275 /nfs/dbraw/zinc/99/82/75/462998275.db2.gz YIDACWWGIMEKDR-OAHLLOKOSA-N 0 0 348.447 2.118 10 10 EECERN CCc1noc([C@H](C)N2CCN(Cc3cccc(OC)c3O)CC2)n1 ZINC000121400367 463129483 /nfs/dbraw/zinc/12/94/83/463129483.db2.gz TYNJHKNVSVFSKY-ZDUSSCGKSA-N 0 0 346.431 2.225 10 10 EECERN C[C@@H](CN1CCCC1=O)NC(=O)/C=C\c1ccc2c(c1)CCCN2C ZINC000096400955 463236908 /nfs/dbraw/zinc/23/69/08/463236908.db2.gz WZJPHEKPHALAMW-WWRUEGTHSA-N 0 0 341.455 2.209 10 10 EECERN CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000136858873 463261671 /nfs/dbraw/zinc/26/16/71/463261671.db2.gz GOHQMFCMNVHDNP-INIZCTEOSA-N 0 0 334.464 2.247 10 10 EECERN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cccc(O)c1O ZINC000185660158 463858734 /nfs/dbraw/zinc/85/87/34/463858734.db2.gz AELTUQJXUTYQCL-AWEZNQCLSA-N 0 0 326.352 2.023 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C2CC2)n1 ZINC000293148084 464388510 /nfs/dbraw/zinc/38/85/10/464388510.db2.gz SFEJKSBFKUEZJS-UHFFFAOYSA-N 0 0 325.368 2.262 10 10 EECERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)no1 ZINC000182369089 464636928 /nfs/dbraw/zinc/63/69/28/464636928.db2.gz ADRFQCRMSDCICD-LBPRGKRZSA-N 0 0 331.372 2.193 10 10 EECERN COc1ccc(O)c(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000375262018 466834062 /nfs/dbraw/zinc/83/40/62/466834062.db2.gz MJUNCASGIZVUQJ-MRXNPFEDSA-N 0 0 331.416 2.325 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000374189166 467030922 /nfs/dbraw/zinc/03/09/22/467030922.db2.gz GZRQMYYFIIRMDS-FVQBIDKESA-N 0 0 345.443 2.323 10 10 EECERN Cn1cc([C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(F)(F)F)cn1 ZINC000773851224 577368772 /nfs/dbraw/zinc/36/87/72/577368772.db2.gz VVUYGJAQCLZCSC-KQIUPUNMSA-N 0 0 341.289 2.264 10 10 EECERN COc1ccc2c(c1)CCCCN2C[C@@H](O)COC[C@H]1CCCO1 ZINC000766273081 577516286 /nfs/dbraw/zinc/51/62/86/577516286.db2.gz TYFJXAFDALFLFH-SJLPKXTDSA-N 0 0 335.444 2.394 10 10 EECERN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccccc1O ZINC000769357892 577575752 /nfs/dbraw/zinc/57/57/52/577575752.db2.gz PHVDTNMTBUAAIM-UHFFFAOYSA-N 0 0 338.367 2.187 10 10 EECERN CN(C)c1ccc(CNc2ccnc(N3CCOCC3)n2)cc1F ZINC000758851455 577632399 /nfs/dbraw/zinc/63/23/99/577632399.db2.gz CUSLJTAPCXSEGL-UHFFFAOYSA-N 0 0 331.395 2.130 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 ZINC000761090311 577676344 /nfs/dbraw/zinc/67/63/44/577676344.db2.gz JESKTYIVJKBISF-QGZVFWFLSA-N 0 0 333.457 2.460 10 10 EECERN CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc2nonc21 ZINC000162917344 682052803 /nfs/dbraw/zinc/05/28/03/682052803.db2.gz IYYOAIKKXOUBHR-ZDUSSCGKSA-N 0 0 347.396 2.189 10 10 EECERN CNC(=O)C1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895956965 684787889 /nfs/dbraw/zinc/78/78/89/684787889.db2.gz UBYSNIIYLITQHF-UHFFFAOYSA-N 0 0 348.424 2.347 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925141790 686247165 /nfs/dbraw/zinc/24/71/65/686247165.db2.gz CYQUASXBSQOZAA-CABCVRRESA-N 0 0 335.473 2.113 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](n2ccnn2)C1 ZINC000898010302 691841133 /nfs/dbraw/zinc/84/11/33/691841133.db2.gz BTKWUNISUABIPG-NSHDSACASA-N 0 0 344.396 2.381 10 10 EECERN O=C(N[C@H]1CC(=O)N(CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000899234700 693674009 /nfs/dbraw/zinc/67/40/09/693674009.db2.gz OPCLJGLIFYDTAB-NSHDSACASA-N 0 0 346.408 2.053 10 10 EECERN NC(=O)CC1(CNC(=O)NCc2c(O)cccc2F)CCCCC1 ZINC001687165961 1176362245 /nfs/dbraw/zinc/36/22/45/1176362245.db2.gz KNOWXRDOQYORAP-UHFFFAOYSA-N 0 0 337.395 2.156 10 10 EECERN C[C@@H](NC(=O)/C=C\c1ccc(C(N)=O)o1)c1ccc(N(C)C)cc1 ZINC001269588602 1184414051 /nfs/dbraw/zinc/41/40/51/1184414051.db2.gz SJWNTYFWPJWPBH-UCQJPZFISA-N 0 0 327.384 2.335 10 10 EECERN C[C@@H]1CCC[C@H](CCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842040858 1188239024 /nfs/dbraw/zinc/23/90/24/1188239024.db2.gz OIRHQYJCEQRCPF-GDBMZVCRSA-N 0 0 331.460 2.260 10 10 EECERN CCc1nc[nH]c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000905457542 1189735530 /nfs/dbraw/zinc/73/55/30/1189735530.db2.gz ZCZOKVNISWLSHS-UHFFFAOYSA-N 0 0 328.416 2.081 10 10 EECERN C=CC(=O)Nc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001545669044 1189832639 /nfs/dbraw/zinc/83/26/39/1189832639.db2.gz HYTDKTZHRYYWDK-UHFFFAOYSA-N 0 0 326.352 2.195 10 10 EECERN CNC(=O)Nc1ccc(C(=O)NCc2ccc(OC)cc2O)cc1 ZINC001626079936 1194327611 /nfs/dbraw/zinc/32/76/11/1194327611.db2.gz QCFBEQGEOQMBFV-UHFFFAOYSA-N 0 0 329.356 2.082 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cc(C(F)(F)F)c[nH]c1=O ZINC001137464770 1248640823 /nfs/dbraw/zinc/64/08/23/1248640823.db2.gz OUWRNXUFCZHFFN-UHFFFAOYSA-N 0 0 342.273 2.190 10 10 EECERN CCN(CC)c1ccc(CN(C)S(=O)(=O)[C@H]2CCO[C@@H]2C)cc1 ZINC000785478521 1196768535 /nfs/dbraw/zinc/76/85/35/1196768535.db2.gz NRZZZUDEUPVTNC-PBHICJAKSA-N 0 0 340.489 2.472 10 10 EECERN Cc1cc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3)CCOCC2)on1 ZINC000863712636 1197827916 /nfs/dbraw/zinc/82/79/16/1197827916.db2.gz UJFMWASLBYPIOI-HWKANZROSA-N 0 0 344.367 2.230 10 10 EECERN Cc1cc(C2(NC(=O)/C=C\c3ccc(O)c(O)c3)CCOCC2)on1 ZINC000863712637 1197828617 /nfs/dbraw/zinc/82/86/17/1197828617.db2.gz UJFMWASLBYPIOI-HYXAFXHYSA-N 0 0 344.367 2.230 10 10 EECERN CCOC1CC2(C[C@H]2N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000871916751 1197971862 /nfs/dbraw/zinc/97/18/62/1197971862.db2.gz WREASIOASHWQLX-NSWWBONSSA-N 0 0 330.384 2.114 10 10 EECERN CO[C@@H]1CN2C(=O)N([C@H](C)c3ccc(N(C)C)cc3)C(=O)[C@@]2(C)C1 ZINC000865304629 1198161361 /nfs/dbraw/zinc/16/13/61/1198161361.db2.gz DURXESUDZYYSEK-HNJNHCNJSA-N 0 0 331.416 2.255 10 10 EECERN COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000873860790 1198721970 /nfs/dbraw/zinc/72/19/70/1198721970.db2.gz YDRZEAVENGZXQI-DOTOQJQBSA-N 0 0 348.443 2.069 10 10 EECERN CN(C)C(=O)COc1ccccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871199584 1201097512 /nfs/dbraw/zinc/09/75/12/1201097512.db2.gz ZGWINQGAHCKHKZ-UHFFFAOYSA-N 0 0 340.379 2.015 10 10 EECERN O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1Cc2cccc(O)c2C1 ZINC000871201615 1201098656 /nfs/dbraw/zinc/09/86/56/1201098656.db2.gz XLCMIDXFHXRBAW-UHFFFAOYSA-N 0 0 325.368 2.112 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/COC1CCOCC1 ZINC000866207526 1201464694 /nfs/dbraw/zinc/46/46/94/1201464694.db2.gz PRZWEWIIGIUVAF-ONEGZZNKSA-N 0 0 346.427 2.230 10 10 EECERN CO[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000868130620 1201749744 /nfs/dbraw/zinc/74/97/44/1201749744.db2.gz PBVSQZUWYDRWPQ-CRAIPNDOSA-N 0 0 347.459 2.232 10 10 EECERN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)/C=C\c3ccc(O)c(O)c3)O2)[C@H]1C ZINC000924275683 1205953929 /nfs/dbraw/zinc/95/39/29/1205953929.db2.gz QENKKONIRWBGFK-HINZHIMUSA-N 0 0 347.411 2.200 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000924736275 1206025711 /nfs/dbraw/zinc/02/57/11/1206025711.db2.gz IYYYCPCEMQYFFF-AWEZNQCLSA-N 0 0 333.432 2.182 10 10 EECERN COc1ccc(N2CC[C@H](N3C(=O)N4CCC[C@@H]5C[C@@]54C3=O)C2)cc1 ZINC000924978197 1206057493 /nfs/dbraw/zinc/05/74/93/1206057493.db2.gz MHCMVSPSHBJKCJ-WTANOLMUSA-N 0 0 341.411 2.091 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC2(CCC2)CO1 ZINC000925117409 1206071618 /nfs/dbraw/zinc/07/16/18/1206071618.db2.gz OMZZKHJVQNIIPX-AWEZNQCLSA-N 0 0 330.384 2.116 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cc(F)cc(N2CCOCC2)c1 ZINC000928705387 1206413474 /nfs/dbraw/zinc/41/34/74/1206413474.db2.gz IHPAHSUAOHNDPU-UHFFFAOYSA-N 0 0 348.349 2.437 10 10 EECERN CN(C)c1ccc(CN(C(=O)c2cc(C=O)n(C)n2)C2CC2)cc1 ZINC000929935571 1206519314 /nfs/dbraw/zinc/51/93/14/1206519314.db2.gz WSXUDDOCYHUYIM-UHFFFAOYSA-N 0 0 326.400 2.103 10 10 EECERN CN(C)c1ccc(CN(C)S(=O)(=O)c2cnn(CC3CC3)c2)cc1 ZINC000777856967 1206521805 /nfs/dbraw/zinc/52/18/05/1206521805.db2.gz NWGDIWZFIANOJD-UHFFFAOYSA-N 0 0 348.472 2.180 10 10 EECERN COCCCn1cc(C)c(NC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000931599842 1207422073 /nfs/dbraw/zinc/42/20/73/1207422073.db2.gz OSXATOQUUVVXML-UHFFFAOYSA-N 0 0 330.388 2.481 10 10 EECERN Cc1cc(C(=O)N[C@H](C)Cn2cncn2)c(C)n1-c1ccc(C#N)cc1 ZINC000077315211 1209758335 /nfs/dbraw/zinc/75/83/35/1209758335.db2.gz YTYIYSCSMYFGAL-CYBMUJFWSA-N 0 0 348.410 2.376 10 10 EECERN Cc1cc(CC(=O)N[C@H](C)CS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000827687467 1248644022 /nfs/dbraw/zinc/64/40/22/1248644022.db2.gz QKPFUXLBCKAQDS-CYBMUJFWSA-N 0 0 348.468 2.186 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000779538369 1210458401 /nfs/dbraw/zinc/45/84/01/1210458401.db2.gz YTSXDTICIBTRCK-VSKVDJIOSA-N 0 0 338.363 2.353 10 10 EECERN C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000305296022 1216166071 /nfs/dbraw/zinc/16/60/71/1216166071.db2.gz GMWWTYWNYXTGGE-CYBMUJFWSA-N 0 0 346.402 2.468 10 10 EECERN [O-]c1ccc(Cl)c(F)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827700406 1248656106 /nfs/dbraw/zinc/65/61/06/1248656106.db2.gz RZJYLEWXGVNDCJ-LBPRGKRZSA-N 0 0 328.815 2.216 10 10 EECERN C/C(=C/C(=O)NCc1ccc(N2CCCC2)cc1)CN1CCOCC1 ZINC000900187373 1234075008 /nfs/dbraw/zinc/07/50/08/1234075008.db2.gz GRDNCRHQWTZBEY-VKAVYKQESA-N 0 0 343.471 2.182 10 10 EECERN CCC/C=C/[C@@H](O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000900508421 1234428296 /nfs/dbraw/zinc/42/82/96/1234428296.db2.gz MZCNMJXSUQRKDU-DUMMIQTOSA-N 0 0 332.444 2.497 10 10 EECERN CCC/C=C\[C@H](O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000900508427 1234428475 /nfs/dbraw/zinc/42/84/75/1234428475.db2.gz MZCNMJXSUQRKDU-XFHJGTJQSA-N 0 0 332.444 2.497 10 10 EECERN COc1ccccc1[C@H](O)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000900894060 1234967596 /nfs/dbraw/zinc/96/75/96/1234967596.db2.gz AXXVWWLQQQTVEY-SFHVURJKSA-N 0 0 342.395 2.220 10 10 EECERN Cc1nn(C)c2c1N(C(=O)c1cc3cc(O)c(O)cc3s1)CCO2 ZINC000901024812 1235131033 /nfs/dbraw/zinc/13/10/33/1235131033.db2.gz UKMNVUMLICHEJN-UHFFFAOYSA-N 0 0 345.380 2.394 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C(=O)C3CC3)C2)c1O ZINC000801542526 1235807941 /nfs/dbraw/zinc/80/79/41/1235807941.db2.gz GONMAECYLFJLND-HNNXBMFYSA-N 0 0 337.803 2.428 10 10 EECERN O=C(c1ccnc2n[nH]nc21)N(Cc1ccco1)Cc1ccccc1O ZINC001137343416 1250237075 /nfs/dbraw/zinc/23/70/75/1250237075.db2.gz OGSYINVCNVFIDS-UHFFFAOYSA-N 0 0 349.350 2.494 10 10 EECERN C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000850351567 1277194156 /nfs/dbraw/zinc/19/41/56/1277194156.db2.gz CWRCKOKSSPTXCT-DOMZBBRYSA-N 0 0 331.395 2.049 10 10 EECERN C[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000851688384 1277718222 /nfs/dbraw/zinc/71/82/22/1277718222.db2.gz YSHDJZRVALAWSA-AWEZNQCLSA-N 0 0 331.460 2.260 10 10 EECERN Cc1csc2nc(CC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cn12 ZINC000867303087 1285530943 /nfs/dbraw/zinc/53/09/43/1285530943.db2.gz YNZYHHGGBBQMHT-SNVBAGLBSA-N 0 0 345.424 2.405 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@@H](C)O[C@H]3C)C2)cc1 ZINC000852381801 1292102020 /nfs/dbraw/zinc/10/20/20/1292102020.db2.gz DIXYXBZABBOWCA-UGUYLWEFSA-N 0 0 347.459 2.387 10 10 EECERN C[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)c2ncnn21 ZINC000853855707 1292489959 /nfs/dbraw/zinc/48/99/59/1292489959.db2.gz DMYQENHKHOKBPI-NXEZZACHSA-N 0 0 338.462 2.222 10 10 EECERN O=C(NCCCSc1nccs1)N1CC[C@H]2COC[C@H]2C1 ZINC000853858176 1292492522 /nfs/dbraw/zinc/49/25/22/1292492522.db2.gz LOKMBUKKLQPTHV-NWDGAFQWSA-N 0 0 327.475 2.303 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCO[C@](C)(C(F)F)C2)cc1OC ZINC000853997474 1292576537 /nfs/dbraw/zinc/57/65/37/1292576537.db2.gz KZWYNDILRXMOPR-AWEZNQCLSA-N 0 0 332.303 2.472 10 10 EECERN Cc1cc(CC(=O)NCCN2CCOCC2)c(C)n1-c1ccccc1 ZINC000854168545 1292656210 /nfs/dbraw/zinc/65/62/10/1292656210.db2.gz HHLPAPWCVMDCSO-UHFFFAOYSA-N 0 0 341.455 2.085 10 10 EECERN CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H](O)C(C)C ZINC000854297250 1292709301 /nfs/dbraw/zinc/70/93/01/1292709301.db2.gz LFUSZSHTJPDBHQ-WBAXXEDZSA-N 0 0 349.475 2.369 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CC[C@@H](CO)CC3)C2)cc1 ZINC000854298972 1292710013 /nfs/dbraw/zinc/71/00/13/1292710013.db2.gz CZAVNOMFBJAOHF-OWCLPIDISA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC3(CCO)CCC3)C2)cc1 ZINC000854300483 1292711358 /nfs/dbraw/zinc/71/13/58/1292711358.db2.gz UKNFJYZBWAUJDO-OAHLLOKOSA-N 0 0 347.459 2.126 10 10 EECERN COC(=O)[C@@H](CF)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854475121 1292798421 /nfs/dbraw/zinc/79/84/21/1292798421.db2.gz RUJWCHCCFIFDCH-MRXNPFEDSA-N 0 0 332.375 2.264 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCNC(=O)CC1 ZINC000854513151 1292825847 /nfs/dbraw/zinc/82/58/47/1292825847.db2.gz GVHAOZURQIZZOR-CYBMUJFWSA-N 0 0 349.394 2.251 10 10 EECERN Cc1ccc(C(=O)N2CCC(n3cc(N(C)C)cn3)CC2)c(O)c1O ZINC000854655284 1292909055 /nfs/dbraw/zinc/90/90/55/1292909055.db2.gz VOVKSLYJHZJPBH-UHFFFAOYSA-N 0 0 344.415 2.146 10 10 EECERN Cc1cc(CC(=O)NCC[C@]2(O)CCOC2)c(C)n1-c1ccccc1 ZINC000855020718 1293035436 /nfs/dbraw/zinc/03/54/36/1293035436.db2.gz VUEUPSKZBWXSRS-FQEVSTJZSA-N 0 0 342.439 2.294 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3nnc4ccccc4n3)C2)cc1 ZINC000855223328 1293116459 /nfs/dbraw/zinc/11/64/59/1293116459.db2.gz FNLNADGTWQUASQ-ZDUSSCGKSA-N 0 0 349.394 2.042 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3cc(C4CC4)no3)C2)cc1 ZINC000855225349 1293117888 /nfs/dbraw/zinc/11/78/88/1293117888.db2.gz KIWXQFIOBSJFBW-AWEZNQCLSA-N 0 0 341.411 2.498 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)Cc3cnn(C)c3)C2)cc1 ZINC000855227127 1293119517 /nfs/dbraw/zinc/11/95/17/1293119517.db2.gz VYFVDGMSCPBGGV-ZBFHGGJFSA-N 0 0 342.443 2.002 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)C2)cc1 ZINC000855227918 1293119757 /nfs/dbraw/zinc/11/97/57/1293119757.db2.gz RPJXMIULUKWGIX-ZDUSSCGKSA-N 0 0 326.400 2.304 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(OC)ccc3O)C2)cc1 ZINC000855233493 1293122830 /nfs/dbraw/zinc/12/28/30/1293122830.db2.gz ZFZPGRBJLMJQGQ-ZDUSSCGKSA-N 0 0 342.395 2.418 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)C2)cc1 ZINC000855234073 1293123229 /nfs/dbraw/zinc/12/32/29/1293123229.db2.gz RSWUWUKJANEGEA-KFWWJZLASA-N 0 0 330.428 2.395 10 10 EECERN C[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000856209267 1293444541 /nfs/dbraw/zinc/44/45/41/1293444541.db2.gz JIVGTWVKTJUXSV-HNAYVOBHSA-N 0 0 346.471 2.469 10 10 EECERN Cc1cn2c(n1)C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000858199778 1294042572 /nfs/dbraw/zinc/04/25/72/1294042572.db2.gz RNGMEZJGSJTARG-INIZCTEOSA-N 0 0 326.444 2.479 10 10 EECERN CCON(CC)C(=O)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000858220366 1294050747 /nfs/dbraw/zinc/05/07/47/1294050747.db2.gz WHTIJMLCHPXDJC-UHFFFAOYSA-N 0 0 345.237 2.353 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@H]3CCCOC3)C2)cc1 ZINC000858599492 1294164609 /nfs/dbraw/zinc/16/46/09/1294164609.db2.gz NJDGXLNDYJJRGZ-JKSUJKDBSA-N 0 0 347.459 2.390 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000858837787 1294240237 /nfs/dbraw/zinc/24/02/37/1294240237.db2.gz WDDYDIQAHHELGG-FAQJLRJSSA-N 0 0 334.372 2.378 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCn3nncc3C2)c1 ZINC000862142540 1295718456 /nfs/dbraw/zinc/71/84/56/1295718456.db2.gz PLHUGWITWREYQU-UHFFFAOYSA-N 0 0 349.394 2.154 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]2CCC[C@H]21 ZINC000863331429 1296225183 /nfs/dbraw/zinc/22/51/83/1296225183.db2.gz MCOSMOBPSUNPTD-AMUYPSKOSA-N 0 0 345.395 2.301 10 10 EECERN CCO[C@H](CS(=O)(=O)Nc1ccc(O)cc1COC)C1CC1 ZINC000863410723 1296268939 /nfs/dbraw/zinc/26/89/39/1296268939.db2.gz JCFGZDRLXPKBIM-OAHLLOKOSA-N 0 0 329.418 2.095 10 10 EECERN CSC[C@@](C)(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001119592576 1309136177 /nfs/dbraw/zinc/13/61/77/1309136177.db2.gz HZJXDCGBYDIZSE-AWEZNQCLSA-N 0 0 327.427 2.156 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001119768245 1309195496 /nfs/dbraw/zinc/19/54/96/1309195496.db2.gz DLORHBPNUGOBRD-IJLUTSLNSA-N 0 0 339.486 2.046 10 10 EECERN CCOC(=O)[C@@H](CC)C(=O)NCc1cc(Br)ccc1O ZINC000839761963 1315240962 /nfs/dbraw/zinc/24/09/62/1315240962.db2.gz NFDYERDAWHULBG-NSHDSACASA-N 0 0 344.205 2.360 10 10 EECERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112180 1315478118 /nfs/dbraw/zinc/47/81/18/1315478118.db2.gz LPCPZZHPLOUGBA-SJCJKPOMSA-N 0 0 339.395 2.058 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1O ZINC000842163961 1315670301 /nfs/dbraw/zinc/67/03/01/1315670301.db2.gz TUEFICGWNPCSNH-RYUDHWBXSA-N 0 0 340.851 2.135 10 10 EECERN Cc1cc(-c2nc(C(=O)NCc3ccc(O)c(O)c3)co2)ccn1 ZINC001150377042 1316248258 /nfs/dbraw/zinc/24/82/58/1316248258.db2.gz GPPKWURBHWDPNR-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN CCN1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1=O ZINC001254153271 1318006104 /nfs/dbraw/zinc/00/61/04/1318006104.db2.gz DCFTZKCVOUGIKC-QGZVFWFLSA-N 0 0 344.459 2.049 10 10 EECERN COC(=O)Nc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001157305645 1318555629 /nfs/dbraw/zinc/55/56/29/1318555629.db2.gz ATTQJVCSEWEIBG-UHFFFAOYSA-N 0 0 330.340 2.135 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CCO)c1ccccc1F ZINC001163033772 1321020300 /nfs/dbraw/zinc/02/03/00/1321020300.db2.gz SHBQRLKMJGWYNI-LYASGUKUSA-N 0 0 331.343 2.490 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cc2n(n1)CCCC2=O ZINC001299724733 1321992200 /nfs/dbraw/zinc/99/22/00/1321992200.db2.gz IIYKANOWKVVEIC-UHFFFAOYSA-N 0 0 336.351 2.043 10 10 EECERN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)C2CC2)cc1 ZINC001261198226 1322043716 /nfs/dbraw/zinc/04/37/16/1322043716.db2.gz HJVYDVAGENCJGS-BCDXTJNWSA-N 0 0 341.455 2.158 10 10 EECERN CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1(C)CC1 ZINC001285068103 1326852749 /nfs/dbraw/zinc/85/27/49/1326852749.db2.gz PMKLSFYNIYWSFU-GFCCVEGCSA-N 0 0 345.403 2.274 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc2nsnc21 ZINC001296245800 1329877145 /nfs/dbraw/zinc/87/71/45/1329877145.db2.gz IGOCSSGUPCFSDU-SNVBAGLBSA-N 0 0 343.408 2.392 10 10 EECERN NC(=O)N1CCCc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc21 ZINC001297315918 1329960232 /nfs/dbraw/zinc/96/02/32/1329960232.db2.gz IWQNVWYBXBPUQW-UHFFFAOYSA-N 0 0 341.367 2.110 10 10 EECERN C/C=C(\C)C(=O)NC[C@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001299005351 1330146769 /nfs/dbraw/zinc/14/67/69/1330146769.db2.gz NQFHQZJVPJOKGU-KQHYYFFMSA-N 0 0 343.387 2.146 10 10 EECERN O=C(NCc1cccc(O)c1O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001303193269 1331348178 /nfs/dbraw/zinc/34/81/78/1331348178.db2.gz JJWMUNPZXGPUTB-UHFFFAOYSA-N 0 0 327.296 2.417 10 10 EECERN CCOC(=O)[C@](C)(CNC(=O)Cc1ccc(O)c(O)c1)CC(C)C ZINC001303943177 1331370486 /nfs/dbraw/zinc/37/04/86/1331370486.db2.gz BCAFKNKLJRWSSD-SFHVURJKSA-N 0 0 337.416 2.372 10 10 EECERN COc1ccc(N2CCC(NC(=O)C(C)(C)c3c[nH]cn3)CC2)cc1 ZINC001324865150 1333776432 /nfs/dbraw/zinc/77/64/32/1333776432.db2.gz ZMADQQMHVXQDLX-UHFFFAOYSA-N 0 0 342.443 2.481 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCC3CCOCC3)C2)cc1 ZINC001327560858 1334314902 /nfs/dbraw/zinc/31/49/02/1334314902.db2.gz AMBSMEPMVQZBMW-MRXNPFEDSA-N 0 0 347.459 2.390 10 10 EECERN COC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC001330885217 1334921610 /nfs/dbraw/zinc/92/16/10/1334921610.db2.gz CCZZYGOYLHCXGK-GFCCVEGCSA-N 0 0 344.367 2.084 10 10 EECERN O=C(C(=O)N1CC2CC1(c1ccccc1)C2)N1Cc2cccc(O)c2C1 ZINC001332074209 1335720562 /nfs/dbraw/zinc/72/05/62/1335720562.db2.gz KXBVDSKBOUNMAK-UHFFFAOYSA-N 0 0 348.402 2.382 10 10 EECERN Fc1ccc(-c2nnn(Cc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC001332284044 1335791434 /nfs/dbraw/zinc/79/14/34/1335791434.db2.gz IJCGWVNEZVUPRP-UHFFFAOYSA-N 0 0 339.374 2.364 10 10 EECERN CO[C@H]1CC[C@H](C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001333289220 1335996620 /nfs/dbraw/zinc/99/66/20/1335996620.db2.gz HVHRLFPOGPMSFR-RDJZCZTQSA-N 0 0 348.443 2.069 10 10 EECERN CC(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001333825044 1336142303 /nfs/dbraw/zinc/14/23/03/1336142303.db2.gz CVVBKBWANFJWIY-GHMZBOCLSA-N 0 0 333.392 2.128 10 10 EECERN CC(=O)NCCN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001334650199 1336279287 /nfs/dbraw/zinc/27/92/87/1336279287.db2.gz PIHCJIAKQQABDJ-UHFFFAOYSA-N 0 0 327.428 2.231 10 10 EECERN CCCC(=O)NCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001355966227 1338775858 /nfs/dbraw/zinc/77/58/58/1338775858.db2.gz CRQIYWGUEQPNRC-UHFFFAOYSA-N 0 0 333.392 2.227 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N(C)C)c(C=O)c1 ZINC001611430355 1352300321 /nfs/dbraw/zinc/30/03/21/1352300321.db2.gz CGGWVMRDBMEOKH-GFCCVEGCSA-N 0 0 342.395 2.337 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@H](c3ncccn3)C2)cc1OC ZINC001612966266 1352312820 /nfs/dbraw/zinc/31/28/20/1352312820.db2.gz BTJFTDKFWXICMP-NSHDSACASA-N 0 0 330.344 2.396 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001556157749 1342423333 /nfs/dbraw/zinc/42/33/33/1342423333.db2.gz IXEXWHKGOKFKJR-SNVBAGLBSA-N 0 0 348.330 2.435 10 10 EECERN CCN(C(=O)CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC001558381847 1342475247 /nfs/dbraw/zinc/47/52/47/1342475247.db2.gz VALFSSVNXCLCTL-LUAWRHEFSA-N 0 0 340.379 2.280 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCO[C@H](c2ccccc2)O1 ZINC001593881244 1349873144 /nfs/dbraw/zinc/87/31/44/1349873144.db2.gz HULACUAHKNEZGV-WMZOPIPTSA-N 0 0 329.352 2.218 10 10 EECERN CCOC(=O)C1CCC(CC(=O)NCc2cc(O)ccc2O)CC1 ZINC001593881044 1349873145 /nfs/dbraw/zinc/87/31/45/1349873145.db2.gz CXSVDGKXAJLZRH-UHFFFAOYSA-N 0 0 335.400 2.474 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C(=O)C(C)(C)C ZINC001597566845 1349927541 /nfs/dbraw/zinc/92/75/41/1349927541.db2.gz CEYHBGMMOUUYME-UHFFFAOYSA-N 0 0 341.791 2.162 10 10 EECERN C[C@H](CC(=O)NCc1c(O)cccc1O)NC(=O)C1CCCCC1 ZINC001597574189 1349928041 /nfs/dbraw/zinc/92/80/41/1349928041.db2.gz JUMIOYRJMMBOPC-GFCCVEGCSA-N 0 0 334.416 2.189 10 10 EECERN COc1cccc(CNC(=O)[C@@H](C)N2CSCCSC2)c1O ZINC001622779028 1352389123 /nfs/dbraw/zinc/38/91/23/1352389123.db2.gz HHKUPLCXCJJWGP-LLVKDONJSA-N 0 0 342.486 2.103 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC001623574656 1352400430 /nfs/dbraw/zinc/40/04/30/1352400430.db2.gz WBZIQBVEUWRTSD-LLVKDONJSA-N 0 0 343.420 2.407 10 10 EECERN COC(=O)c1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001624953941 1352435863 /nfs/dbraw/zinc/43/58/63/1352435863.db2.gz CMFSRJVNLVKAAF-NSHDSACASA-N 0 0 329.352 2.245 10 10 EECERN COc1cccc(CNC(=O)c2ccc3c(c2)nc(C)[nH]c3=O)c1O ZINC001636061295 1352657321 /nfs/dbraw/zinc/65/73/21/1352657321.db2.gz MHGOAUKMGLAEIP-UHFFFAOYSA-N 0 0 339.351 2.288 10 10 EECERN Cc1cc(CCC(=O)NCc2cccc(Br)c2O)[nH]n1 ZINC001640089089 1352706077 /nfs/dbraw/zinc/70/60/77/1352706077.db2.gz ZLJNRNYNLVMHKK-UHFFFAOYSA-N 0 0 338.205 2.435 10 10 EECERN CCc1noc([C@H]2CC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2)n1 ZINC001648264564 1353422314 /nfs/dbraw/zinc/42/23/14/1353422314.db2.gz UKPMIYUBBXHRFD-RYUDHWBXSA-N 0 0 331.372 2.038 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001651225475 1354044838 /nfs/dbraw/zinc/04/48/38/1354044838.db2.gz LATGWMIOQBKSLJ-UHFFFAOYSA-N 0 0 345.305 2.492 10 10 EECERN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1c(O)cccc1O ZINC001651451144 1354053529 /nfs/dbraw/zinc/05/35/29/1354053529.db2.gz JJDQCQWPQAHXMY-UHFFFAOYSA-N 0 0 332.238 2.370 10 10 EECERN C[C@H](CC(=O)NCc1c(O)cccc1F)NC(=O)c1ccccc1 ZINC001652295264 1354086109 /nfs/dbraw/zinc/08/61/09/1354086109.db2.gz FFQANOWJRADMJT-GFCCVEGCSA-N 0 0 330.359 2.356 10 10 EECERN COc1ccc2c(c1)CCCCN2CC(=O)N1CCOC(C)(C)C1 ZINC001652934944 1354109309 /nfs/dbraw/zinc/10/93/09/1354109309.db2.gz WZKDGLOVDJBFEN-UHFFFAOYSA-N 0 0 332.444 2.475 10 10 EECERN CNC(=O)N[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001660142859 1354403304 /nfs/dbraw/zinc/40/33/04/1354403304.db2.gz UDPBICQEXDIFDP-CYBMUJFWSA-N 0 0 339.823 2.142 10 10 EECERN Cc1nc(CC2CC2)oc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784912132 756996101 /nfs/dbraw/zinc/99/61/01/756996101.db2.gz YNXQTABXMSZRLD-UHFFFAOYSA-N 0 0 331.324 2.386 10 10 EECERN O=C(C1CCCC1)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000581789082 765508548 /nfs/dbraw/zinc/50/85/48/765508548.db2.gz LTFPMOQMIHDOIC-UHFFFAOYSA-N 0 0 330.428 2.434 10 10 EECERN C[C@@H](NC(=O)NCc1c(O)cccc1F)C(=O)N1CCCC[C@@H]1C ZINC000919373648 769827642 /nfs/dbraw/zinc/82/76/42/769827642.db2.gz CPDJATFJKANSTG-NWDGAFQWSA-N 0 0 337.395 2.120 10 10 EECERN C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C(C)(C)C ZINC000846727884 790471768 /nfs/dbraw/zinc/47/17/68/790471768.db2.gz YVCAKXKTBLKTGO-CYBMUJFWSA-N 0 0 331.460 2.236 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)cc1F ZINC001144985333 790729234 /nfs/dbraw/zinc/72/92/34/790729234.db2.gz KXQNMSVBQMPPCO-OKILXGFUSA-N 0 0 336.407 2.487 10 10 EECERN Cc1cnc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC001135946263 784842913 /nfs/dbraw/zinc/84/29/13/784842913.db2.gz LSKHAJSKHOKSLS-UHFFFAOYSA-N 0 0 345.468 2.489 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@H]1OC ZINC000819698775 785646714 /nfs/dbraw/zinc/64/67/14/785646714.db2.gz RVALNPWAMCQUEV-DOTOQJQBSA-N 0 0 349.427 2.489 10 10 EECERN CCOC(=O)[C@H](CC(=O)NCc1ccc(N(CC)CC)cc1)C(C)=O ZINC001136300246 785781372 /nfs/dbraw/zinc/78/13/72/785781372.db2.gz JYQPJOAIXCSNLC-QGZVFWFLSA-N 0 0 348.443 2.307 10 10 EECERN O=C(Cc1ccc(=O)[nH]c1)NCc1ccc(N2CCSCC2)cc1 ZINC000822553643 787264292 /nfs/dbraw/zinc/26/42/92/787264292.db2.gz LNXYUGIROKMVIA-UHFFFAOYSA-N 0 0 343.452 2.199 10 10 EECERN CCC/C=C/[C@@H](O)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000911304585 787367410 /nfs/dbraw/zinc/36/74/10/787367410.db2.gz VCJVUORBMDWVSW-HKUPYCBJSA-N 0 0 335.400 2.001 10 10 EECERN CC1(C)CC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000822938773 787471397 /nfs/dbraw/zinc/47/13/97/787471397.db2.gz XDFQZMOEFPPVEN-WBVHZDCISA-N 0 0 343.471 2.441 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)cc1 ZINC000912292260 788090431 /nfs/dbraw/zinc/09/04/31/788090431.db2.gz KIYABFNEIYWHKT-QGTPRVQTSA-N 0 0 330.428 2.205 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\[C@H]1COC(C)(C)O1 ZINC001136972269 788388196 /nfs/dbraw/zinc/38/81/96/788388196.db2.gz GVQAXCQEFBYWBD-QPBFKRLHSA-N 0 0 332.400 2.186 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)NCC3CSC3)C2)cc1 ZINC000922950119 788425295 /nfs/dbraw/zinc/42/52/95/788425295.db2.gz CPIQGSJVPYIWSY-ZDUSSCGKSA-N 0 0 335.473 2.184 10 10 EECERN COc1nn(C)cc1NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844641533 789286819 /nfs/dbraw/zinc/28/68/19/789286819.db2.gz COHUGSWGJILXTQ-UHFFFAOYSA-N 0 0 347.419 2.037 10 10 EECERN CCCNC(=O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001144586317 789960402 /nfs/dbraw/zinc/96/04/02/789960402.db2.gz XZJXSKKJRTUPJG-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@]2(O)CCOC2)c1 ZINC000846050578 790037931 /nfs/dbraw/zinc/03/79/31/790037931.db2.gz VOBISDQNMMKJDK-AWEZNQCLSA-N 0 0 330.222 2.094 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@]1(O)CCOC1 ZINC000846450615 790174090 /nfs/dbraw/zinc/17/40/90/790174090.db2.gz GVEQIKGTTPPGBP-QGZVFWFLSA-N 0 0 334.441 2.427 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccnc2N(C)C)c1 ZINC000171735239 791461840 /nfs/dbraw/zinc/46/18/40/791461840.db2.gz PBOOWGRASFEFIX-GFCCVEGCSA-N 0 0 344.415 2.422 10 10 EECERN CO[C@]1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CCSC1 ZINC000915390429 795961474 /nfs/dbraw/zinc/96/14/74/795961474.db2.gz MLFOZNAURDTRCG-SFHVURJKSA-N 0 0 349.500 2.390 10 10 EECERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000154466026 798298956 /nfs/dbraw/zinc/29/89/56/798298956.db2.gz JYOGGMCPHCBURM-AWEZNQCLSA-N 0 0 331.460 2.211 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC001176747971 798547446 /nfs/dbraw/zinc/54/74/46/798547446.db2.gz GQZXQPGDLMHDFI-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN CC(=O)N[C@H](CC(=O)NCc1c(O)cccc1O)c1cccs1 ZINC001178905124 799693232 /nfs/dbraw/zinc/69/32/32/799693232.db2.gz IKJZBFGYQXORTI-GFCCVEGCSA-N 0 0 334.397 2.043 10 10 EECERN C[C@@H](CNC(=O)NCc1c(O)cccc1F)NC(=O)OC(C)(C)C ZINC000922268599 800166144 /nfs/dbraw/zinc/16/61/44/800166144.db2.gz NNQMFQHHVLWRHB-JTQLQIEISA-N 0 0 341.383 2.244 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(OC)CCSC2)c1 ZINC000925364913 803284124 /nfs/dbraw/zinc/28/41/24/803284124.db2.gz WBUSOMAWYKOTQQ-MEDUHNTESA-N 0 0 340.445 2.283 10 10 EECERN CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000788973811 807786943 /nfs/dbraw/zinc/78/69/43/807786943.db2.gz XWQVHUSXPIRFKX-SNVBAGLBSA-N 0 0 329.238 2.420 10 10 EECERN Cc1cccc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)c1O ZINC000789769084 808171876 /nfs/dbraw/zinc/17/18/76/808171876.db2.gz KCSCAMMCNZRPTP-UHFFFAOYSA-N 0 0 325.412 2.156 10 10 EECERN C[C@@]1(c2ccccc2)CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 ZINC001445871734 1091795988 /nfs/dbraw/zinc/79/59/88/1091795988.db2.gz XGDVRIPYVXYAJL-IBGZPJMESA-N 0 0 327.380 2.415 10 10 EECERN Cc1ccc(C(=O)N[C@H](CC(N)=O)c2ccccc2Cl)c(O)c1O ZINC001445232915 1100485009 /nfs/dbraw/zinc/48/50/09/1100485009.db2.gz MYWTXQXPWYIVBY-CYBMUJFWSA-N 0 0 348.786 2.406 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001453507541 1106266772 /nfs/dbraw/zinc/26/67/72/1106266772.db2.gz LHIZHKLXPVKQOM-QGZVFWFLSA-N 0 0 341.342 2.408 10 10 EECERN CC(=O)N(CCC(=O)NCc1c(O)cccc1O)Cc1ccccc1 ZINC001456237817 1109119178 /nfs/dbraw/zinc/11/91/78/1109119178.db2.gz WUFIXDAUPKPFKH-UHFFFAOYSA-N 0 0 342.395 2.153 10 10 EECERN C=CC(=O)Nc1cccc(C(=O)NCc2cccc(OC)c2O)c1 ZINC001465991792 1110427839 /nfs/dbraw/zinc/42/78/39/1110427839.db2.gz FUKUDLQPJPZZHC-UHFFFAOYSA-N 0 0 326.352 2.455 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(CCC(C)C)nn1 ZINC001467840339 1110464845 /nfs/dbraw/zinc/46/48/45/1110464845.db2.gz OHDITZMYMJIWGO-UHFFFAOYSA-N 0 0 337.420 2.446 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc(Br)no1 ZINC001468175279 1110469963 /nfs/dbraw/zinc/46/99/63/1110469963.db2.gz JQVKYRCABPCGRT-DUXPYHPUSA-N 0 0 339.145 2.178 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)c1cccc(-n2cnnn2)c1 ZINC001472085854 1110541899 /nfs/dbraw/zinc/54/18/99/1110541899.db2.gz AQKBAKPXHUDEJK-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN COCCN(C)c1nnc(C)n1Cc1ccc2c(c1)CCCN2C ZINC001504841044 1113918284 /nfs/dbraw/zinc/91/82/84/1113918284.db2.gz IZTPLTPWPZPMSP-UHFFFAOYSA-N 0 0 329.448 2.100 10 10 EECERN CC1(C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001522716151 1119474284 /nfs/dbraw/zinc/47/42/84/1119474284.db2.gz KTKRZOBPKMRWFQ-UHFFFAOYSA-N 0 0 345.403 2.275 10 10 EECERN CCn1c(CNC(=O)Cc2ccc(O)c(O)c2)nc2ccccc21 ZINC001540490835 1124084382 /nfs/dbraw/zinc/08/43/82/1124084382.db2.gz ZSZHHZRFZVQUKE-UHFFFAOYSA-N 0 0 325.368 2.326 10 10 EECERN COC(=O)NC(C)(C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001540567768 1124086603 /nfs/dbraw/zinc/08/66/03/1124086603.db2.gz ZGQLIOBMKRAMDC-UHFFFAOYSA-N 0 0 333.432 2.380 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1 ZINC001540619641 1124088383 /nfs/dbraw/zinc/08/83/83/1124088383.db2.gz JWEXYHNCGUFXOE-UHFFFAOYSA-N 0 0 336.355 2.469 10 10 EECERN CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1[O-] ZINC000375861340 529671209 /nfs/dbraw/zinc/67/12/09/529671209.db2.gz MYUGFWNZZUZEBR-HOTGVXAUSA-N 0 0 336.407 2.352 10 10 EECERN O=C(c1cccc(O)c1O)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000193174209 237371690 /nfs/dbraw/zinc/37/16/90/237371690.db2.gz XGPVRNSVFQIFNT-AWEZNQCLSA-N 0 0 346.770 2.065 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116798377 533718020 /nfs/dbraw/zinc/71/80/20/533718020.db2.gz KMWFZYFRCNCOMV-IBGZPJMESA-N 0 0 341.455 2.497 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H](C)CO)cc1F ZINC000077825023 463056917 /nfs/dbraw/zinc/05/69/17/463056917.db2.gz RZBJQBXTEVTUHX-STQMWFEESA-N 0 0 325.428 2.488 10 10 EECERN CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000136858915 463261406 /nfs/dbraw/zinc/26/14/06/463261406.db2.gz GOHQMFCMNVHDNP-MRXNPFEDSA-N 0 0 334.464 2.247 10 10 EECERN COc1cccc(-n2c(C)cc(C(=O)N3CCNC(=O)CC3)c2C)c1 ZINC000071839542 463437709 /nfs/dbraw/zinc/43/77/09/463437709.db2.gz XAVLBOMYAFNOFV-UHFFFAOYSA-N 0 0 341.411 2.065 10 10 EECERN Nc1ccc(CC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1 ZINC000162177845 463490334 /nfs/dbraw/zinc/49/03/34/463490334.db2.gz CHFSLHYADDKWTJ-OAHLLOKOSA-N 0 0 345.349 2.011 10 10 EECERN Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)[nH]n1 ZINC000125044299 463494654 /nfs/dbraw/zinc/49/46/54/463494654.db2.gz CZQLAWXCYFCNOE-LLVKDONJSA-N 0 0 333.411 2.354 10 10 EECERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCOCC12CCC2 ZINC000152090129 463643621 /nfs/dbraw/zinc/64/36/21/463643621.db2.gz YFKMIYNDINOZBB-QPJJXVBHSA-N 0 0 342.439 2.318 10 10 EECERN COc1ccc(N2CCCN(Cc3nnc(C4CC4)n3C)CC2)cc1 ZINC000195096901 463989579 /nfs/dbraw/zinc/98/95/79/463989579.db2.gz KPYNUXYUHHOQQN-UHFFFAOYSA-N 0 0 341.459 2.413 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cnc(OCC3CC3)cn2)cc1 ZINC000284023546 464073451 /nfs/dbraw/zinc/07/34/51/464073451.db2.gz WCIDHDGYXSFOKK-UHFFFAOYSA-N 0 0 326.400 2.261 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000269924474 464130072 /nfs/dbraw/zinc/13/00/72/464130072.db2.gz BQCTZPLQAUEHHV-IUCCYITESA-N 0 0 334.372 2.378 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H]2CSC(=O)N2)cc1F ZINC000172799600 464145036 /nfs/dbraw/zinc/14/50/36/464145036.db2.gz HJIYDLULQWAUDT-GFCCVEGCSA-N 0 0 325.409 2.113 10 10 EECERN Cc1cnn(CCNC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000173205025 464209947 /nfs/dbraw/zinc/20/99/47/464209947.db2.gz KXJLSJDOLQWLRI-UHFFFAOYSA-N 0 0 328.416 2.275 10 10 EECERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000263941388 464247677 /nfs/dbraw/zinc/24/76/77/464247677.db2.gz ZVFLONICDBRTBY-CJNGLKHVSA-N 0 0 349.500 2.316 10 10 EECERN CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000188554041 464310722 /nfs/dbraw/zinc/31/07/22/464310722.db2.gz AUGYDLYBMPHWRD-AWEZNQCLSA-N 0 0 325.428 2.440 10 10 EECERN C[C@H](O)[C@H](NCc1ccc2c(c1)CCO2)C(=O)OCc1ccccc1 ZINC000293779359 464421421 /nfs/dbraw/zinc/42/14/21/464421421.db2.gz BSKFEIJANURWQL-LIRRHRJNSA-N 0 0 341.407 2.204 10 10 EECERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C)Cc1ccccc1O)CC2 ZINC000181698834 464521765 /nfs/dbraw/zinc/52/17/65/464521765.db2.gz YUCZEJGHOWGEDF-CQSZACIVSA-N 0 0 343.431 2.264 10 10 EECERN CO[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[C@H]1C ZINC000275790551 464789808 /nfs/dbraw/zinc/78/98/08/464789808.db2.gz AVMHZHDYZMETOO-CRAIPNDOSA-N 0 0 347.459 2.090 10 10 EECERN COC(=O)c1cc(C)nc(N(C)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000286057553 464790147 /nfs/dbraw/zinc/79/01/47/464790147.db2.gz AHJXCRJDKQMUTR-UHFFFAOYSA-N 0 0 331.328 2.427 10 10 EECERN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC(=O)C1 ZINC000367960125 466560263 /nfs/dbraw/zinc/56/02/63/466560263.db2.gz QZRGVCYRYPKRJU-CQSZACIVSA-N 0 0 336.819 2.105 10 10 EECERN COc1c([O-])c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000365496474 466837831 /nfs/dbraw/zinc/83/78/31/466837831.db2.gz UUJLFEJKGPMQIH-LBPRGKRZSA-N 0 0 344.371 2.479 10 10 EECERN OCCOc1cncc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000436200428 467520673 /nfs/dbraw/zinc/52/06/73/467520673.db2.gz FPHVQAMPEVSLMW-UHFFFAOYSA-N 0 0 337.383 2.018 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)ccc21 ZINC000526028820 467647508 /nfs/dbraw/zinc/64/75/08/467647508.db2.gz SGLVAJUYDONGMX-VQFNDLOPSA-N 0 0 328.412 2.279 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2c([nH]1)CCOC2 ZINC000565878064 468139710 /nfs/dbraw/zinc/13/97/10/468139710.db2.gz VBOSZYPDWDQJQU-UHFFFAOYSA-N 0 0 327.384 2.193 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1ccc(C(F)F)n1 ZINC000625915942 469435252 /nfs/dbraw/zinc/43/52/52/469435252.db2.gz FDJLTGGSVVTVPK-UHFFFAOYSA-N 0 0 336.342 2.312 10 10 EECERN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2ccccc2O)C1 ZINC000773585037 577352759 /nfs/dbraw/zinc/35/27/59/577352759.db2.gz ZEVILHUOQXBXDU-OCCSQVGLSA-N 0 0 335.404 2.058 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCC12OCCO2 ZINC000774430382 577398716 /nfs/dbraw/zinc/39/87/16/577398716.db2.gz HWTVURKJEVNMPD-MRXNPFEDSA-N 0 0 331.412 2.430 10 10 EECERN CC1(C)CC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)O1 ZINC000777465940 577479353 /nfs/dbraw/zinc/47/93/53/577479353.db2.gz KOICPVXRRSXAIO-KRWDZBQOSA-N 0 0 347.459 2.280 10 10 EECERN CC(C)(C)c1cc(O)c(O)c(CN2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000763316401 577718914 /nfs/dbraw/zinc/71/89/14/577718914.db2.gz YPGZRUVFZZGFSL-AWEZNQCLSA-N 0 0 334.416 2.422 10 10 EECERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1cccc(OCC)c1O ZINC000763481740 577721754 /nfs/dbraw/zinc/72/17/54/577721754.db2.gz UJNZQYJMECYSOR-MRXNPFEDSA-N 0 0 344.411 2.450 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnc(N(C)C)nc2)c1 ZINC000752335573 577769264 /nfs/dbraw/zinc/76/92/64/577769264.db2.gz YGXCJVNZSQJOJJ-SNVBAGLBSA-N 0 0 331.376 2.140 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(N)=O)cn1C ZINC000755202229 577821682 /nfs/dbraw/zinc/82/16/82/577821682.db2.gz DRUKAJDJHXNHOQ-UHFFFAOYSA-N 0 0 342.443 2.241 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H]([C@@H]4CCOC4)C3)cc2N1 ZINC000747844963 577951307 /nfs/dbraw/zinc/95/13/07/577951307.db2.gz NEWSSVDKBMJZSF-VXGBXAGGSA-N 0 0 347.371 2.179 10 10 EECERN CC[S@](=O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000741421200 578119546 /nfs/dbraw/zinc/11/95/46/578119546.db2.gz ODQJKLNKVCBSKC-QHCPKHFHSA-N 0 0 337.489 2.195 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1n[nH]c2c1CCC2 ZINC000804738972 675611511 /nfs/dbraw/zinc/61/15/11/675611511.db2.gz LDAMPZJELMJLNJ-UHFFFAOYSA-N 0 0 336.189 2.297 10 10 EECERN CSCCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894597854 682990349 /nfs/dbraw/zinc/99/03/49/682990349.db2.gz PZWYOCFKADXRGP-UHFFFAOYSA-N 0 0 349.500 2.148 10 10 EECERN O=C(CCNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCCCC1 ZINC000895765934 684710088 /nfs/dbraw/zinc/71/00/88/684710088.db2.gz PZZJDDAJSBNCDW-UHFFFAOYSA-N 0 0 348.424 2.445 10 10 EECERN CS[C@@H](CO)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897065758 686091986 /nfs/dbraw/zinc/09/19/86/686091986.db2.gz PBESWDJZXTZADM-UHLUBPPHSA-N 0 0 327.427 2.155 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H](O)CC(F)(F)C1 ZINC000897527733 690951379 /nfs/dbraw/zinc/95/13/79/690951379.db2.gz STCSKXTZIBKNSD-MRVPVSSYSA-N 0 0 329.324 2.155 10 10 EECERN Cc1ccc(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)c(O)c1O ZINC001648912844 1177321290 /nfs/dbraw/zinc/32/12/90/1177321290.db2.gz YXDQQZPNFSRDMI-NSHDSACASA-N 0 0 327.336 2.170 10 10 EECERN Cc1nc([C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)no1 ZINC000129179423 1177698319 /nfs/dbraw/zinc/69/83/19/1177698319.db2.gz PZYJQXXXFLOEGT-VIFPVBQESA-N 0 0 325.328 2.433 10 10 EECERN CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000848557509 1186208965 /nfs/dbraw/zinc/20/89/65/1186208965.db2.gz FJVZTTOOPCHYGL-OQPBUACISA-N 0 0 336.201 2.342 10 10 EECERN C/C=C(\C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486679173 1194162285 /nfs/dbraw/zinc/16/22/85/1194162285.db2.gz LZPJPHNNWBLEBS-DNBUTENHSA-N 0 0 345.403 2.438 10 10 EECERN COC(=O)c1cc(OCC(=O)N2CCC[C@@H](C)C2)ccc1N(C)C ZINC000865395834 1198195944 /nfs/dbraw/zinc/19/59/44/1198195944.db2.gz CWYCBPXBFPXDNH-CYBMUJFWSA-N 0 0 334.416 2.177 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C2(N3CCOCC3)CC2)cc1F ZINC000865635972 1198309031 /nfs/dbraw/zinc/30/90/31/1198309031.db2.gz JCFAWKMPFGWOTG-UHFFFAOYSA-N 0 0 349.450 2.153 10 10 EECERN Cc1cc(O)c(CNCc2nc3c(c(=O)[nH]2)COCC3)c(Cl)c1 ZINC000865865877 1198406711 /nfs/dbraw/zinc/40/67/11/1198406711.db2.gz BZEUWMVTRMFLFD-UHFFFAOYSA-N 0 0 335.791 2.212 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3nnc(C4CC4)o3)C2)cc1 ZINC000866010462 1198453393 /nfs/dbraw/zinc/45/33/93/1198453393.db2.gz JJLYEMYIUNJVPJ-GFCCVEGCSA-N 0 0 342.399 2.212 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)C3(CCF)CC3)cc2)CC1 ZINC000810696789 1199682753 /nfs/dbraw/zinc/68/27/53/1199682753.db2.gz ZDAGUVZPSMBUJW-UHFFFAOYSA-N 0 0 347.434 2.111 10 10 EECERN C[C@@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccc(N(C)C)cc1 ZINC000811906256 1200397890 /nfs/dbraw/zinc/39/78/90/1200397890.db2.gz UYFNWLMNPAKTTG-OCCSQVGLSA-N 0 0 327.432 2.393 10 10 EECERN CN1CCc2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc21 ZINC000867691093 1201659955 /nfs/dbraw/zinc/65/99/55/1201659955.db2.gz RBRITDHMNWLZCZ-UHFFFAOYSA-N 0 0 330.409 2.089 10 10 EECERN CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868358264 1201797772 /nfs/dbraw/zinc/79/77/72/1201797772.db2.gz NXCWCDOKRWVYJH-CVEARBPZSA-N 0 0 348.491 2.026 10 10 EECERN COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)c(OC)n1 ZINC000868631680 1201849123 /nfs/dbraw/zinc/84/91/23/1201849123.db2.gz ZIMIRTTUBIBGGW-NSHDSACASA-N 0 0 331.372 2.365 10 10 EECERN CCC1(CC)CN(Cc2cccc(OC)c2O)CCS1(=O)=O ZINC000779226849 1209424569 /nfs/dbraw/zinc/42/45/69/1209424569.db2.gz UVZNNZCWHULITE-UHFFFAOYSA-N 0 0 327.446 2.190 10 10 EECERN CCN(CC(N)=O)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000191719485 1210360787 /nfs/dbraw/zinc/36/07/87/1210360787.db2.gz BIBXIUGQIOVDGV-UHFFFAOYSA-N 0 0 331.391 2.223 10 10 EECERN COc1ccc(N2CCN(C(=O)c3ccn(C)c3C)CC2)cc1F ZINC000195304473 1211375287 /nfs/dbraw/zinc/37/52/87/1211375287.db2.gz RZGGDBPJNQBSKR-UHFFFAOYSA-N 0 0 331.391 2.444 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000800650935 1234403625 /nfs/dbraw/zinc/40/36/25/1234403625.db2.gz IUTCXIMUFAPOTM-HNNXBMFYSA-N 0 0 325.412 2.397 10 10 EECERN c1c([C@@H]2CCCCO2)nnn1Cc1ccc(N2CCOCC2)cc1 ZINC000900605590 1234552857 /nfs/dbraw/zinc/55/28/57/1234552857.db2.gz UAHLTDZNTVCCNT-SFHVURJKSA-N 0 0 328.416 2.405 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H](C(F)F)C1 ZINC000801023806 1234977733 /nfs/dbraw/zinc/97/77/33/1234977733.db2.gz RYOHYYAUGVUQNP-HNNXBMFYSA-N 0 0 337.370 2.238 10 10 EECERN CC(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)C1 ZINC000901325482 1235548287 /nfs/dbraw/zinc/54/82/87/1235548287.db2.gz ITEHJZGMGUYCPP-UHFFFAOYSA-N 0 0 348.424 2.395 10 10 EECERN COc1ccc([C@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001137398531 1247963709 /nfs/dbraw/zinc/96/37/09/1247963709.db2.gz SWBGQNBEHUQNGX-OAHLLOKOSA-N 0 0 342.355 2.321 10 10 EECERN C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850507339 1277253491 /nfs/dbraw/zinc/25/34/91/1277253491.db2.gz IVJACAHPYDAIKM-ABAIWWIYSA-N 0 0 349.349 2.230 10 10 EECERN Nc1ccc(CCNC(=O)C(=O)N2CCCC[C@@H]2CC2CCC2)cc1 ZINC000851688368 1277718092 /nfs/dbraw/zinc/71/80/92/1277718092.db2.gz YHQQDNOZPXIRTE-GOSISDBHSA-N 0 0 343.471 2.499 10 10 EECERN CCc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)[nH]n1 ZINC000852130100 1292002831 /nfs/dbraw/zinc/00/28/31/1292002831.db2.gz JOJRHUNXIMERPG-CQSZACIVSA-N 0 0 343.431 2.059 10 10 EECERN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ncnn21 ZINC000852138474 1292008067 /nfs/dbraw/zinc/00/80/67/1292008067.db2.gz OUVJCFQHYSNHNC-BBRMVZONSA-N 0 0 338.415 2.160 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cnn(C)c3)C2)cc1 ZINC000852142030 1292011434 /nfs/dbraw/zinc/01/14/34/1292011434.db2.gz OTUZVEYMRCPEHA-ZFWWWQNUSA-N 0 0 343.431 2.068 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)[C@@H]3CCCOC3)C2)cc1 ZINC000852247926 1292062123 /nfs/dbraw/zinc/06/21/23/1292062123.db2.gz NBYMYKJCOGKHOZ-OAGGEKHMSA-N 0 0 347.459 2.388 10 10 EECERN CCC[C@H](C)[C@H](CO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852448985 1292116602 /nfs/dbraw/zinc/11/66/02/1292116602.db2.gz OZMUDVHZMIEOTQ-MPGHIAIKSA-N 0 0 349.475 2.370 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)C3CCCC3)C2)cc1 ZINC000852448940 1292116692 /nfs/dbraw/zinc/11/66/92/1292116692.db2.gz ODTYQRFLYKECDE-YJBOKZPZSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)CC(C)(C)C)C2)cc1 ZINC000852455195 1292118890 /nfs/dbraw/zinc/11/88/90/1292118890.db2.gz RYGVTVNYDWHKBV-GJZGRUSLSA-N 0 0 349.475 2.370 10 10 EECERN C[C@H](NC(=O)N1CC[C@H](Cn2ccnn2)C1)c1ccc(N(C)C)cc1 ZINC000854004764 1292579227 /nfs/dbraw/zinc/57/92/27/1292579227.db2.gz VQOCHFIAFXNKJQ-GJZGRUSLSA-N 0 0 342.447 2.137 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@H](C)O3)C2)cc1 ZINC000854126716 1292635083 /nfs/dbraw/zinc/63/50/83/1292635083.db2.gz AGYHWCQAZFFAEM-ZQIUZPCESA-N 0 0 333.432 2.141 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](OC)[C@@H]1CCOC1 ZINC000854276783 1292700291 /nfs/dbraw/zinc/70/02/91/1292700291.db2.gz AQUXBJZJHDXSBA-SJLPKXTDSA-N 0 0 349.475 2.336 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCCCO)C2)cc1 ZINC000854297407 1292709404 /nfs/dbraw/zinc/70/94/04/1292709404.db2.gz MKEVBYZRZPGKGG-GJZGRUSLSA-N 0 0 335.448 2.124 10 10 EECERN CCOC[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854299222 1292710295 /nfs/dbraw/zinc/71/02/95/1292710295.db2.gz GQTNUBFETCAWEB-HOTGVXAUSA-N 0 0 347.459 2.342 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](OC)C1 ZINC000854988218 1293023237 /nfs/dbraw/zinc/02/32/37/1293023237.db2.gz QMIPHRQVDKJKMT-DZGCQCFKSA-N 0 0 335.400 2.099 10 10 EECERN Cc1cc(CC(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000855016391 1293033588 /nfs/dbraw/zinc/03/35/88/1293033588.db2.gz LMRQXTCKNRIALK-IYBDPMFKSA-N 0 0 325.412 2.017 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccccc3CO)C2)cc1 ZINC000855224647 1293116543 /nfs/dbraw/zinc/11/65/43/1293116543.db2.gz GTISDZRBXINNCR-KRWDZBQOSA-N 0 0 340.423 2.125 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H](O)C3CCCCC3)C2)cc1 ZINC000855224671 1293117571 /nfs/dbraw/zinc/11/75/71/1293117571.db2.gz GWMZJLYDOGSESH-MAUKXSAKSA-N 0 0 332.444 2.331 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(=O)[nH]c3C)C2)cc1 ZINC000855234060 1293123292 /nfs/dbraw/zinc/12/32/92/1293123292.db2.gz RJDSLKBUKQPYIA-CYBMUJFWSA-N 0 0 327.384 2.113 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3C[C@@H](OC)C3)C2)cc1 ZINC000858551343 1294152081 /nfs/dbraw/zinc/15/20/81/1294152081.db2.gz CDSXDAQDNLCXIV-RKVPGOIHSA-N 0 0 347.459 2.246 10 10 EECERN CN(C)c1cc(F)c(CN2CCOC[C@H]2c2ccnn2C)cc1F ZINC000862403384 1295830345 /nfs/dbraw/zinc/83/03/45/1295830345.db2.gz ZKEUCULCTJIDDP-KRWDZBQOSA-N 0 0 336.386 2.338 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)c1 ZINC000862758555 1295953529 /nfs/dbraw/zinc/95/35/29/1295953529.db2.gz CRRKCSUVTIDBML-KRWDZBQOSA-N 0 0 341.411 2.166 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3COCCC3=O)c2C)cc1 ZINC000862932565 1296026829 /nfs/dbraw/zinc/02/68/29/1296026829.db2.gz PFCGLWTWDCLAQO-KRWDZBQOSA-N 0 0 342.395 2.191 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H](O)C(F)(F)F ZINC000798415421 1304993257 /nfs/dbraw/zinc/99/32/57/1304993257.db2.gz ICEQODNJGSJASK-ZDUSSCGKSA-N 0 0 333.354 2.174 10 10 EECERN CN(C)C(=O)Nc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001138990823 1314686391 /nfs/dbraw/zinc/68/63/91/1314686391.db2.gz AUVKQIBLSASWMR-UHFFFAOYSA-N 0 0 343.383 2.050 10 10 EECERN O=S1(=O)CCN(Cc2c(O)ccc3ccncc32)[C@@H]2CCC[C@H]21 ZINC000840146980 1315308589 /nfs/dbraw/zinc/30/85/89/1315308589.db2.gz SMAZQMVGVGOBFA-NVXWUHKLSA-N 0 0 332.425 2.092 10 10 EECERN COc1cc([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)cc(O)c1O ZINC000840830963 1315418976 /nfs/dbraw/zinc/41/89/76/1315418976.db2.gz YMZNEAYEYOQPPC-MRXNPFEDSA-N 0 0 326.352 2.274 10 10 EECERN C[C@@H]1CCCc2nc(S(=O)(=O)NCc3ccc(N(C)C)cc3)cn21 ZINC000841476020 1315561518 /nfs/dbraw/zinc/56/15/18/1315561518.db2.gz COGYDMBAVSWHKU-CYBMUJFWSA-N 0 0 348.472 2.325 10 10 EECERN COC[C@@]1(C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000842875560 1315789178 /nfs/dbraw/zinc/78/91/78/1315789178.db2.gz RTQKLHLUNOHLLF-BEFAXECRSA-N 0 0 349.427 2.118 10 10 EECERN COc1ccc(N2CC[C@H](COC(=O)c3ccc(=O)n(C)c3)C2)cc1 ZINC000842879375 1315790135 /nfs/dbraw/zinc/79/01/35/1315790135.db2.gz RRHGIZXHBUTCAJ-AWEZNQCLSA-N 0 0 342.395 2.077 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001149880548 1316075876 /nfs/dbraw/zinc/07/58/76/1316075876.db2.gz KRIWORMBYVRAPE-UHFFFAOYSA-N 0 0 330.344 2.330 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cnn(CCC(F)(F)F)c1 ZINC001156880895 1318257562 /nfs/dbraw/zinc/25/75/62/1318257562.db2.gz GGMGSVWKJAXPOE-UHFFFAOYSA-N 0 0 329.278 2.177 10 10 EECERN O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1c(O)ccc2ccccc21 ZINC001157051368 1318370560 /nfs/dbraw/zinc/37/05/60/1318370560.db2.gz UIHFQPPVTRTKBU-LBPRGKRZSA-N 0 0 331.393 2.110 10 10 EECERN Nc1nc(C2CCCC2)ncc1C(=O)NCc1ccc(O)cc1O ZINC001299575420 1319530111 /nfs/dbraw/zinc/53/01/11/1319530111.db2.gz ZVDWKPIITNWSGF-UHFFFAOYSA-N 0 0 328.372 2.058 10 10 EECERN COc1ccnc(OC)c1C(=O)NCc1ccc2cccnc2c1O ZINC001162612039 1320911878 /nfs/dbraw/zinc/91/18/78/1320911878.db2.gz AJZMSOAUYNOXDN-UHFFFAOYSA-N 0 0 339.351 2.283 10 10 EECERN CCS[C@H]1CC[C@@H](N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261863592 1322189818 /nfs/dbraw/zinc/18/98/18/1322189818.db2.gz FSLLINZANADNPT-KGLIPLIRSA-N 0 0 348.468 2.367 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)NCC(C)(C)[C@H](C)O)C2)cc1 ZINC001263730649 1322508838 /nfs/dbraw/zinc/50/88/38/1322508838.db2.gz FUWCOAFXPOZCEQ-LSDHHAIUSA-N 0 0 349.475 2.228 10 10 EECERN Cc1n[nH]c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1[N+](=O)[O-] ZINC001290375281 1328188977 /nfs/dbraw/zinc/18/89/77/1328188977.db2.gz YMFYORMNTDAQEI-UHFFFAOYSA-N 0 0 343.387 2.499 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc2nsnc21 ZINC001296245799 1329877007 /nfs/dbraw/zinc/87/70/07/1329877007.db2.gz IGOCSSGUPCFSDU-JTQLQIEISA-N 0 0 343.408 2.392 10 10 EECERN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1noc(C(F)F)n1 ZINC001299107126 1330162209 /nfs/dbraw/zinc/16/22/09/1330162209.db2.gz TZFKNWOENNTCIO-GLCRXLCDSA-N 0 0 325.271 2.309 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001303194687 1331347831 /nfs/dbraw/zinc/34/78/31/1331347831.db2.gz JJBLRGMARRCQRO-NWDGAFQWSA-N 0 0 335.400 2.472 10 10 EECERN Cc1noc(C2(NC(=O)c3cc4cc(O)c(O)cc4s3)CC2)n1 ZINC001305446760 1331428304 /nfs/dbraw/zinc/42/83/04/1331428304.db2.gz SANFYMSUYVYOCD-UHFFFAOYSA-N 0 0 331.353 2.423 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC1(C2CCC2)CCC1 ZINC001325632859 1333929168 /nfs/dbraw/zinc/92/91/68/1333929168.db2.gz AOAGDCPFHOONFR-UHFFFAOYSA-N 0 0 330.428 2.437 10 10 EECERN CC(C)[C@@H](NC(=O)C(=O)NCCCSc1nccs1)C1CC1 ZINC001328035704 1334382257 /nfs/dbraw/zinc/38/22/57/1334382257.db2.gz KGYOEZRLSUZLRU-GFCCVEGCSA-N 0 0 341.502 2.292 10 10 EECERN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H](C)[C@H]1O ZINC001328553853 1334478498 /nfs/dbraw/zinc/47/84/98/1334478498.db2.gz VWGPYYABUAUWIS-UOIKSKOESA-N 0 0 331.460 2.227 10 10 EECERN O=C(N[C@@H]1CCc2c1cccc2F)C(=O)N1Cc2cccc(O)c2C1 ZINC001332350852 1335808312 /nfs/dbraw/zinc/80/83/12/1335808312.db2.gz UJXADDLZHLXMJO-MRXNPFEDSA-N 0 0 340.354 2.177 10 10 EECERN O=C(NCC[C@@H]1CCCC1(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC001338883914 1336926048 /nfs/dbraw/zinc/92/60/48/1336926048.db2.gz NAMZOHXATGWYCL-LBPRGKRZSA-N 0 0 338.354 2.176 10 10 EECERN COC(=O)[C@H]1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)C1 ZINC001350546543 1337722757 /nfs/dbraw/zinc/72/27/57/1337722757.db2.gz DGIPOGGWPQMAOP-NSHDSACASA-N 0 0 348.428 2.122 10 10 EECERN CCCC[C@H]1NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849358599 1339154216 /nfs/dbraw/zinc/15/42/16/1339154216.db2.gz ZNJZKSOYEWIUMC-GDBMZVCRSA-N 0 0 331.416 2.385 10 10 EECERN COC(=O)[C@H](CNC(=O)c1c(F)ccc(O)c1O)CC1CCCC1 ZINC001611688185 1352303614 /nfs/dbraw/zinc/30/36/14/1352303614.db2.gz RRYCQYNJJMOLJC-NSHDSACASA-N 0 0 339.363 2.336 10 10 EECERN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC001542180470 1342327933 /nfs/dbraw/zinc/32/79/33/1342327933.db2.gz MTCOEXZASPTJHT-UHFFFAOYSA-N 0 0 342.355 2.266 10 10 EECERN Cc1cc(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC001558438855 1342477096 /nfs/dbraw/zinc/47/70/96/1342477096.db2.gz ULMUHRRWYKKIDA-GJWQZFMSSA-N 0 0 328.412 2.017 10 10 EECERN COC(=O)[C@]1(C(=O)NCc2c(O)cccc2O)C[C@H]1c1ccccc1 ZINC001597578720 1349928321 /nfs/dbraw/zinc/92/83/21/1349928321.db2.gz BPDIAIZLLLUHGU-IFXJQAMLSA-N 0 0 341.363 2.061 10 10 EECERN CO[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1ccccc1 ZINC001624530272 1352423614 /nfs/dbraw/zinc/42/36/14/1352423614.db2.gz RPYWOAROVMRKSC-YHWKNFMLSA-N 0 0 327.380 2.485 10 10 EECERN CO[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1ccccc1 ZINC001624530270 1352423682 /nfs/dbraw/zinc/42/36/82/1352423682.db2.gz RPYWOAROVMRKSC-SIJIIQCFSA-N 0 0 327.380 2.485 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c2c(ccc1F)OCO2 ZINC001624954426 1352435740 /nfs/dbraw/zinc/43/57/40/1352435740.db2.gz IDBHNMDZMPPLHZ-SECBINFHSA-N 0 0 333.315 2.327 10 10 EECERN NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001626833958 1352474634 /nfs/dbraw/zinc/47/46/34/1352474634.db2.gz QVUZVKGBSIXEQU-MGCOHNPYSA-N 0 0 348.424 2.334 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1csc(C=O)c1 ZINC001630480552 1352569159 /nfs/dbraw/zinc/56/91/59/1352569159.db2.gz CKLOFGFRGUKXJK-UHFFFAOYSA-N 0 0 347.392 2.472 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncnc2ccsc21 ZINC001632680943 1352601089 /nfs/dbraw/zinc/60/10/89/1352601089.db2.gz JIRGKKUQYRAZSX-SECBINFHSA-N 0 0 329.381 2.464 10 10 EECERN COc1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])c(O)c1 ZINC001633926483 1352620662 /nfs/dbraw/zinc/62/06/62/1352620662.db2.gz FGAKZEYILOHDQV-UHFFFAOYSA-N 0 0 334.303 2.307 10 10 EECERN CN(C[C@@H]1OCCc2ccccc21)C(=O)Cc1ccc(O)c(O)c1 ZINC001635940052 1352655238 /nfs/dbraw/zinc/65/52/38/1352655238.db2.gz SZCPYFIGDXOTFW-SFHVURJKSA-N 0 0 327.380 2.413 10 10 EECERN Cc1ccc(C(=O)NCCc2cn(C)c3ncccc23)c(O)c1O ZINC001643836067 1352753577 /nfs/dbraw/zinc/75/35/77/1352753577.db2.gz UTVMVLPOEDNJJG-UHFFFAOYSA-N 0 0 325.368 2.265 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC001686826736 1358490464 /nfs/dbraw/zinc/49/04/64/1358490464.db2.gz ODHSUAJNFZLMAO-YEWWUXTCSA-N 0 0 333.476 2.404 10 10 EECERN Nc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cnn1C1CC1 ZINC000906114007 783715579 /nfs/dbraw/zinc/71/55/79/783715579.db2.gz YVSFUBQXTSTVLN-UHFFFAOYSA-N 0 0 325.416 2.330 10 10 EECERN CCOC(=O)C[C@@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000816668049 784204538 /nfs/dbraw/zinc/20/45/38/784204538.db2.gz DBDWYOMPAORKQC-INIZCTEOSA-N 0 0 344.411 2.138 10 10 EECERN COC(=O)[C@]1(C)CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907533294 784697933 /nfs/dbraw/zinc/69/79/33/784697933.db2.gz TWDONGBRDWAXIX-INIZCTEOSA-N 0 0 335.381 2.480 10 10 EECERN CC[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000817833899 785003749 /nfs/dbraw/zinc/00/37/49/785003749.db2.gz RHZIQHSTLAUFRZ-FRFSOERESA-N 0 0 347.459 2.004 10 10 EECERN C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000908210760 785237194 /nfs/dbraw/zinc/23/71/94/785237194.db2.gz CVZVOTPCSWGEKD-OAHLLOKOSA-N 0 0 347.242 2.162 10 10 EECERN COc1ccc(N2CCN([C@@H]3CCN(C(C)(C)C)C3=O)CC2)cc1 ZINC000822570904 787273661 /nfs/dbraw/zinc/27/36/61/787273661.db2.gz SAJDJFBGSNWFIE-QGZVFWFLSA-N 0 0 331.460 2.217 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000830535433 787671199 /nfs/dbraw/zinc/67/11/99/787671199.db2.gz SPQHVOWIXCUVDX-XJKSGUPXSA-N 0 0 326.462 2.048 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnc(OC)c3)C2)cc1 ZINC000823346769 787702018 /nfs/dbraw/zinc/70/20/18/787702018.db2.gz CTTZKUREZASSAR-CQSZACIVSA-N 0 0 342.399 2.499 10 10 EECERN CCOC(=O)CN(Cc1nn(C)cc1Cl)Cc1ccccc1O ZINC000823576210 787804101 /nfs/dbraw/zinc/80/41/01/787804101.db2.gz JATLXBUPJAZEIG-UHFFFAOYSA-N 0 0 337.807 2.344 10 10 EECERN CCOC(=O)CN(CC(=O)NC1CCCCC1)Cc1ccccc1O ZINC000823581768 787809891 /nfs/dbraw/zinc/80/98/91/787809891.db2.gz PCXHRQQMVIGSOA-UHFFFAOYSA-N 0 0 348.443 2.206 10 10 EECERN COc1nccnc1CNCc1ccc(N2CCSCC2)cc1 ZINC000823666918 787862339 /nfs/dbraw/zinc/86/23/39/787862339.db2.gz VIGOJKOKJOIXIN-UHFFFAOYSA-N 0 0 330.457 2.328 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4C[C@H]3CS4)C2)cc1 ZINC000823732915 787890202 /nfs/dbraw/zinc/89/02/02/787890202.db2.gz JHGROGKJRMKWLC-KMFMINBZSA-N 0 0 347.484 2.421 10 10 EECERN CO[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000824261591 788112032 /nfs/dbraw/zinc/11/20/32/788112032.db2.gz HAJSKINUDNNJOG-FUHWJXTLSA-N 0 0 332.444 2.345 10 10 EECERN Cn1cc(Br)c(CNCc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000824780563 788299212 /nfs/dbraw/zinc/29/92/12/788299212.db2.gz ULAKMXBYLOWOQH-UHFFFAOYSA-N 0 0 341.165 2.086 10 10 EECERN CNC(=O)[C@H]1CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825143164 788456883 /nfs/dbraw/zinc/45/68/83/788456883.db2.gz DWJOXHOMXFEPQW-GOSISDBHSA-N 0 0 339.439 2.374 10 10 EECERN COc1cc(CN2CCN3C(=O)N=NC3C2)c(O)c(C(C)(C)C)c1 ZINC000825513817 788661183 /nfs/dbraw/zinc/66/11/83/788661183.db2.gz KEBAGWUHOBUWRQ-UHFFFAOYSA-N 0 0 332.404 2.011 10 10 EECERN C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844422023 789084727 /nfs/dbraw/zinc/08/47/27/789084727.db2.gz KIJFYLOIKYZHNY-HNNXBMFYSA-N 0 0 331.460 2.012 10 10 EECERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000058769150 790008424 /nfs/dbraw/zinc/00/84/24/790008424.db2.gz FZCVLYMSTKBVAG-SFHVURJKSA-N 0 0 343.471 2.332 10 10 EECERN COc1cc(Cl)cc(CN2CCOC[C@H]2c2ccnn2C)c1O ZINC000846115418 790055268 /nfs/dbraw/zinc/05/52/68/790055268.db2.gz LSORVJAIEJXNAQ-AWEZNQCLSA-N 0 0 337.807 2.361 10 10 EECERN O=C(c1cccn(CC(F)(F)F)c1=O)N1Cc2cccc(O)c2C1 ZINC000913725826 794183550 /nfs/dbraw/zinc/18/35/50/794183550.db2.gz BCJYJLVNGRFVQC-UHFFFAOYSA-N 0 0 338.285 2.272 10 10 EECERN CNC(=O)c1cccc(CCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000151957968 794349747 /nfs/dbraw/zinc/34/97/47/794349747.db2.gz YPVSPTYWLFZBCQ-UHFFFAOYSA-N 0 0 339.439 2.361 10 10 EECERN Cc1c(Br)cnn1CC(=O)N1Cc2cccc(O)c2C1 ZINC001175038295 797972788 /nfs/dbraw/zinc/97/27/88/797972788.db2.gz PHZPNOPVEVVHIR-UHFFFAOYSA-N 0 0 336.189 2.202 10 10 EECERN CC(C)(C)OC(=O)NC1(C(=O)NCc2cccc(O)c2O)CCC1 ZINC001176564739 798498476 /nfs/dbraw/zinc/49/84/76/798498476.db2.gz DHEANDCFYUIYAQ-UHFFFAOYSA-N 0 0 336.388 2.161 10 10 EECERN Cc1ccc(N2CCC(C(=O)NCc3c(O)cccc3O)CC2)nc1 ZINC001178911800 799697399 /nfs/dbraw/zinc/69/73/99/799697399.db2.gz PSTBOWZFHZFJQA-UHFFFAOYSA-N 0 0 341.411 2.334 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@H](C(=O)OC)[C@H]2C)c([N+](=O)[O-])c1 ZINC000786817509 806912407 /nfs/dbraw/zinc/91/24/07/806912407.db2.gz YTUHYWDNAXLPMW-QGSKFPASSA-N 0 0 348.355 2.169 10 10 EECERN Cc1nn(C)c(C)c1C(=O)N1CCOc2ccc(N(C)C)cc2C1 ZINC000575541028 801755994 /nfs/dbraw/zinc/75/59/94/801755994.db2.gz KVPGGJSVWQBKCJ-UHFFFAOYSA-N 0 0 328.416 2.138 10 10 EECERN C[C@@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000792041621 809573441 /nfs/dbraw/zinc/57/34/41/809573441.db2.gz YTFRGWDHQOBLBU-BETUJISGSA-N 0 0 335.423 2.479 10 10 EECERN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCOC1 ZINC000805136246 811154141 /nfs/dbraw/zinc/15/41/41/811154141.db2.gz FYOFLEYUZOCHQD-NSHDSACASA-N 0 0 329.194 2.133 10 10 EECERN Cn1ccc(CNC(=O)NCc2cc(Br)ccc2O)c1 ZINC000805168671 811169616 /nfs/dbraw/zinc/16/96/16/811169616.db2.gz UHSAWIJFRMABTH-UHFFFAOYSA-N 0 0 338.205 2.493 10 10 EECERN O=C(NCCCSc1nccs1)N1CC2(C1)CCCOC2 ZINC000806961031 812035978 /nfs/dbraw/zinc/03/59/78/812035978.db2.gz JGUYLZSUEZVITQ-UHFFFAOYSA-N 0 0 327.475 2.447 10 10 EECERN COC(=O)c1cc2ccccc2c(CN(C)Cc2nncn2C)c1O ZINC000808215106 812519193 /nfs/dbraw/zinc/51/91/93/812519193.db2.gz GXPVIQXJMYGRQH-UHFFFAOYSA-N 0 0 340.383 2.093 10 10 EECERN CC(=O)C(=O)COC(=O)C=Cc1ccc(C)cc1Br ZINC000808495270 812665151 /nfs/dbraw/zinc/66/51/51/812665151.db2.gz OVOUTDUIMITNQD-WAYWQWQTSA-N 0 0 325.158 2.472 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000808510193 812681593 /nfs/dbraw/zinc/68/15/93/812681593.db2.gz IEVLNESAFYDWHQ-VXGBXAGGSA-N 0 0 325.158 2.254 10 10 EECERN CC(=O)C(=O)COC(=O)Cc1cc(Cl)ccc1Br ZINC000808529786 812702787 /nfs/dbraw/zinc/70/27/87/812702787.db2.gz SRMNNVVUYSHMKW-UHFFFAOYSA-N 0 0 333.565 2.346 10 10 EECERN COCc1nc(C(=O)OCC(=O)C(C)=O)c(-c2ccccc2)s1 ZINC000808548919 812716815 /nfs/dbraw/zinc/71/68/15/812716815.db2.gz SSSXHPQQUSTYSJ-UHFFFAOYSA-N 0 0 333.365 2.271 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001566374558 1125598287 /nfs/dbraw/zinc/59/82/87/1125598287.db2.gz MSJZNOFEYQHHET-SECBINFHSA-N 0 0 331.328 2.382 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@H]2O ZINC001445651726 1091440873 /nfs/dbraw/zinc/44/08/73/1091440873.db2.gz FZRCKYKWYGSNDF-QGZVFWFLSA-N 0 0 329.400 2.468 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc3c(N)ncnc3c2)cc1F ZINC001442471141 1096801211 /nfs/dbraw/zinc/80/12/11/1096801211.db2.gz HPCXBJVFYNANTA-UHFFFAOYSA-N 0 0 339.374 2.347 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1cccnc1 ZINC001446816281 1101473479 /nfs/dbraw/zinc/47/34/79/1101473479.db2.gz NBZHQMNTYGMOGC-UHFFFAOYSA-N 0 0 348.786 2.185 10 10 EECERN COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)c(C)c1 ZINC001447369784 1102540784 /nfs/dbraw/zinc/54/07/84/1102540784.db2.gz GSCRPKLAAZJHQE-AWEZNQCLSA-N 0 0 333.315 2.189 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001453652482 1106365155 /nfs/dbraw/zinc/36/51/55/1106365155.db2.gz GSGYWNOPAFFNIB-JSGCOSHPSA-N 0 0 334.416 2.478 10 10 EECERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cc(O)ccc1O ZINC001455350354 1108467710 /nfs/dbraw/zinc/46/77/10/1108467710.db2.gz BTULESKHUSKZGK-GHMZBOCLSA-N 0 0 338.404 2.263 10 10 EECERN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1c(F)ccc(O)c1O ZINC001457738279 1109749593 /nfs/dbraw/zinc/74/95/93/1109749593.db2.gz LAUSLYJJVBQYLY-NSHDSACASA-N 0 0 344.342 2.052 10 10 EECERN COc1cccc(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3F)c1O ZINC001465991387 1110427810 /nfs/dbraw/zinc/42/78/10/1110427810.db2.gz CWLXMGOKCZLZSN-GFCCVEGCSA-N 0 0 344.342 2.282 10 10 EECERN COc1cccc(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)c1O ZINC001465991389 1110427832 /nfs/dbraw/zinc/42/78/32/1110427832.db2.gz CWLXMGOKCZLZSN-LBPRGKRZSA-N 0 0 344.342 2.282 10 10 EECERN CC1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@@]1=O ZINC001468082102 1110468656 /nfs/dbraw/zinc/46/86/56/1110468656.db2.gz SDFFFVUYQGBHGR-QHCPKHFHSA-N 0 0 336.417 2.222 10 10 EECERN CC(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC001469158620 1110486150 /nfs/dbraw/zinc/48/61/50/1110486150.db2.gz FBTPJYDBEJDFMG-UHFFFAOYSA-N 0 0 349.408 2.210 10 10 EECERN O=C(c1cccc(O)c1O)N1CCc2nccc(Br)c2C1 ZINC001472582969 1110560119 /nfs/dbraw/zinc/56/01/19/1110560119.db2.gz UAPAKDGDTGUYFB-UHFFFAOYSA-N 0 0 349.184 2.454 10 10 EECERN COc1c(C)cnc(CN(C)C(=O)Cc2ccc(O)c(O)c2)c1C ZINC001542430010 1124113262 /nfs/dbraw/zinc/11/32/62/1124113262.db2.gz BHVUFFBSGAQNCU-UHFFFAOYSA-N 0 0 330.384 2.319 10 10 EECERN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(CO)c(F)c1 ZINC001544929561 1124173337 /nfs/dbraw/zinc/17/33/37/1124173337.db2.gz GORAJXKIVCCORZ-UHFFFAOYSA-N 0 0 330.359 2.407 10 10 EECERN O=C(Nc1ccc(-c2nc(-c3ncc[nH]3)no2)cc1)C1=S=CC=C1 ZINC000349760414 238193057 /nfs/dbraw/zinc/19/30/57/238193057.db2.gz OYBMHQVKGYYKCR-UHFFFAOYSA-N 0 0 337.364 2.343 10 10 EECERN O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(O)c(O)c1 ZINC000097235068 219002386 /nfs/dbraw/zinc/00/23/86/219002386.db2.gz OZPCMDBWWUGBRJ-GFCCVEGCSA-N 0 0 334.322 2.385 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC000155947568 462962789 /nfs/dbraw/zinc/96/27/89/462962789.db2.gz YNMMSBXHGOEMFZ-CQSZACIVSA-N 0 0 326.352 2.143 10 10 EECERN CCc1noc([C@@H](C)N2CCN(Cc3cccc(OC)c3O)CC2)n1 ZINC000121400211 463129407 /nfs/dbraw/zinc/12/94/07/463129407.db2.gz TYNJHKNVSVFSKY-CYBMUJFWSA-N 0 0 346.431 2.225 10 10 EECERN Cc1cc(Br)cc(CN2CCS(=O)(=O)[C@@H](C)C2)c1O ZINC000123396424 463339112 /nfs/dbraw/zinc/33/91/12/463339112.db2.gz FWOUILRIKJRSMY-JTQLQIEISA-N 0 0 348.262 2.082 10 10 EECERN CCn1cc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cn1 ZINC000071888963 463458224 /nfs/dbraw/zinc/45/82/24/463458224.db2.gz FHYAGZQUKNKMSR-VMPITWQZSA-N 0 0 326.400 2.392 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3nn(C)cc32)cc1 ZINC000282965487 463718214 /nfs/dbraw/zinc/71/82/14/463718214.db2.gz KUMVYKDJYNTBQT-INIZCTEOSA-N 0 0 327.432 2.363 10 10 EECERN COC(=O)c1coc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000185053892 463743544 /nfs/dbraw/zinc/74/35/44/463743544.db2.gz FMQGTWIPFFTURN-UHFFFAOYSA-N 0 0 330.340 2.171 10 10 EECERN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2=O)n(C)n1 ZINC000186327641 463977983 /nfs/dbraw/zinc/97/79/83/463977983.db2.gz HWBBFWHKCDAOMX-DOMZBBRYSA-N 0 0 346.406 2.419 10 10 EECERN COc1ccc(N2CCCN(C(=O)Nc3cn(C)nc3C)CC2)cc1 ZINC000189583042 464530827 /nfs/dbraw/zinc/53/08/27/464530827.db2.gz OTPCVTLALJBCAZ-UHFFFAOYSA-N 0 0 343.431 2.481 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(C)C)cc2)CC1 ZINC000190584335 464682519 /nfs/dbraw/zinc/68/25/19/464682519.db2.gz UGJKHTBBLRMUJS-OALUTQOASA-N 0 0 343.471 2.263 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000273371129 464713888 /nfs/dbraw/zinc/71/38/88/464713888.db2.gz CMRGXMUFXYJUFZ-QGLTVNCISA-N 0 0 334.416 2.277 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ccccn1 ZINC000282419707 464811837 /nfs/dbraw/zinc/81/18/37/464811837.db2.gz GQKXGMFEBMJOJY-UHFFFAOYSA-N 0 0 341.411 2.346 10 10 EECERN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1[C@H]1CCOC1 ZINC000528859688 467768794 /nfs/dbraw/zinc/76/87/94/467768794.db2.gz FMCGGFQUMXHEOT-AWEZNQCLSA-N 0 0 330.384 2.408 10 10 EECERN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000361450380 533735435 /nfs/dbraw/zinc/73/54/35/533735435.db2.gz BFUJWUIANGTDAZ-ZHAHWJHGSA-N 0 0 339.779 2.053 10 10 EECERN C/C=C\C[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OCC ZINC000775117186 577430260 /nfs/dbraw/zinc/43/02/60/577430260.db2.gz ACVJIFFMFPXZKY-TXNVCOODSA-N 0 0 338.360 2.297 10 10 EECERN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000775353611 577435792 /nfs/dbraw/zinc/43/57/92/577435792.db2.gz WVGGLMZETFPFSH-NEPJUHHUSA-N 0 0 337.376 2.257 10 10 EECERN COc1ccc2c(c1)CCCCN2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000766273078 577516306 /nfs/dbraw/zinc/51/63/06/577516306.db2.gz TYFJXAFDALFLFH-AEFFLSMTSA-N 0 0 335.444 2.394 10 10 EECERN CCCN(CCC)c1ccc(CN2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000769502044 577579290 /nfs/dbraw/zinc/57/92/90/577579290.db2.gz SHGBVAIQWNHWFX-KRWDZBQOSA-N 0 0 347.503 2.338 10 10 EECERN CN1CCCc2cc(CNC(=O)c3ccc([N+](=O)[O-])cn3)ccc21 ZINC000762167904 577696372 /nfs/dbraw/zinc/69/63/72/577696372.db2.gz OZOWLQPOZXBCGV-UHFFFAOYSA-N 0 0 326.356 2.302 10 10 EECERN Cc1cc(C(=O)NC2(CC(N)=O)CCC2)c(C)n1-c1ccccn1 ZINC000754414399 577806090 /nfs/dbraw/zinc/80/60/90/577806090.db2.gz FYIKKBACFPSPSN-UHFFFAOYSA-N 0 0 326.400 2.017 10 10 EECERN CN(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000756644169 577847899 /nfs/dbraw/zinc/84/78/99/577847899.db2.gz GYLLEJRFXGGXCE-UHFFFAOYSA-N 0 0 328.324 2.219 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+](C)CCNC(=O)N(C)C)c1 ZINC000757865028 577865808 /nfs/dbraw/zinc/86/58/08/577865808.db2.gz KDHPEZLTHLLBNY-UHFFFAOYSA-N 0 0 344.253 2.166 10 10 EECERN CNC(=O)Cc1nc(CN(C)c2ccc(OC)c(OC)c2)cs1 ZINC000749152253 577971780 /nfs/dbraw/zinc/97/17/80/577971780.db2.gz CIUASFGPZFOKLA-UHFFFAOYSA-N 0 0 335.429 2.085 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCC[S@](=O)CC)cc1 ZINC000735092328 578133706 /nfs/dbraw/zinc/13/37/06/578133706.db2.gz DFMWATINKYBAGO-JOCHJYFZSA-N 0 0 325.478 2.101 10 10 EECERN Cc1[nH]c(=O)ccc1C(=O)NCc1cc(Br)ccc1O ZINC000804732975 675608539 /nfs/dbraw/zinc/60/85/39/675608539.db2.gz HGVJSBAIAWXPJG-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN CCNC(=O)CCCC(=O)NCc1cc(Br)ccc1O ZINC000804739124 675611979 /nfs/dbraw/zinc/61/19/79/675611979.db2.gz RDYGSDPFGRAURF-UHFFFAOYSA-N 0 0 343.221 2.077 10 10 EECERN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781907176 679289665 /nfs/dbraw/zinc/28/96/65/679289665.db2.gz FQNVLRKNCJIIDT-JTQLQIEISA-N 0 0 329.238 2.277 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC/C=C(\C)C(=O)OC)cc1 ZINC000914254318 683431592 /nfs/dbraw/zinc/43/15/92/683431592.db2.gz FXPFGTHWTNLFHO-SDNWHVSQSA-N 0 0 333.432 2.451 10 10 EECERN COc1cc(F)ccc1N1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237183602 683765110 /nfs/dbraw/zinc/76/51/10/683765110.db2.gz JFLJZAZIOBPESO-UHFFFAOYSA-N 0 0 343.402 2.308 10 10 EECERN CC(C)C(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895407167 684590120 /nfs/dbraw/zinc/59/01/20/684590120.db2.gz MFXJGKQNQQSUSS-UHFFFAOYSA-N 0 0 348.424 2.253 10 10 EECERN CCOc1cccc(CN2CCc3nc(COC)ncc3C2)c1O ZINC000895414364 684592619 /nfs/dbraw/zinc/59/26/19/684592619.db2.gz DWKWGJASLHLDTL-UHFFFAOYSA-N 0 0 329.400 2.286 10 10 EECERN CC(=O)NC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896004041 684804989 /nfs/dbraw/zinc/80/49/89/684804989.db2.gz YAZWRWUWWYSQGX-UHFFFAOYSA-N 0 0 334.397 2.053 10 10 EECERN Cn1cnnc1[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897281591 686524099 /nfs/dbraw/zinc/52/40/99/686524099.db2.gz PGQSEWNGSQMMLA-JTQLQIEISA-N 0 0 344.396 2.418 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@H](C(F)F)C1 ZINC000897678074 691739648 /nfs/dbraw/zinc/73/96/48/691739648.db2.gz DNOPGAVFWBMSMF-JTQLQIEISA-N 0 0 329.324 2.419 10 10 EECERN O=C(N[C@@H]1CCCN(CCF)C1)c1cc2cc(O)c(O)cc2s1 ZINC000898502434 693350951 /nfs/dbraw/zinc/35/09/51/693350951.db2.gz AQUPECDTUSRVTD-LLVKDONJSA-N 0 0 338.404 2.476 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCCO1 ZINC000794805242 1198007612 /nfs/dbraw/zinc/00/76/12/1198007612.db2.gz SUWASUYRJGCAQD-NSHDSACASA-N 0 0 329.194 2.133 10 10 EECERN COc1ccc(N(C)CCN(C)C(=S)NCc2cc(C)on2)cc1 ZINC000865240936 1198136252 /nfs/dbraw/zinc/13/62/52/1198136252.db2.gz QXNQXWFSKIHZOT-UHFFFAOYSA-N 0 0 348.472 2.434 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2nc([C@H]3C[C@H]3C)no2)cc1 ZINC000866015665 1198455725 /nfs/dbraw/zinc/45/57/25/1198455725.db2.gz HPGKKXIOHCRMKF-DOMZBBRYSA-N 0 0 344.415 2.410 10 10 EECERN O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc(N2CCOCC2)cc1 ZINC000877878063 1200145307 /nfs/dbraw/zinc/14/53/07/1200145307.db2.gz KYMRBRGTGOOAKQ-UHFFFAOYSA-N 0 0 349.774 2.295 10 10 EECERN CC(=O)C(=O)COC(=O)Cc1ccc(Br)cc1Cl ZINC000870074410 1200444985 /nfs/dbraw/zinc/44/49/85/1200444985.db2.gz VWNZJHBKTPFTHW-UHFFFAOYSA-N 0 0 333.565 2.346 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](C)O[C@@H]3C)CC2)c(OC)c1 ZINC000870166690 1200531381 /nfs/dbraw/zinc/53/13/81/1200531381.db2.gz TUMGFLMSROEMSE-IIAWOOMASA-N 0 0 348.443 2.166 10 10 EECERN CN(C)c1ccc(CNC(=O)NCc2c3c(nn2C)CCCC3)cc1 ZINC000812314568 1200635912 /nfs/dbraw/zinc/63/59/12/1200635912.db2.gz KMGQNMABBMXSHL-UHFFFAOYSA-N 0 0 341.459 2.364 10 10 EECERN CCOCn1nc(C)c(CC(=O)N2Cc3cccc(O)c3C2)c1C ZINC000871206259 1201099176 /nfs/dbraw/zinc/09/91/76/1201099176.db2.gz XMONKTDZVGMNIW-UHFFFAOYSA-N 0 0 329.400 2.284 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC000866205188 1201463969 /nfs/dbraw/zinc/46/39/69/1201463969.db2.gz BSPVCGUONSFUSQ-HNNXBMFYSA-N 0 0 342.399 2.366 10 10 EECERN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867691214 1201659942 /nfs/dbraw/zinc/65/99/42/1201659942.db2.gz RSRFPMIGWDNRFZ-UHFFFAOYSA-N 0 0 335.429 2.491 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c(OC)c1 ZINC000132148712 1202086282 /nfs/dbraw/zinc/08/62/82/1202086282.db2.gz GYQKMJVMICNVFN-IRXDYDNUSA-N 0 0 348.443 2.310 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCC2(CCC2)O1 ZINC000925098757 1206070020 /nfs/dbraw/zinc/07/00/20/1206070020.db2.gz UHONBUOBQCILMR-CQSZACIVSA-N 0 0 330.384 2.258 10 10 EECERN Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(COC2)O1 ZINC000929973194 1206523965 /nfs/dbraw/zinc/52/39/65/1206523965.db2.gz XYRSXFJVHSVSJK-IRXDYDNUSA-N 0 0 333.428 2.321 10 10 EECERN O=C(C[C@@H]1CC[C@@H](C2CC2)O1)NCc1ccc(N2CCOCC2)cc1 ZINC000930522917 1206564535 /nfs/dbraw/zinc/56/45/35/1206564535.db2.gz KKVVPTBMAFXBSQ-OALUTQOASA-N 0 0 344.455 2.487 10 10 EECERN O=C(C[C@@H]1CC[C@H](C2CC2)O1)NCc1ccc(N2CCOCC2)cc1 ZINC000930522919 1206564581 /nfs/dbraw/zinc/56/45/81/1206564581.db2.gz KKVVPTBMAFXBSQ-RBUKOAKNSA-N 0 0 344.455 2.487 10 10 EECERN CCOC(=O)C12CC(C1)CN2Cc1ccc(N2CCOCC2)cc1 ZINC000931065211 1206603922 /nfs/dbraw/zinc/60/39/22/1206603922.db2.gz GCOCGXFOWMVUGA-UHFFFAOYSA-N 0 0 330.428 2.051 10 10 EECERN COc1ccc(CNS(=O)(=O)c2ccc(F)c(OC)c2)c(O)c1 ZINC000795356974 1212008732 /nfs/dbraw/zinc/00/87/32/1212008732.db2.gz JRKJERWUAWYEKR-UHFFFAOYSA-N 0 0 341.360 2.027 10 10 EECERN CC(=O)C(=O)COC(=O)C1(Cc2ccccc2Br)CC1 ZINC000796367418 1213893168 /nfs/dbraw/zinc/89/31/68/1213893168.db2.gz ZQVOPKUYTYOQGZ-UHFFFAOYSA-N 0 0 339.185 2.473 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)c2ccccc2OC)c1 ZINC000901127959 1235257352 /nfs/dbraw/zinc/25/73/52/1235257352.db2.gz QQOUQGRHFBSFKP-DIFFPNOSSA-N 0 0 331.368 2.320 10 10 EECERN c1c(CNCc2ccc(N3CCOCC3)cc2)nnn1C1CCC1 ZINC000850068600 1277017367 /nfs/dbraw/zinc/01/73/67/1277017367.db2.gz HJSXGOHHIHOTGG-UHFFFAOYSA-N 0 0 327.432 2.130 10 10 EECERN C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850563506 1277267432 /nfs/dbraw/zinc/26/74/32/1277267432.db2.gz ZCLJRSHJALVKDV-GXTWGEPZSA-N 0 0 348.403 2.241 10 10 EECERN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)NCCc2ccc(N)cc2)cn1 ZINC000851663118 1277707396 /nfs/dbraw/zinc/70/73/96/1277707396.db2.gz TWTFLULHKZVBQP-SJLPKXTDSA-N 0 0 341.459 2.255 10 10 EECERN O=C(NCc1cc(Cl)cc(Cl)c1[O-])NCC12CC(C1)C[NH2+]2 ZINC000851677989 1277715329 /nfs/dbraw/zinc/71/53/29/1277715329.db2.gz YZBFTBFTGUMJCX-UHFFFAOYSA-N 0 0 330.215 2.250 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCOC(C)(C)C)C2)cc1 ZINC000852029302 1291962010 /nfs/dbraw/zinc/96/20/10/1291962010.db2.gz HYCIADNDKBIUPW-CQSZACIVSA-N 0 0 335.448 2.388 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CO)C3CCCC3)C2)cc1 ZINC000852448939 1292116337 /nfs/dbraw/zinc/11/63/37/1292116337.db2.gz ODTYQRFLYKECDE-QAPCUYQASA-N 0 0 347.459 2.124 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1CCC1SCCS1 ZINC000853089282 1292277354 /nfs/dbraw/zinc/27/73/54/1292277354.db2.gz NIYOORBQPMCDQA-UHFFFAOYSA-N 0 0 338.454 2.353 10 10 EECERN C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H](C)C1O ZINC000853855878 1292491743 /nfs/dbraw/zinc/49/17/43/1292491743.db2.gz JHIQZMOYVWJPPG-GHMZBOCLSA-N 0 0 329.491 2.284 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)[C@H]2C[C@@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000853958438 1292554655 /nfs/dbraw/zinc/55/46/55/1292554655.db2.gz CMTXLTLQKYCSIM-ZVYZJRAXSA-N 0 0 348.355 2.169 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000854176758 1292661784 /nfs/dbraw/zinc/66/17/84/1292661784.db2.gz MEZKINMTJDFVGW-SIXWZSSISA-N 0 0 331.460 2.158 10 10 EECERN CCC[C@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301312 1292711966 /nfs/dbraw/zinc/71/19/66/1292711966.db2.gz NICGPLJXJBPWMF-KDOFPFPSSA-N 0 0 335.448 2.124 10 10 EECERN Cc1cc(CC(=O)NC2COCCOC2)c(C)n1-c1ccccc1 ZINC000854599393 1292880694 /nfs/dbraw/zinc/88/06/94/1292880694.db2.gz RPAIVSIBXDROAM-UHFFFAOYSA-N 0 0 328.412 2.168 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@@H](OC)C3)C2)cc1 ZINC000854981232 1293018959 /nfs/dbraw/zinc/01/89/59/1293018959.db2.gz MEUVTTVZTKGQJJ-IIDMSEBBSA-N 0 0 332.444 2.453 10 10 EECERN CO[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCOC1 ZINC000855208194 1293111264 /nfs/dbraw/zinc/11/12/64/1293111264.db2.gz XJRUOUDDCMYZJF-WBVHZDCISA-N 0 0 343.427 2.270 10 10 EECERN COCc1ncsc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223003 1293116250 /nfs/dbraw/zinc/11/62/50/1293116250.db2.gz AQFQQYULEJNPCE-GFCCVEGCSA-N 0 0 347.440 2.307 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)Oc3ccccn3)C2)cc1 ZINC000855226285 1293118849 /nfs/dbraw/zinc/11/88/49/1293118849.db2.gz QYAYFCSENDTDRO-LSDHHAIUSA-N 0 0 341.411 2.253 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3cnn(C)c3C)C2)cc1 ZINC000855231468 1293122208 /nfs/dbraw/zinc/12/22/08/1293122208.db2.gz AHNASSSKDLNTSC-MRXNPFEDSA-N 0 0 342.443 2.065 10 10 EECERN C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(F)cc1[O-] ZINC000858564995 1294155700 /nfs/dbraw/zinc/15/57/00/1294155700.db2.gz FGAOBMQZNUCXCP-YOEHRIQHSA-N 0 0 345.418 2.478 10 10 EECERN COc1nc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)co1 ZINC000859097781 1294316894 /nfs/dbraw/zinc/31/68/94/1294316894.db2.gz VMAULGKEZSTJNR-UHFFFAOYSA-N 0 0 331.372 2.091 10 10 EECERN Cn1ncc(C(F)(F)F)c1CNC(=O)NCCc1ccc(N)cc1 ZINC000861642077 1295487388 /nfs/dbraw/zinc/48/73/88/1295487388.db2.gz ZURXWTGWWBALTH-UHFFFAOYSA-N 0 0 341.337 2.063 10 10 EECERN CN(C)c1cc(F)c(CN2CCOC[C@@H]2c2ccnn2C)cc1F ZINC000862403385 1295831043 /nfs/dbraw/zinc/83/10/43/1295831043.db2.gz ZKEUCULCTJIDDP-QGZVFWFLSA-N 0 0 336.386 2.338 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(COCCO)cc1 ZINC001299713415 1319994293 /nfs/dbraw/zinc/99/42/93/1319994293.db2.gz VBCASYOCMSVOBS-YWEYNIOJSA-N 0 0 329.352 2.259 10 10 EECERN COC(=O)c1ccc(/C=C\C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC001138152154 1314557221 /nfs/dbraw/zinc/55/72/21/1314557221.db2.gz BIASMCAUOLSNMU-UIJKISKDSA-N 0 0 345.351 2.238 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CSCCSCCO)cc1 ZINC000840205704 1315326768 /nfs/dbraw/zinc/32/67/68/1315326768.db2.gz FHBBPKWURXUMJZ-UHFFFAOYSA-N 0 0 342.530 2.170 10 10 EECERN O=C(CCC(=O)c1ccc(Cl)cn1)NCc1ccc(O)cc1O ZINC001299573949 1319525852 /nfs/dbraw/zinc/52/58/52/1319525852.db2.gz LZZODRYOBCRMSW-UHFFFAOYSA-N 0 0 334.759 2.426 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC001299574480 1319527521 /nfs/dbraw/zinc/52/75/21/1319527521.db2.gz RENRHQRVADQIPS-HAQNSBGRSA-N 0 0 336.388 2.017 10 10 EECERN C[C@H](NC(=O)C1=C[S@](=O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC001292234987 1328372895 /nfs/dbraw/zinc/37/28/95/1328372895.db2.gz BMHGZXLIQZIUEQ-LFPIHBKWSA-N 0 0 348.468 2.127 10 10 EECERN CCOC(=O)[C@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC001294925610 1329764559 /nfs/dbraw/zinc/76/45/59/1329764559.db2.gz QRVOOOBHDMCMOM-INIZCTEOSA-N 0 0 343.379 2.364 10 10 EECERN CCOCc1nnc(N(C)OC)n1Cc1ccc(N(C)C)cc1C ZINC001297078895 1329941687 /nfs/dbraw/zinc/94/16/87/1329941687.db2.gz MMWMMRZTXKKGLA-UHFFFAOYSA-N 0 0 333.436 2.235 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1cnc(Br)s1 ZINC001297798026 1330004791 /nfs/dbraw/zinc/00/47/91/1330004791.db2.gz ZQVOZBZIOSHSKH-UHFFFAOYSA-N 0 0 343.202 2.176 10 10 EECERN C/C=C(/C)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001299005352 1330146829 /nfs/dbraw/zinc/14/68/29/1330146829.db2.gz NQFHQZJVPJOKGU-NNEUYQGQSA-N 0 0 343.387 2.146 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(O)cn3)C2)cc1 ZINC001299770406 1330166843 /nfs/dbraw/zinc/16/68/43/1330166843.db2.gz RGWZWOOWXITKQQ-ZDUSSCGKSA-N 0 0 327.384 2.052 10 10 EECERN C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001299984640 1330169691 /nfs/dbraw/zinc/16/96/91/1330169691.db2.gz JGJLEAWCGAFSMX-KKZNHRDASA-N 0 0 348.424 2.427 10 10 EECERN CC(C)C(=O)N(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001492404147 1331220558 /nfs/dbraw/zinc/22/05/58/1331220558.db2.gz RXOVSGSMXFOTCJ-UHFFFAOYSA-N 0 0 333.392 2.083 10 10 EECERN CCCn1cc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)nn1 ZINC001303247038 1331350877 /nfs/dbraw/zinc/35/08/77/1331350877.db2.gz LZBBLOVLTMXZKP-UHFFFAOYSA-N 0 0 338.415 2.421 10 10 EECERN CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)cc1 ZINC000901952287 1331528917 /nfs/dbraw/zinc/52/89/17/1331528917.db2.gz RBKQUONMDUWGEU-CAWFPENKSA-N 0 0 330.428 2.189 10 10 EECERN NC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC001318521268 1332555044 /nfs/dbraw/zinc/55/50/44/1332555044.db2.gz SUWYPLOOHLHRFB-UHFFFAOYSA-N 0 0 345.424 2.187 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001325934501 1333999602 /nfs/dbraw/zinc/99/96/02/1333999602.db2.gz FQCSKNKARPVHQM-VIBAHUMZSA-N 0 0 343.471 2.023 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC001347390283 1337508070 /nfs/dbraw/zinc/50/80/70/1337508070.db2.gz QURVMOZXFBJZBF-LUPIEILUSA-N 0 0 342.439 2.488 10 10 EECERN CCOC(=O)CN(Cc1cc(Cl)n(C)n1)Cc1ccccc1O ZINC001348169129 1337540461 /nfs/dbraw/zinc/54/04/61/1337540461.db2.gz MLLKTPPOJHEEGF-UHFFFAOYSA-N 0 0 337.807 2.344 10 10 EECERN COc1ccc(N2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000847365325 1337983033 /nfs/dbraw/zinc/98/30/33/1337983033.db2.gz KGKDYBOQXAMPGK-INIZCTEOSA-N 0 0 331.460 2.076 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)cc1 ZINC001354415113 1338506581 /nfs/dbraw/zinc/50/65/81/1338506581.db2.gz ROCBYFMBYVYHBO-RYQLBKOJSA-N 0 0 343.471 2.454 10 10 EECERN COC(=O)/C=C\c1ccc(C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC001355879320 1338762797 /nfs/dbraw/zinc/76/27/97/1338762797.db2.gz VNVZITYNBGWVLL-LUAWRHEFSA-N 0 0 328.368 2.462 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@H](c3noc(C)n3)C2)cc1OC ZINC001612903282 1352312195 /nfs/dbraw/zinc/31/21/95/1352312195.db2.gz LECBZUXSRIGUQJ-JTQLQIEISA-N 0 0 334.332 2.297 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC001616487792 1352329372 /nfs/dbraw/zinc/32/93/72/1352329372.db2.gz HULKQBNLWNUGRH-UONOGXRCSA-N 0 0 337.441 2.153 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC001556301759 1342426914 /nfs/dbraw/zinc/42/69/14/1342426914.db2.gz SPKFPKUBBKYJRG-LJQANCHMSA-N 0 0 325.364 2.298 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cncn1-c1ccc(F)cc1 ZINC001557084996 1342440601 /nfs/dbraw/zinc/44/06/01/1342440601.db2.gz XQHQDFYXSAFBIL-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001595061013 1349880400 /nfs/dbraw/zinc/88/04/00/1349880400.db2.gz GFMGHPSSCXJIDF-GXFFZTMASA-N 0 0 333.306 2.257 10 10 EECERN Cc1nc2sccn2c1CN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001621039477 1350325893 /nfs/dbraw/zinc/32/58/93/1350325893.db2.gz IZMNZXNZKQHREV-UHFFFAOYSA-N 0 0 331.397 2.317 10 10 EECERN COc1cccc(-n2cc(C(=O)N(C)Cc3ccccc3O)nn2)c1 ZINC001622317385 1352381472 /nfs/dbraw/zinc/38/14/72/1352381472.db2.gz IMNINGDIHWWJQE-UHFFFAOYSA-N 0 0 338.367 2.254 10 10 EECERN C[C@@H](C(=O)NCc1ccc(O)cc1O)[C@H](C)NC(=O)OC(C)(C)C ZINC001626838096 1352474865 /nfs/dbraw/zinc/47/48/65/1352474865.db2.gz NMFSUTJTUVNBRM-MNOVXSKESA-N 0 0 338.404 2.263 10 10 EECERN Cc1cc(C(F)F)n(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001632681811 1352600969 /nfs/dbraw/zinc/60/09/69/1352600969.db2.gz VRESVNCQRGILFO-SECBINFHSA-N 0 0 339.342 2.288 10 10 EECERN C[C@H](C[S@](C)=O)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001633541569 1352612067 /nfs/dbraw/zinc/61/20/67/1352612067.db2.gz WJMUBXLDCNSLGB-FATZIPQQSA-N 0 0 337.489 2.195 10 10 EECERN O=C(CSCC(=O)c1ccccc1)NCc1cc(O)ccc1O ZINC001644752580 1352768126 /nfs/dbraw/zinc/76/81/26/1352768126.db2.gz LGVLRCNDCBHTOP-UHFFFAOYSA-N 0 0 331.393 2.330 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1 ZINC001648438474 1353429484 /nfs/dbraw/zinc/42/94/84/1353429484.db2.gz JYVSRVLURISOGM-UHFFFAOYSA-N 0 0 327.226 2.238 10 10 EECERN O=C(NCc1cccc(Cl)c1O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001648609484 1353435995 /nfs/dbraw/zinc/43/59/95/1353435995.db2.gz ZOYJWZQLIDWCBR-CQSZACIVSA-N 0 0 336.731 2.304 10 10 EECERN O=C(NCc1ccc(OC(F)F)cn1)c1c(F)ccc(O)c1O ZINC001648749993 1353442438 /nfs/dbraw/zinc/44/24/38/1353442438.db2.gz IMNCIEYWHNFMFQ-UHFFFAOYSA-N 0 0 328.246 2.163 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H](c2nccn2C)C1 ZINC001673545113 1356708562 /nfs/dbraw/zinc/70/85/62/1356708562.db2.gz COYWFYWVALYSEW-ZBFHGGJFSA-N 0 0 344.415 2.187 10 10 EECERN CN(CC(=O)NC(C)(C)C)C(=O)NCCCSc1nccs1 ZINC000154646454 768920372 /nfs/dbraw/zinc/92/03/72/768920372.db2.gz FSCZTTKGRGOUEL-UHFFFAOYSA-N 0 0 344.506 2.181 10 10 EECERN Cc1cc(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)nn1C ZINC000919919030 770452335 /nfs/dbraw/zinc/45/23/35/770452335.db2.gz UQBPWQXSRDQGBR-UHFFFAOYSA-N 0 0 339.443 2.147 10 10 EECERN CC1(C)CN(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000816921594 784334915 /nfs/dbraw/zinc/33/49/15/784334915.db2.gz ATUPBHXWQBMENA-INIZCTEOSA-N 0 0 332.444 2.242 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)NC3COCCOC3)c2C)cc1 ZINC000816921342 784335613 /nfs/dbraw/zinc/33/56/13/784335613.db2.gz TZOWWCWOSCXAKM-UHFFFAOYSA-N 0 0 344.411 2.248 10 10 EECERN Cc1cccnc1CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819170207 785445250 /nfs/dbraw/zinc/44/52/50/785445250.db2.gz YVSSUYWQDPIDNL-UHFFFAOYSA-N 0 0 325.368 2.103 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\[C@H]1CCCO1 ZINC000819700214 785647891 /nfs/dbraw/zinc/64/78/91/785647891.db2.gz UOFXESAUKVGRNY-FJVVXJACSA-N 0 0 333.384 2.019 10 10 EECERN CCC/C=C\[C@@H](O)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001136336234 785901211 /nfs/dbraw/zinc/90/12/11/785901211.db2.gz ICJINSNRCOPHRJ-LZCIBIBXSA-N 0 0 332.444 2.451 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000909829475 786260604 /nfs/dbraw/zinc/26/06/04/786260604.db2.gz OGWGHBQFERTDJI-CYBMUJFWSA-N 0 0 347.367 2.227 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(OC)cn3)C2)cc1 ZINC000822518685 787232444 /nfs/dbraw/zinc/23/24/44/787232444.db2.gz RCCIEHOLCMUVOR-ZDUSSCGKSA-N 0 0 342.399 2.499 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(OC)cn3)C2)cc1 ZINC000822518684 787232643 /nfs/dbraw/zinc/23/26/43/787232643.db2.gz RCCIEHOLCMUVOR-CYBMUJFWSA-N 0 0 342.399 2.499 10 10 EECERN CCC/C=C/[C@H](O)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276855 787348020 /nfs/dbraw/zinc/34/80/20/787348020.db2.gz OZKMAKWFBQNYLT-PWSDSBMBSA-N 0 0 332.444 2.355 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(n1)OCCO2 ZINC000825013457 788394545 /nfs/dbraw/zinc/39/45/45/788394545.db2.gz RGBFTJMXWYPYMB-SNVBAGLBSA-N 0 0 345.355 2.017 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1 ZINC000825130164 788449657 /nfs/dbraw/zinc/44/96/57/788449657.db2.gz OJLMFVBVZIHIMQ-RISCZKNCSA-N 0 0 344.249 2.435 10 10 EECERN COc1ccc(N(C)CC(=O)N2C[C@H](C)OC(C)(C)C2)cc1OC ZINC000929348814 788625651 /nfs/dbraw/zinc/62/56/51/788625651.db2.gz VUMDBIITSYYQLE-ZDUSSCGKSA-N 0 0 336.432 2.166 10 10 EECERN Cc1ccc(C(=O)N2CC(c3ncc(C4CC4)cn3)C2)c(O)c1O ZINC000913620042 793985922 /nfs/dbraw/zinc/98/59/22/793985922.db2.gz HXUODGYFQGAQOP-UHFFFAOYSA-N 0 0 325.368 2.313 10 10 EECERN C[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1)c1ccccc1O ZINC000913763556 794247917 /nfs/dbraw/zinc/24/79/17/794247917.db2.gz KHBKPTZOYDBQBM-SGTLLEGYSA-N 0 0 335.400 2.460 10 10 EECERN O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1c(O)cccc1F ZINC001178410890 799465044 /nfs/dbraw/zinc/46/50/44/799465044.db2.gz XMRULYHNTAUYEL-UHFFFAOYSA-N 0 0 344.342 2.111 10 10 EECERN CN(CCCC(=O)NCc1c(O)cccc1O)C(=O)OC(C)(C)C ZINC001178912796 799698482 /nfs/dbraw/zinc/69/84/82/799698482.db2.gz XNJNSUQAADAAPH-UHFFFAOYSA-N 0 0 338.404 2.361 10 10 EECERN C[C@H](NC(=O)N1C[C@H](O)CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000786815262 806910994 /nfs/dbraw/zinc/91/09/94/806910994.db2.gz KREARLNABPMNRI-SMDDNHRTSA-N 0 0 327.375 2.225 10 10 EECERN C[NH+](C)CC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000922629902 801547041 /nfs/dbraw/zinc/54/70/41/801547041.db2.gz AXXBJJLAQKQSOX-MRXNPFEDSA-N 0 0 330.388 2.478 10 10 EECERN Cc1ccc(C(=O)OCCN(C)C(=O)OC(C)(C)C)c(O)c1O ZINC000791364808 809215125 /nfs/dbraw/zinc/21/51/25/809215125.db2.gz WDARVDOWOOSHFM-UHFFFAOYSA-N 0 0 325.361 2.430 10 10 EECERN COc1c(O)c(CN(CCO)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000793365740 810286351 /nfs/dbraw/zinc/28/63/51/810286351.db2.gz NOPSLUAOHRRUEY-UHFFFAOYSA-N 0 0 336.344 2.205 10 10 EECERN CC(=O)C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000808009352 812413520 /nfs/dbraw/zinc/41/35/20/812413520.db2.gz CNRRYQYCMTXCIW-UHFFFAOYSA-N 0 0 330.340 2.422 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000808532285 812702569 /nfs/dbraw/zinc/70/25/69/812702569.db2.gz QXMMJLYKWATEFR-SECBINFHSA-N 0 0 327.174 2.329 10 10 EECERN COC(=O)[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2ccc(F)cc2O1 ZINC001437269315 1089417110 /nfs/dbraw/zinc/41/71/10/1089417110.db2.gz OPXFPOWXVJZALS-RRGWEWPQSA-N 0 0 342.326 2.201 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2nncn2C)cc1 ZINC001466771062 1110443351 /nfs/dbraw/zinc/44/33/51/1110443351.db2.gz UXWSKADZFZLRJD-UHFFFAOYSA-N 0 0 337.383 2.216 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1cc(OC)no1 ZINC001467840170 1110464856 /nfs/dbraw/zinc/46/48/56/1110464856.db2.gz KEZXCSOJARDVPA-UHFFFAOYSA-N 0 0 325.361 2.124 10 10 EECERN Cn1cc(C2=CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)cn1 ZINC001469996058 1110499591 /nfs/dbraw/zinc/49/95/91/1110499591.db2.gz LBOZMPKSQMKJTE-ALCCZGGFSA-N 0 0 325.368 2.160 10 10 EECERN Cc1ccc(NC(=O)N(C)C)c(C(=O)NCc2cccc(O)c2O)c1 ZINC001471641982 1110526412 /nfs/dbraw/zinc/52/64/12/1110526412.db2.gz DYDCDFKVFWNAOB-UHFFFAOYSA-N 0 0 343.383 2.430 10 10 EECERN COC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001472899389 1110565469 /nfs/dbraw/zinc/56/54/69/1110565469.db2.gz XAPKGVHDTJBICP-AWEZNQCLSA-N 0 0 330.340 2.245 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)CC1CC1 ZINC001508927484 1115683940 /nfs/dbraw/zinc/68/39/40/1115683940.db2.gz GQOTYNMKFCNRTP-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN COCC[C@@H]1CCN(C(=O)c2ccoc2CC(N)=O)c2ccccc21 ZINC001520992185 1119206761 /nfs/dbraw/zinc/20/67/61/1119206761.db2.gz HNSCRTDKJUSXHN-ZDUSSCGKSA-N 0 0 342.395 2.478 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001521852726 1119280051 /nfs/dbraw/zinc/28/00/51/1119280051.db2.gz ZKHMFJSRGNVDMS-WDEREUQCSA-N 0 0 333.306 2.462 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](CCO)[C@H](CO)C2)cc1 ZINC001522643791 1119447368 /nfs/dbraw/zinc/44/73/68/1119447368.db2.gz DXNMNWFVEWJQSJ-ROUUACIJSA-N 0 0 342.439 2.157 10 10 EECERN Cc1cc(CC(=O)Nc2nccn(C)c2=O)c(C)n1-c1ccccc1 ZINC001523716264 1119835545 /nfs/dbraw/zinc/83/55/45/1119835545.db2.gz MQTDRAQHBZIQMU-UHFFFAOYSA-N 0 0 336.395 2.369 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2n(n1)CCC[C@@H]2O ZINC001543309203 1124127362 /nfs/dbraw/zinc/12/73/62/1124127362.db2.gz AYLJJNDVWKASKM-KRWDZBQOSA-N 0 0 328.416 2.015 10 10 EECERN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001543679321 1124133216 /nfs/dbraw/zinc/13/32/16/1124133216.db2.gz OZNKQVXLHACHRZ-AWEZNQCLSA-N 0 0 348.443 2.041 10 10 EECERN COC(=O)c1cc(S(=O)(=O)[N-][N+]#N)c(Br)s1 ZINC000034669578 212981206 /nfs/dbraw/zinc/98/12/06/212981206.db2.gz AUXCMNMVTYBUOP-UHFFFAOYSA-N 0 0 326.153 2.296 10 10 EECERN Cn1ccnc1SCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000060457312 462551796 /nfs/dbraw/zinc/55/17/96/462551796.db2.gz SWQGAONPQRCJTN-UHFFFAOYSA-N 0 0 330.457 2.211 10 10 EECERN Cc1cnn(CCNC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000118067549 462821486 /nfs/dbraw/zinc/82/14/86/462821486.db2.gz FIEZPMMMMJGCIE-UHFFFAOYSA-N 0 0 327.432 2.073 10 10 EECERN COC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155714426 462933627 /nfs/dbraw/zinc/93/36/27/462933627.db2.gz NFMOYDDXZGRIFI-INIZCTEOSA-N 0 0 343.427 2.157 10 10 EECERN CCN(C[C@H]1CCOC1)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 ZINC000096298394 463234295 /nfs/dbraw/zinc/23/42/95/463234295.db2.gz LEDNGTXXDHSHTN-GNJLHFKMSA-N 0 0 344.455 2.421 10 10 EECERN c1cc(N2CCOCC2)ccc1CNCc1nnc2n1CCCCC2 ZINC000071831324 463434712 /nfs/dbraw/zinc/43/47/12/463434712.db2.gz CWPDIZRPLXAJIB-UHFFFAOYSA-N 0 0 341.459 2.131 10 10 EECERN CCN1C(=O)/C(=C/c2c(Br)cnn2C)SC1=S ZINC000278201795 463958594 /nfs/dbraw/zinc/95/85/94/463958594.db2.gz HAMDRDQWSHNBBI-YWEYNIOJSA-N 0 0 332.248 2.404 10 10 EECERN Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c(O)c1O ZINC000179490446 464145672 /nfs/dbraw/zinc/14/56/72/464145672.db2.gz YOVBDGCHCSHBJH-OAHLLOKOSA-N 0 0 340.379 2.284 10 10 EECERN Cc1ccc(C(=O)NCc2cn(C)nc2C(F)(F)F)c(O)c1O ZINC000182883358 464748996 /nfs/dbraw/zinc/74/89/96/464748996.db2.gz LFTUYJOUURABKJ-UHFFFAOYSA-N 0 0 329.278 2.089 10 10 EECERN Cc1cc(C(=O)CN2C[C@@H](O)C[C@@H]2CO)c(C)n1-c1ccccc1C ZINC000184738403 465023247 /nfs/dbraw/zinc/02/32/47/465023247.db2.gz ZEVNAQCPIYSKEY-SJORKVTESA-N 0 0 342.439 2.013 10 10 EECERN COc1c([O-])c(C[NH2+]C[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000774970076 577425114 /nfs/dbraw/zinc/42/51/14/577425114.db2.gz UXRPCNHMNKQTRN-LBPRGKRZSA-N 0 0 346.339 2.239 10 10 EECERN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000775371880 577436082 /nfs/dbraw/zinc/43/60/82/577436082.db2.gz XEAODMBDGVTHSZ-QDCWTVBJSA-N 0 0 348.399 2.094 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN[C@H](CO)c2ccsc2)cc1 ZINC000770689671 577601817 /nfs/dbraw/zinc/60/18/17/577601817.db2.gz QXQGGEPUKKRQJG-QGZVFWFLSA-N 0 0 347.484 2.096 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@]4(CCCOC4)C3)cc2N1 ZINC000761908041 577691351 /nfs/dbraw/zinc/69/13/51/577691351.db2.gz MBMHWWUEVAOXIM-KRWDZBQOSA-N 0 0 347.371 2.323 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1cncnc1 ZINC000764356991 577734776 /nfs/dbraw/zinc/73/47/76/577734776.db2.gz TUCSYRKGHXWBCA-AWEZNQCLSA-N 0 0 342.468 2.450 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000756596338 577847377 /nfs/dbraw/zinc/84/73/77/577847377.db2.gz ZFPWMNFWRDQVRV-CYBMUJFWSA-N 0 0 341.407 2.359 10 10 EECERN C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756779376 577850121 /nfs/dbraw/zinc/85/01/21/577850121.db2.gz JUNRKVGKBTXVHW-LLVKDONJSA-N 0 0 342.417 2.166 10 10 EECERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@]3(CC=CCC3)C1)cc2=O ZINC000738702155 578024263 /nfs/dbraw/zinc/02/42/63/578024263.db2.gz GBJNAPGQWJYSDL-GOSISDBHSA-N 0 0 342.399 2.455 10 10 EECERN C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894843803 683182796 /nfs/dbraw/zinc/18/27/96/683182796.db2.gz YSBDQQZCWSXKPK-ZANVPECISA-N 0 0 329.213 2.430 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC/C=C(/C)C(=O)OC)cc1 ZINC000914254317 683431511 /nfs/dbraw/zinc/43/15/11/683431511.db2.gz FXPFGTHWTNLFHO-KAMYIIQDSA-N 0 0 333.432 2.451 10 10 EECERN CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)[n-]1 ZINC000895240975 684361836 /nfs/dbraw/zinc/36/18/36/684361836.db2.gz HRTHGFVJHKVHDG-LBPRGKRZSA-N 0 0 331.420 2.207 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000897791237 691784193 /nfs/dbraw/zinc/78/41/93/691784193.db2.gz HEQUQHMHARCKMN-KCMWZYNZSA-N 0 0 343.471 2.086 10 10 EECERN CO[C@@H]1COCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897892047 691813598 /nfs/dbraw/zinc/81/35/98/691813598.db2.gz CJLMYUXWPGBJJI-TVQRCGJNSA-N 0 0 337.397 2.094 10 10 EECERN CC[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCN1CC(F)F ZINC000841959046 1188209233 /nfs/dbraw/zinc/20/92/33/1188209233.db2.gz KOLSRYOLCWLRPI-HNNXBMFYSA-N 0 0 340.418 2.182 10 10 EECERN C[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000132604033 1190869649 /nfs/dbraw/zinc/86/96/49/1190869649.db2.gz FJZSOOZCDNVJPA-ZCFIWIBFSA-N 0 0 339.027 2.388 10 10 EECERN CN(C)c1ccc(CNC(=O)/C=C/COC2CCOCC2)cc1F ZINC000865051704 1198063958 /nfs/dbraw/zinc/06/39/58/1198063958.db2.gz SHZXLPMNOCANNQ-ONEGZZNKSA-N 0 0 336.407 2.260 10 10 EECERN COc1c(O)c(CN2CCN(C)c3ncccc3C2)ccc1[N+](=O)[O-] ZINC000872267455 1198119977 /nfs/dbraw/zinc/11/99/77/1198119977.db2.gz QZOALVVHTFFJFB-UHFFFAOYSA-N 0 0 344.371 2.156 10 10 EECERN CN(C)c1cc(F)c(CNc2nc(-c3nccn3C)no2)cc1F ZINC000865289860 1198154038 /nfs/dbraw/zinc/15/40/38/1198154038.db2.gz HLMHWMUYFKUPOQ-UHFFFAOYSA-N 0 0 334.330 2.426 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000865323397 1198168286 /nfs/dbraw/zinc/16/82/86/1198168286.db2.gz OJQIFBIMNAKCTL-CRAIPNDOSA-N 0 0 344.411 2.362 10 10 EECERN O=C(/C=C/COC1CCOCC1)NCCCSc1nccs1 ZINC000865784796 1198374346 /nfs/dbraw/zinc/37/43/46/1198374346.db2.gz JIGCPUHXXUATGM-HNQUOIGGSA-N 0 0 342.486 2.493 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)cc1 ZINC000814254967 1199400420 /nfs/dbraw/zinc/40/04/20/1199400420.db2.gz PWUPSUCAXPFRJL-OAHLLOKOSA-N 0 0 339.443 2.100 10 10 EECERN COC[C@H]1CCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000814364599 1199446686 /nfs/dbraw/zinc/44/66/86/1199446686.db2.gz INXQSMJCRZZKAA-WMLDXEAASA-N 0 0 333.432 2.015 10 10 EECERN C[C@@H]1C[C@H](C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000869655065 1200201901 /nfs/dbraw/zinc/20/19/01/1200201901.db2.gz VTYYAYGDXJWYHD-CPUCHLNUSA-N 0 0 348.443 2.068 10 10 EECERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)NCc1ccccc1O ZINC000812019974 1200454208 /nfs/dbraw/zinc/45/42/08/1200454208.db2.gz VAYNOYADMRDECW-SREVYHEPSA-N 0 0 335.404 2.272 10 10 EECERN Cc1cn(C)nc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000826071323 1200642090 /nfs/dbraw/zinc/64/20/90/1200642090.db2.gz LKDOPLLCFYHSHH-UHFFFAOYSA-N 0 0 343.431 2.229 10 10 EECERN Oc1ccc(Br)cc1CNC(=S)NC[C@@H]1CCOC1 ZINC000795154247 1201014136 /nfs/dbraw/zinc/01/41/36/1201014136.db2.gz MMGOUJUDDUOFGP-VIFPVBQESA-N 0 0 345.262 2.155 10 10 EECERN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202901 1201098751 /nfs/dbraw/zinc/09/87/51/1201098751.db2.gz ONCQKGGFADHALQ-HNNXBMFYSA-N 0 0 333.432 2.357 10 10 EECERN Cc1nn(C)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c1C(F)F ZINC000867691041 1201660139 /nfs/dbraw/zinc/66/01/39/1201660139.db2.gz QBKFANUWEOSJIX-UHFFFAOYSA-N 0 0 343.355 2.076 10 10 EECERN COc1ccc(N2CCN(C(=O)NCC(C)(C)F)CC2)c(OC)c1 ZINC000868840020 1201890624 /nfs/dbraw/zinc/89/06/24/1201890624.db2.gz UWXVTZVZKUGFKI-UHFFFAOYSA-N 0 0 339.411 2.284 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ncccc3OC)C2)cc1 ZINC000869229192 1201969952 /nfs/dbraw/zinc/96/99/52/1201969952.db2.gz STMOBPJQXHSMSR-CYBMUJFWSA-N 0 0 327.384 2.108 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)Cn3ccc(C)n3)C2)cc1 ZINC000869228877 1201969954 /nfs/dbraw/zinc/96/99/54/1201969954.db2.gz PJFXXZSIFAMIFM-HOCLYGCPSA-N 0 0 342.443 2.231 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000133911863 1202251420 /nfs/dbraw/zinc/25/14/20/1202251420.db2.gz QNEJFYUFGRHFFE-UHFFFAOYSA-N 0 0 346.390 2.229 10 10 EECERN CN(C)c1ccc(CN(C(=O)[C@@H]2CC[C@H](C(N)=O)C2)C2CC2)cc1 ZINC000887961092 1204519705 /nfs/dbraw/zinc/51/97/05/1204519705.db2.gz CKMZSVKDLVRAND-LSDHHAIUSA-N 0 0 329.444 2.145 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC001297562505 1205761923 /nfs/dbraw/zinc/76/19/23/1205761923.db2.gz MJFFYXCDSIJISS-OLZOCXBDSA-N 0 0 328.405 2.078 10 10 EECERN O=C(C[C@@H]1CC[C@@H](C(F)(F)F)O1)OCC(=O)c1ccc(O)c(O)c1 ZINC000923720113 1205902062 /nfs/dbraw/zinc/90/20/62/1205902062.db2.gz AXQKKSAALPJING-ZANVPECISA-N 0 0 348.273 2.324 10 10 EECERN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)O2 ZINC000924275685 1205953941 /nfs/dbraw/zinc/95/39/41/1205953941.db2.gz QENKKONIRWBGFK-MGVLJBRASA-N 0 0 347.411 2.200 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CC(=O)N(C)C1 ZINC000924736277 1206025748 /nfs/dbraw/zinc/02/57/48/1206025748.db2.gz IYYYCPCEMQYFFF-CQSZACIVSA-N 0 0 333.432 2.182 10 10 EECERN Cn1cc([C@H](NC(=O)N2Cc3cccc(O)c3C2)C(F)(F)F)cn1 ZINC000931099656 1206606798 /nfs/dbraw/zinc/60/67/98/1206606798.db2.gz DUGRIOXFUTZZDZ-ZDUSSCGKSA-N 0 0 340.305 2.455 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000778916279 1208400605 /nfs/dbraw/zinc/40/06/05/1208400605.db2.gz APTLWRSVBNGQCT-UHFFFAOYSA-N 0 0 344.342 2.272 10 10 EECERN CCOc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC000778926975 1208405208 /nfs/dbraw/zinc/40/52/08/1208405208.db2.gz IHHDPPJLICDPME-UHFFFAOYSA-N 0 0 332.312 2.335 10 10 EECERN COc1ccccc1[C@@H](O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000900434742 1234352212 /nfs/dbraw/zinc/35/22/12/1234352212.db2.gz PYRGHXUUIXTUIQ-QGZVFWFLSA-N 0 0 332.375 2.250 10 10 EECERN COc1cc(NS(=O)(=O)C[C@@H]2CCCC(C)(C)O2)ccc1O ZINC000901664210 1236127801 /nfs/dbraw/zinc/12/78/01/1236127801.db2.gz RDHIGBPHYXFYAD-LBPRGKRZSA-N 0 0 329.418 2.490 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cc(-c2cccc(O)c2)on1 ZINC001137443288 1248445233 /nfs/dbraw/zinc/44/52/33/1248445233.db2.gz KDIURIUITFVDJA-UHFFFAOYSA-N 0 0 326.308 2.388 10 10 EECERN C[C@]12COC[C@H]1CN(C(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC000852138600 1292007992 /nfs/dbraw/zinc/00/79/92/1292007992.db2.gz PKLQLSNPBGJWFO-APWZRJJASA-N 0 0 327.428 2.241 10 10 EECERN COCCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852220287 1292047237 /nfs/dbraw/zinc/04/72/37/1292047237.db2.gz LOXDOCGOKPSFRP-OAHLLOKOSA-N 0 0 347.459 2.390 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CS[C@H](C)C3)C2)cc1 ZINC000852381399 1292102498 /nfs/dbraw/zinc/10/24/98/1292102498.db2.gz RDELJNBWEKUEKU-HZSPNIEDSA-N 0 0 335.473 2.467 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@H](C(C)C)C3)C2)cc1 ZINC000852454687 1292118881 /nfs/dbraw/zinc/11/88/81/1292118881.db2.gz QMYOKQVGPUMOHH-QAPCUYQASA-N 0 0 347.459 2.340 10 10 EECERN Cc1cc(CC(=O)O[C@@H](C)c2nnnn2C)c(C)n1-c1ccccc1 ZINC000853121160 1292290129 /nfs/dbraw/zinc/29/01/29/1292290129.db2.gz ADEACBAXISIZAF-AWEZNQCLSA-N 0 0 339.399 2.465 10 10 EECERN CCOC1(C)CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854298197 1292709246 /nfs/dbraw/zinc/70/92/46/1292709246.db2.gz XZSUOGBMSIFNGW-AWEZNQCLSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](CCO)C3)C2)cc1 ZINC000854299022 1292710570 /nfs/dbraw/zinc/71/05/70/1292710570.db2.gz DWHJLHDTOLATKQ-HZPDHXFCSA-N 0 0 347.459 2.078 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000855020871 1293035619 /nfs/dbraw/zinc/03/56/19/1293035619.db2.gz WTLPAHMQPNKBBA-AWEZNQCLSA-N 0 0 342.443 2.118 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccccc3CO)C2)cc1 ZINC000855224648 1293116694 /nfs/dbraw/zinc/11/66/94/1293116694.db2.gz GTISDZRBXINNCR-QGZVFWFLSA-N 0 0 340.423 2.125 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cn(C(C)C)cn3)C2)cc1 ZINC000855225346 1293117614 /nfs/dbraw/zinc/11/76/14/1293117614.db2.gz MIFGDNJNWXCEMU-AWEZNQCLSA-N 0 0 328.416 2.481 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)c3cnn(C)c3)C2)cc1 ZINC000855226272 1293118884 /nfs/dbraw/zinc/11/88/84/1293118884.db2.gz QWQCBAUZWQDREM-HOCLYGCPSA-N 0 0 342.443 2.317 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C3=C(C)C(C)(C)OC3=O)C2)cc1 ZINC000855231031 1293122191 /nfs/dbraw/zinc/12/21/91/1293122191.db2.gz SITTZQVLQSAHRH-CYBMUJFWSA-N 0 0 344.411 2.042 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000856779989 1293628395 /nfs/dbraw/zinc/62/83/95/1293628395.db2.gz CKWBTZQUMCWDRM-QMDMKJMKSA-N 0 0 334.372 2.236 10 10 EECERN CNc1ncc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000857302368 1293787328 /nfs/dbraw/zinc/78/73/28/1293787328.db2.gz OWADNJJJCUOVOT-NSHDSACASA-N 0 0 332.429 2.202 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000858987728 1294285975 /nfs/dbraw/zinc/28/59/75/1294285975.db2.gz CELAYDCXDWASDK-HNNXBMFYSA-N 0 0 326.462 2.048 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCc2ncncc2C1 ZINC000862025446 1295660573 /nfs/dbraw/zinc/66/05/73/1295660573.db2.gz ULMOVHQPTLVIQX-ZDUSSCGKSA-N 0 0 334.379 2.152 10 10 EECERN COC(=O)c1cc2ccccc2c(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c1O ZINC000863322160 1296220239 /nfs/dbraw/zinc/22/02/39/1296220239.db2.gz OQWDIEHMYGFFFF-BETUJISGSA-N 0 0 342.395 2.028 10 10 EECERN COC(=O)c1cncc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000797635642 1304793748 /nfs/dbraw/zinc/79/37/48/1304793748.db2.gz BESVDWKORGMGAU-SNVBAGLBSA-N 0 0 345.355 2.032 10 10 EECERN Cc1cc(C(=O)NC[C@](C)(O)CO)c(C)n1-c1cc(C)cc(C)c1 ZINC000798264678 1304965685 /nfs/dbraw/zinc/96/56/85/1304965685.db2.gz QPSPPYMUMXWIBJ-IBGZPJMESA-N 0 0 330.428 2.184 10 10 EECERN COC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 ZINC001138152152 1314557484 /nfs/dbraw/zinc/55/74/84/1314557484.db2.gz BIASMCAUOLSNMU-BWNDKRECSA-N 0 0 345.351 2.238 10 10 EECERN C[C@@H](NC(=O)NCCc1ccc(N)cc1)c1nnc2n1CCCCC2 ZINC000841788634 1315613121 /nfs/dbraw/zinc/61/31/21/1315613121.db2.gz HSDBDKBKMGWSLU-CYBMUJFWSA-N 0 0 342.447 2.190 10 10 EECERN COCCN(Cc1scnc1C)C(=O)NCCc1ccc(N)cc1 ZINC000841958608 1315644380 /nfs/dbraw/zinc/64/43/80/1315644380.db2.gz HCKUHFNLXAQSOT-UHFFFAOYSA-N 0 0 348.472 2.434 10 10 EECERN CC(C)(C)CC(=O)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841961287 1315644928 /nfs/dbraw/zinc/64/49/28/1315644928.db2.gz DOMHBDLEIBOMHF-UHFFFAOYSA-N 0 0 346.475 2.101 10 10 EECERN COc1ccc(N2CC[C@H](COC(=O)Cc3cncnc3)C2)cc1 ZINC000842872707 1315788902 /nfs/dbraw/zinc/78/89/02/1315788902.db2.gz CJQQSJCSSJBMKT-AWEZNQCLSA-N 0 0 327.384 2.097 10 10 EECERN COc1ccc(N2CCCN(Cc3cncnc3OC)CC2)cc1 ZINC000843392362 1315905716 /nfs/dbraw/zinc/90/57/16/1315905716.db2.gz DPEREYMNPNKFQC-UHFFFAOYSA-N 0 0 328.416 2.206 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001150377922 1316247987 /nfs/dbraw/zinc/24/79/87/1316247987.db2.gz LVUYOCQFZHCUCW-HDJSIYSDSA-N 0 0 342.399 2.175 10 10 EECERN CCOC(=O)c1c(NC(=O)[C@H](C)CC(N)=O)sc2c1CCCC2 ZINC001154470337 1317148937 /nfs/dbraw/zinc/14/89/37/1317148937.db2.gz GAOFXTSBSZXBHV-SECBINFHSA-N 0 0 338.429 2.254 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc(Cl)ccc1-n1cncn1 ZINC001299574354 1319527400 /nfs/dbraw/zinc/52/74/00/1319527400.db2.gz QBFCCTSDALVEER-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C(F)(F)F)O1 ZINC001160133285 1320079961 /nfs/dbraw/zinc/07/99/61/1320079961.db2.gz XMOBHCUVUWDHDO-LBPRGKRZSA-N 0 0 333.306 2.209 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001162286475 1320806712 /nfs/dbraw/zinc/80/67/12/1320806712.db2.gz VIOLCNHCBWCJAK-MQMHXKEQSA-N 0 0 342.399 2.175 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3NC(=O)C[C@@H]3C)c2C)cc1 ZINC001290610520 1328239134 /nfs/dbraw/zinc/23/91/34/1328239134.db2.gz SLDGXFNWASFSGE-LBPRGKRZSA-N 0 0 327.384 2.368 10 10 EECERN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1cc(O)ccc1O ZINC001303225401 1331350638 /nfs/dbraw/zinc/35/06/38/1331350638.db2.gz HKQRWDFJXUJCGN-UHFFFAOYSA-N 0 0 331.397 2.292 10 10 EECERN Cc1cnn(CCn2c(C)nnc2N(C)Cc2ccccc2O)c1 ZINC001304601799 1331390892 /nfs/dbraw/zinc/39/08/92/1331390892.db2.gz BGFYTOYXJOJYCH-UHFFFAOYSA-N 0 0 326.404 2.134 10 10 EECERN C[C@@H]([NH2+]CCOCCCO)c1cc(Br)c(F)cc1[O-] ZINC001322451943 1333265219 /nfs/dbraw/zinc/26/52/19/1333265219.db2.gz LRJXEBVJXONFBW-SECBINFHSA-N 0 0 336.201 2.343 10 10 EECERN CC(C)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC001323084687 1333382016 /nfs/dbraw/zinc/38/20/16/1333382016.db2.gz YOJYQOSMSQXAMZ-KRWDZBQOSA-N 0 0 341.455 2.184 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC1CCC2(CC2)CC1 ZINC001329409341 1334644004 /nfs/dbraw/zinc/64/40/04/1334644004.db2.gz IEBKHLNJSUKGNX-UHFFFAOYSA-N 0 0 330.428 2.437 10 10 EECERN CSC[C@H](CCO)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001332061825 1335716413 /nfs/dbraw/zinc/71/64/13/1335716413.db2.gz TZDPXHNSDPETFR-VIFPVBQESA-N 0 0 327.427 2.156 10 10 EECERN CC(C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001333825045 1336142434 /nfs/dbraw/zinc/14/24/34/1336142434.db2.gz CVVBKBWANFJWIY-MNOVXSKESA-N 0 0 333.392 2.128 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(C2CCC2)CC1 ZINC001350189267 1337678319 /nfs/dbraw/zinc/67/83/19/1337678319.db2.gz MQVATQZCXUOESQ-UHFFFAOYSA-N 0 0 330.428 2.389 10 10 EECERN O=C(C(=O)N1CC[C@H]2CCCC[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC001351811622 1337852429 /nfs/dbraw/zinc/85/24/29/1337852429.db2.gz YKUYAEQWEIDROP-ZIAGYGMSSA-N 0 0 328.412 2.273 10 10 EECERN COc1cc(Br)cc([C@@H](C)NCc2cn(C)nn2)c1O ZINC000848545443 1338718439 /nfs/dbraw/zinc/71/84/39/1338718439.db2.gz WHSVEZLPPAALFA-MRVPVSSYSA-N 0 0 341.209 2.143 10 10 EECERN COC(=O)c1ccc2c(c1)CN(C(=O)c1c(F)ccc(O)c1O)C2 ZINC001610410612 1352218556 /nfs/dbraw/zinc/21/85/56/1352218556.db2.gz GUAYFNHZUDIJBQ-UHFFFAOYSA-N 0 0 331.299 2.180 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCOc3ncccc3C2)cc1OC ZINC001612231481 1352306431 /nfs/dbraw/zinc/30/64/31/1352306431.db2.gz SPBDKICUWLVHIU-UHFFFAOYSA-N 0 0 331.328 2.406 10 10 EECERN Cn1c(CCNC(=O)Cc2ccc(O)c(O)c2)nc2cc(F)ccc21 ZINC001616709640 1352331103 /nfs/dbraw/zinc/33/11/03/1352331103.db2.gz JVLPVFDBHBCTAG-UHFFFAOYSA-N 0 0 343.358 2.025 10 10 EECERN CCc1nc2c(nccc2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)[nH]1 ZINC001567467890 1342765024 /nfs/dbraw/zinc/76/50/24/1342765024.db2.gz URXZRYPMFDOXEL-SNVBAGLBSA-N 0 0 340.383 2.293 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ncn(C)c3n2)c1 ZINC001595799782 1349895463 /nfs/dbraw/zinc/89/54/63/1349895463.db2.gz IDYGLLGZSYMLIK-SNVBAGLBSA-N 0 0 326.356 2.174 10 10 EECERN O=C(Cc1cscn1)NCc1cccc(Br)c1O ZINC001623365157 1352395512 /nfs/dbraw/zinc/39/55/12/1352395512.db2.gz YHOGOPJYSAWOJT-UHFFFAOYSA-N 0 0 327.203 2.470 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc2c(F)cccn21 ZINC001624955017 1352435864 /nfs/dbraw/zinc/43/58/64/1352435864.db2.gz PFDOBBOYMCQMFS-SNVBAGLBSA-N 0 0 329.331 2.246 10 10 EECERN O=C(N[C@H](CO)c1ccccn1)c1cc2cc(O)c(O)cc2s1 ZINC001624997663 1352437175 /nfs/dbraw/zinc/43/71/75/1352437175.db2.gz AFZCLVZBNKRRSI-LLVKDONJSA-N 0 0 330.365 2.171 10 10 EECERN COc1ccc(N2CCCN(C(=O)CCc3cc(C)n[nH]3)CC2)cc1 ZINC001625249409 1352443961 /nfs/dbraw/zinc/44/39/61/1352443961.db2.gz WCBACVXPTKTVJH-UHFFFAOYSA-N 0 0 342.443 2.398 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2CCCC[C@H]12 ZINC001632268095 1352595246 /nfs/dbraw/zinc/59/52/46/1352595246.db2.gz KODCDKBIXVQWTK-RBSFLKMASA-N 0 0 347.411 2.221 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC001634149321 1352622793 /nfs/dbraw/zinc/62/27/93/1352622793.db2.gz XGMFMRAUYCSSTB-HNNXBMFYSA-N 0 0 346.427 2.080 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cn3nccc3nc2C)c1 ZINC001636061568 1352657462 /nfs/dbraw/zinc/65/74/62/1352657462.db2.gz REEQCSSHFUIWSC-SNVBAGLBSA-N 0 0 326.356 2.243 10 10 EECERN CC(C)(C)C(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1 ZINC001637251188 1352675701 /nfs/dbraw/zinc/67/57/01/1352675701.db2.gz NQCOLQJBYDQXIT-UHFFFAOYSA-N 0 0 348.443 2.136 10 10 EECERN COc1ccc(NC(=O)C2=CC(=O)CS2)cc1S(C)(=O)=O ZINC001638119985 1352685011 /nfs/dbraw/zinc/68/50/11/1352685011.db2.gz BUFCOTYJVOJTDQ-UHFFFAOYSA-N 0 0 327.383 2.118 10 10 EECERN CSc1ncc(C(=O)NCc2ccc3cccnc3c2O)c(=O)[nH]1 ZINC001638573265 1352689681 /nfs/dbraw/zinc/68/96/81/1352689681.db2.gz PLVUKFRAIYGBRT-UHFFFAOYSA-N 0 0 342.380 2.088 10 10 EECERN Oc1cccc2c1CN(c1ncc(I)cn1)C2 ZINC001643087968 1352740627 /nfs/dbraw/zinc/74/06/27/1352740627.db2.gz PGUNNRGEBRXMSW-UHFFFAOYSA-N 0 0 339.136 2.307 10 10 EECERN CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2cccc(O)c2O)cn1 ZINC001651175594 1354042037 /nfs/dbraw/zinc/04/20/37/1354042037.db2.gz FCUIPWDXKBQINN-UHFFFAOYSA-N 0 0 343.383 2.407 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC001652625934 1354097101 /nfs/dbraw/zinc/09/71/01/1354097101.db2.gz OJMXKKCDCAQJAJ-JOCQHMNTSA-N 0 0 342.399 2.175 10 10 EECERN C/C=C(/C)C(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001688153518 1358814737 /nfs/dbraw/zinc/81/47/37/1358814737.db2.gz VRBSSZOPJBAXPU-RHOFJVIFSA-N 0 0 331.376 2.050 10 10 EECERN CC(C)c1nnc2n1CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]2C ZINC000588552741 760758948 /nfs/dbraw/zinc/75/89/48/760758948.db2.gz QVYDVRCNFAPYDP-HWPRWLFBSA-N 0 0 342.399 2.429 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)c1 ZINC000918745479 769365156 /nfs/dbraw/zinc/36/51/56/769365156.db2.gz MGBSVQCEWBWKOQ-TVQRCGJNSA-N 0 0 348.321 2.167 10 10 EECERN COC(=O)c1cnc(SC[C@H](O)CC2(CO)CCCC2)s1 ZINC000905957793 783610595 /nfs/dbraw/zinc/61/05/95/783610595.db2.gz NJKDXZSXXFHSGI-SNVBAGLBSA-N 0 0 331.459 2.326 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2 ZINC000817195906 784575276 /nfs/dbraw/zinc/57/52/76/784575276.db2.gz OBSXATAPLFOKIJ-UHFFFAOYSA-N 0 0 344.342 2.123 10 10 EECERN CNC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000817414913 784768173 /nfs/dbraw/zinc/76/81/73/784768173.db2.gz LUYCUNNZBCZEPU-SNVBAGLBSA-N 0 0 327.222 2.031 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC2(C1)CN(C)C(=O)O2 ZINC000817654994 784900836 /nfs/dbraw/zinc/90/08/36/784900836.db2.gz PSDMQIKVSKXKFL-UHFFFAOYSA-N 0 0 345.424 2.432 10 10 EECERN CCOC1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000819973996 785726933 /nfs/dbraw/zinc/72/69/33/785726933.db2.gz GYCGRBUAEPFLNK-UHFFFAOYSA-N 0 0 332.444 2.441 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccn2nccc2n1 ZINC000910557825 786898084 /nfs/dbraw/zinc/89/80/84/786898084.db2.gz LDIPFDYRGVLUMU-AWEZNQCLSA-N 0 0 337.427 2.465 10 10 EECERN CCc1nn(C)cc1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822341178 787159566 /nfs/dbraw/zinc/15/95/66/787159566.db2.gz CTOKCQPWUOVEHZ-ZDUSSCGKSA-N 0 0 343.431 2.392 10 10 EECERN CCC/C=C\[C@@H](O)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000911304584 787367196 /nfs/dbraw/zinc/36/71/96/787367196.db2.gz VCJVUORBMDWVSW-BDJZEXMMSA-N 0 0 335.400 2.001 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(O)cccc3OC)C2)cc1 ZINC000912292995 788090032 /nfs/dbraw/zinc/09/00/32/788090032.db2.gz RNRRMXUSDNIJQP-CYBMUJFWSA-N 0 0 342.395 2.418 10 10 EECERN COc1ccc(N(C)CCN(C)S(=O)(=O)c2ccccc2N)cc1 ZINC000845987371 790013388 /nfs/dbraw/zinc/01/33/88/790013388.db2.gz HHASOWYLBRENAR-UHFFFAOYSA-N 0 0 349.456 2.034 10 10 EECERN C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000846193512 790086232 /nfs/dbraw/zinc/08/62/32/790086232.db2.gz MSFKFZAAJXNGCK-LKFCYVNXSA-N 0 0 348.212 2.486 10 10 EECERN NC(=O)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000172549208 791712112 /nfs/dbraw/zinc/71/21/12/791712112.db2.gz BOXSHLOHIWGSMD-JKSUJKDBSA-N 0 0 344.459 2.130 10 10 EECERN C[C@@H]1CN(c2ccccc2)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC000952994090 796140204 /nfs/dbraw/zinc/14/02/04/796140204.db2.gz UVTWHBCDRLUFRA-CQSZACIVSA-N 0 0 326.396 2.378 10 10 EECERN C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1O ZINC001171730040 796707158 /nfs/dbraw/zinc/70/71/58/796707158.db2.gz IWBPSJSYKWYULY-LBPRGKRZSA-N 0 0 333.409 2.428 10 10 EECERN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(N(C)C)cc1 ZINC000785715321 806572898 /nfs/dbraw/zinc/57/28/98/806572898.db2.gz HUPQGTCFJSNNIQ-CYBMUJFWSA-N 0 0 345.468 2.351 10 10 EECERN COCCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC000786966042 806949663 /nfs/dbraw/zinc/94/96/63/806949663.db2.gz KILOYAOENQNDDS-GOSISDBHSA-N 0 0 347.459 2.234 10 10 EECERN C[C@@H]1C[C@@H](C)N1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000792045928 809575319 /nfs/dbraw/zinc/57/53/19/809575319.db2.gz VYUAAVZAJTXLEQ-FMKPAKJESA-N 0 0 344.459 2.081 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2c(C)nn(C)c2C)c1 ZINC000103509335 809835629 /nfs/dbraw/zinc/83/56/29/809835629.db2.gz ATOHEWWIVKEONR-LLVKDONJSA-N 0 0 346.431 2.354 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nc3ncccn3n2)cc1 ZINC001129813034 811001052 /nfs/dbraw/zinc/00/10/52/811001052.db2.gz PIFFEQCXYYYNLQ-UHFFFAOYSA-N 0 0 346.394 2.462 10 10 EECERN COC[C@@H](NC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000805225054 811200462 /nfs/dbraw/zinc/20/04/62/811200462.db2.gz IQRQGNZNYQXTJK-GFCCVEGCSA-N 0 0 343.221 2.379 10 10 EECERN C[C@@H]1COCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805364366 811257756 /nfs/dbraw/zinc/25/77/56/811257756.db2.gz MBVWDKFGCNMJTC-SKDRFNHKSA-N 0 0 343.221 2.379 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1 ZINC000806178620 811791016 /nfs/dbraw/zinc/79/10/16/811791016.db2.gz IKKAEWRGHOFLSL-IUODEOHRSA-N 0 0 330.384 2.001 10 10 EECERN [O-]c1c(Br)cccc1C[NH2+]C[C@H](CO)c1cccnc1 ZINC000808430741 812651631 /nfs/dbraw/zinc/65/16/31/812651631.db2.gz JOIKPOGXTCNRLY-CYBMUJFWSA-N 0 0 337.217 2.415 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000808519688 812690281 /nfs/dbraw/zinc/69/02/81/812690281.db2.gz CTHNIKCGFMWFAQ-UHFFFAOYSA-N 0 0 340.257 2.206 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000808522591 812691133 /nfs/dbraw/zinc/69/11/33/812691133.db2.gz XBGMDXNWNAIXBR-UHFFFAOYSA-N 0 0 347.245 2.112 10 10 EECERN CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(=O)C(C)=O ZINC000808500233 812696040 /nfs/dbraw/zinc/69/60/40/812696040.db2.gz VYFNGCVEZBQEJX-UHFFFAOYSA-N 0 0 334.353 2.082 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000808530078 812696153 /nfs/dbraw/zinc/69/61/53/812696153.db2.gz LVVLLCAQNPUWND-UHFFFAOYSA-N 0 0 332.743 2.420 10 10 EECERN COc1ccc(N2CCN(C(=O)CC(C)(C)COC(C)=O)CC2)cc1 ZINC001566326301 1125595413 /nfs/dbraw/zinc/59/54/13/1125595413.db2.gz FYUHSQWYLUTPHO-UHFFFAOYSA-N 0 0 348.443 2.323 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nc(C(N)=O)co2)cc1 ZINC001453212468 1106031927 /nfs/dbraw/zinc/03/19/27/1106031927.db2.gz UBYWSIPMOHVPOA-UHFFFAOYSA-N 0 0 338.367 2.111 10 10 EECERN C[C@H](NC(=O)c1cccc(N2CCNC2=O)c1)c1ccccc1O ZINC001454822178 1107720150 /nfs/dbraw/zinc/72/01/50/1107720150.db2.gz XWLBHYCBLSYBTB-LBPRGKRZSA-N 0 0 325.368 2.413 10 10 EECERN O=C(CSc1ccc2c(c1)OCCO2)NCc1cc(O)ccc1O ZINC001455356124 1108474450 /nfs/dbraw/zinc/47/44/50/1108474450.db2.gz HGGGVUUIGUBOPD-UHFFFAOYSA-N 0 0 347.392 2.278 10 10 EECERN CCCC[C@H](O)CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001464451125 1110394688 /nfs/dbraw/zinc/39/46/88/1110394688.db2.gz LGUIOHPERNKMKN-SFHVURJKSA-N 0 0 334.460 2.471 10 10 EECERN COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1cc(C)cc(C)c1 ZINC001467361989 1110454622 /nfs/dbraw/zinc/45/46/22/1110454622.db2.gz JWYXWZNNFZSKQM-HNNXBMFYSA-N 0 0 329.352 2.359 10 10 EECERN C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1O ZINC001471194805 1110518895 /nfs/dbraw/zinc/51/88/95/1110518895.db2.gz XSQDGHXSZXGBMI-GFCCVEGCSA-N 0 0 333.409 2.428 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccc(Cn2ccccc2=O)o1 ZINC001471974626 1110536993 /nfs/dbraw/zinc/53/69/93/1110536993.db2.gz IFOJMAQHAXNYED-UHFFFAOYSA-N 0 0 342.326 2.264 10 10 EECERN Cn1nc(C2CC2)cc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001472041303 1110539727 /nfs/dbraw/zinc/53/97/27/1110539727.db2.gz YNOAZIXUTNBAFL-UHFFFAOYSA-N 0 0 326.360 2.390 10 10 EECERN CCc1nnc(N(C)CCOC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001546430887 1120913616 /nfs/dbraw/zinc/91/36/16/1120913616.db2.gz JZAKVIMGWVCZMM-UHFFFAOYSA-N 0 0 335.427 2.177 10 10 EECERN COc1ncc(/C=C\C(=O)N2CCOc3cc(F)c(F)cc32)cn1 ZINC001530517097 1121987683 /nfs/dbraw/zinc/98/76/83/1121987683.db2.gz OWFYXXJVZUNJLS-IHWYPQMZSA-N 0 0 333.294 2.202 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001540764287 1124093151 /nfs/dbraw/zinc/09/31/51/1124093151.db2.gz MHGWRRGFZQFHJF-KRWDZBQOSA-N 0 0 331.343 2.380 10 10 EECERN CCOC(=O)C1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001543764080 1124134790 /nfs/dbraw/zinc/13/47/90/1124134790.db2.gz JHCLOPBIBGWVFH-UHFFFAOYSA-N 0 0 332.360 2.455 10 10 EECERN COC(=O)c1cc(F)cc(C(=O)NCc2ccc(OC)cc2O)c1 ZINC001568098127 1124301440 /nfs/dbraw/zinc/30/14/40/1124301440.db2.gz VFNAIEFENUPKEI-UHFFFAOYSA-N 0 0 333.315 2.257 10 10 EECERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000083749817 237001087 /nfs/dbraw/zinc/00/10/87/237001087.db2.gz XRNMETVGIHUPOA-MRXNPFEDSA-N 0 0 342.447 2.329 10 10 EECERN CCN(CC)c1ccc(CN2CCS(=O)(=O)[C@@H](C)C2)cc1F ZINC000127889798 462592122 /nfs/dbraw/zinc/59/21/22/462592122.db2.gz GAVBEZYLSRQZGU-ZDUSSCGKSA-N 0 0 328.453 2.291 10 10 EECERN C[C@H](N[C@H]1CCCn2ncnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000164804974 463633340 /nfs/dbraw/zinc/63/33/40/463633340.db2.gz DTXQYWFVIHRPRC-BBRMVZONSA-N 0 0 345.422 2.440 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCOC3)CC2)cc1 ZINC000171610955 463892095 /nfs/dbraw/zinc/89/20/95/463892095.db2.gz UVOMPJKRFNUKST-OAHLLOKOSA-N 0 0 333.432 2.096 10 10 EECERN Cn1cc(CNC(=O)NCc2ccccc2O)c(C(F)(F)F)n1 ZINC000269614978 464034788 /nfs/dbraw/zinc/03/47/88/464034788.db2.gz NVHVUKZWJZXWGN-UHFFFAOYSA-N 0 0 328.294 2.144 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000270606423 464262554 /nfs/dbraw/zinc/26/25/54/464262554.db2.gz HNCCPWSEMGNVDM-GFCCVEGCSA-N 0 0 332.429 2.038 10 10 EECERN Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)nnn1C(C)C ZINC000293488987 464407891 /nfs/dbraw/zinc/40/78/91/464407891.db2.gz UQFWUWXINKZOBQ-UHFFFAOYSA-N 0 0 329.404 2.273 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000366810003 465946594 /nfs/dbraw/zinc/94/65/94/465946594.db2.gz XFESGGYAOKIPMU-CQSZACIVSA-N 0 0 343.431 2.401 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000301749199 466023546 /nfs/dbraw/zinc/02/35/46/466023546.db2.gz ADHPHSOKYCLMGE-JDQXGDOCSA-N 0 0 334.372 2.378 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CC4(C3)CCCOC4)ccc21 ZINC000367882136 466551461 /nfs/dbraw/zinc/55/14/61/466551461.db2.gz APISXECMRHUEAH-UHFFFAOYSA-N 0 0 329.444 2.391 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCc2[nH]cnc2C1 ZINC000368183230 466586665 /nfs/dbraw/zinc/58/66/65/466586665.db2.gz GQLXRJPDFPCHGX-HNNXBMFYSA-N 0 0 339.443 2.367 10 10 EECERN C[C@H]1CC2(CCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000372884415 466628973 /nfs/dbraw/zinc/62/89/73/466628973.db2.gz GEAAYRMHAIMQCJ-NSHDSACASA-N 0 0 338.429 2.168 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC(OCC4CC4)CC3)cc2N1 ZINC000368554864 466668014 /nfs/dbraw/zinc/66/80/14/466668014.db2.gz NJVGKSUHJWDHPR-UHFFFAOYSA-N 0 0 347.371 2.321 10 10 EECERN CCOC1CC2(C1)CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 ZINC000376186290 466897808 /nfs/dbraw/zinc/89/78/08/466897808.db2.gz ZIOILLFXNCUGMW-UHFFFAOYSA-N 0 0 347.371 2.321 10 10 EECERN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(C)c2)C1 ZINC000370913610 467042211 /nfs/dbraw/zinc/04/22/11/467042211.db2.gz LRDGTFVUEIWBBV-DVBCCOPCSA-N 0 0 335.407 2.497 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(C2CC2)CC1 ZINC000155714188 490678721 /nfs/dbraw/zinc/67/87/21/490678721.db2.gz SVJPWYGEBDLUIB-UHFFFAOYSA-N 0 0 326.444 2.052 10 10 EECERN C[C@@H](NC(=O)N[C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000730065920 576711808 /nfs/dbraw/zinc/71/18/08/576711808.db2.gz BROZUUOJNXLYSY-ZBFHGGJFSA-N 0 0 333.432 2.062 10 10 EECERN O=C(NCc1ccccc1O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000772462765 577273948 /nfs/dbraw/zinc/27/39/48/577273948.db2.gz IQFSSOTWQJXWPQ-AWEZNQCLSA-N 0 0 325.368 2.317 10 10 EECERN Cn1cc([C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(F)(F)F)cn1 ZINC000773851228 577368755 /nfs/dbraw/zinc/36/87/55/577368755.db2.gz VVUYGJAQCLZCSC-LYKUJDHUSA-N 0 0 341.289 2.264 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3ccnnc3C)CC2)cc1F ZINC000776495541 577460907 /nfs/dbraw/zinc/46/09/07/577460907.db2.gz VRPYXCVJLWISOD-UHFFFAOYSA-N 0 0 345.378 2.287 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1cn2cccnc2n1 ZINC000765735025 577506257 /nfs/dbraw/zinc/50/62/57/577506257.db2.gz CEDCPDJNBPYYHY-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)c(C)c1 ZINC000758169354 577617401 /nfs/dbraw/zinc/61/74/01/577617401.db2.gz PYRNHWFAOJZZHE-UHFFFAOYSA-N 0 0 339.344 2.427 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)c2cncn2CC)cc1 ZINC000751242395 577749725 /nfs/dbraw/zinc/74/97/25/577749725.db2.gz NFQNMNXPSOZHFI-UHFFFAOYSA-N 0 0 336.461 2.228 10 10 EECERN COc1cc(C)cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c1O ZINC000754738494 577811775 /nfs/dbraw/zinc/81/17/75/577811775.db2.gz DIQQCWBJCHLLCL-ZBFHGGJFSA-N 0 0 339.457 2.251 10 10 EECERN C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756779377 577850106 /nfs/dbraw/zinc/85/01/06/577850106.db2.gz JUNRKVGKBTXVHW-NSHDSACASA-N 0 0 342.417 2.166 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)Cn2cncn2)cc1 ZINC000749212651 577972898 /nfs/dbraw/zinc/97/28/98/577972898.db2.gz LAQYEXZTWBRNIC-HNNXBMFYSA-N 0 0 344.463 2.354 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCC[S@@](=O)CC)cc1F ZINC000735099070 578134296 /nfs/dbraw/zinc/13/42/96/578134296.db2.gz DEYJBBRIDCCCGF-QHCPKHFHSA-N 0 0 343.468 2.240 10 10 EECERN Cc1c[nH]cc(C(=O)NCc2cc(Br)ccc2O)c1=O ZINC000804735183 675609387 /nfs/dbraw/zinc/60/93/87/675609387.db2.gz OJNBCRNUGBLNNE-UHFFFAOYSA-N 0 0 337.173 2.081 10 10 EECERN CC[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894593662 682989426 /nfs/dbraw/zinc/98/94/26/682989426.db2.gz VWPYZNJJDRPVIV-RHSMWYFYSA-N 0 0 329.444 2.051 10 10 EECERN C[C@H](NC(=O)N1CCC(=O)[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000914400491 683559933 /nfs/dbraw/zinc/55/99/33/683559933.db2.gz MMSMYOSHILDLRI-CABCVRRESA-N 0 0 345.443 2.205 10 10 EECERN CCOC(=O)C1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000914410133 683574113 /nfs/dbraw/zinc/57/41/13/683574113.db2.gz DPZSUVNYGBVVLT-UHFFFAOYSA-N 0 0 338.379 2.452 10 10 EECERN O=C1N(CC[NH2+]Cc2cc(F)cc(F)c2[O-])C[C@@H]2CCCCN12 ZINC000895345763 684521989 /nfs/dbraw/zinc/52/19/89/684521989.db2.gz SHRLFPYYRQOZNV-ZDUSSCGKSA-N 0 0 325.359 2.050 10 10 EECERN CC1(C)CC(=O)NCCN1Cc1ccc(Br)cc1O ZINC000895400560 684588727 /nfs/dbraw/zinc/58/87/27/684588727.db2.gz RSOWASJIZNHWHK-UHFFFAOYSA-N 0 0 327.222 2.255 10 10 EECERN CCOc1ccc(CN[C@@H](CC2CCOCC2)C(=O)OC)c(O)c1 ZINC000895593131 684659042 /nfs/dbraw/zinc/65/90/42/684659042.db2.gz YQNHYKMOFWWGBQ-INIZCTEOSA-N 0 0 337.416 2.239 10 10 EECERN COc1cnc(F)c(CNCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000895606330 684665979 /nfs/dbraw/zinc/66/59/79/684665979.db2.gz CNDUIKRQTSAXSL-UHFFFAOYSA-N 0 0 344.434 2.271 10 10 EECERN O=C(NCCOC[C@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 ZINC000896284681 684927926 /nfs/dbraw/zinc/92/79/26/684927926.db2.gz XFOPJCACPLQHBR-JTQLQIEISA-N 0 0 337.397 2.095 10 10 EECERN COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000313629670 687753627 /nfs/dbraw/zinc/75/36/27/687753627.db2.gz GVJKKZDBTAJHDU-CQSZACIVSA-N 0 0 344.205 2.078 10 10 EECERN CN(C)c1ccc(/C=C\C[NH2+][C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000904006628 694266705 /nfs/dbraw/zinc/26/67/05/694266705.db2.gz YPJWRPRBYKIGTR-HPFMTEOYSA-N 0 0 331.460 2.295 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897936395 691828655 /nfs/dbraw/zinc/82/86/55/691828655.db2.gz WPCMKYHOEJMPRE-WKULXVSPSA-N 0 0 329.444 2.460 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](O)C(F)(F)C1 ZINC000898670808 693415610 /nfs/dbraw/zinc/41/56/10/693415610.db2.gz NEYZBPZFWUTFMT-LBPRGKRZSA-N 0 0 329.324 2.155 10 10 EECERN CCOC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000899137685 693629815 /nfs/dbraw/zinc/62/98/15/693629815.db2.gz NEAJOPJVEOOEGO-NSHDSACASA-N 0 0 337.397 2.190 10 10 EECERN Cc1cc(CCNC(=O)[C@H]2CCC(=O)O2)c(C)n1-c1ccccc1 ZINC000864643828 1197862206 /nfs/dbraw/zinc/86/22/06/1197862206.db2.gz ALVQMMHJEFZTBZ-QGZVFWFLSA-N 0 0 326.396 2.458 10 10 EECERN Cn1ncc2c1ncnc2NCc1cc(Br)ccc1O ZINC000794783244 1197965501 /nfs/dbraw/zinc/96/55/01/1197965501.db2.gz DAFITYZSJDNCSC-UHFFFAOYSA-N 0 0 334.177 2.444 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000864984201 1198033737 /nfs/dbraw/zinc/03/37/37/1198033737.db2.gz JNKVISZYOFKDOV-HNNXBMFYSA-N 0 0 325.412 2.338 10 10 EECERN CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)C(=O)OC(C)(C)C ZINC000865904545 1198419808 /nfs/dbraw/zinc/41/98/08/1198419808.db2.gz OORUJCMXRPYHMV-HNNXBMFYSA-N 0 0 336.432 2.034 10 10 EECERN C=CC(=O)NCCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000124299304 1198432319 /nfs/dbraw/zinc/43/23/19/1198432319.db2.gz JXLXQHDRYJYVPI-UHFFFAOYSA-N 0 0 328.368 2.206 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)O[C@H]3C)CC2)c(OC)c1 ZINC000870166692 1200531490 /nfs/dbraw/zinc/53/14/90/1200531490.db2.gz TUMGFLMSROEMSE-OFQRWUPVSA-N 0 0 348.443 2.166 10 10 EECERN COc1cccc(CNC(=O)c2cccn(C(C)(C)C)c2=O)c1O ZINC000866762733 1201600248 /nfs/dbraw/zinc/60/02/48/1201600248.db2.gz AFLLQJIGFPAKFV-UHFFFAOYSA-N 0 0 330.384 2.248 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)c1 ZINC000866765112 1201600774 /nfs/dbraw/zinc/60/07/74/1201600774.db2.gz RTCOFKRXSGIAKU-YPMHNXCESA-N 0 0 345.399 2.050 10 10 EECERN COc1ccc(N2CCN(C(=O)N3CC[C@H](C)C3)CC2)c(OC)c1 ZINC000867732128 1201668428 /nfs/dbraw/zinc/66/84/28/1201668428.db2.gz YQSACGFIVWQBBF-AWEZNQCLSA-N 0 0 333.432 2.288 10 10 EECERN O=C(CCC1(O)CCC1)NCc1cc(Br)ccc1O ZINC000868307186 1201788162 /nfs/dbraw/zinc/78/81/62/1201788162.db2.gz RGXURHALWWIIGN-UHFFFAOYSA-N 0 0 328.206 2.466 10 10 EECERN O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1[O-] ZINC000133751810 1202235131 /nfs/dbraw/zinc/23/51/31/1202235131.db2.gz UQYWIWJVLIGNGE-UHFFFAOYSA-N 0 0 330.268 2.379 10 10 EECERN CC(C)=CC[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000924483419 1205982856 /nfs/dbraw/zinc/98/28/56/1205982856.db2.gz WHIITKZWXXJKFI-QGZVFWFLSA-N 0 0 343.427 2.300 10 10 EECERN Cn1ccc([C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)n1 ZINC000928192170 1206357826 /nfs/dbraw/zinc/35/78/26/1206357826.db2.gz IKTMGZWEBJDGKN-HZRUHFOJSA-N 0 0 327.384 2.251 10 10 EECERN C[C@@H](NC(=O)CCc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC000928707130 1206413848 /nfs/dbraw/zinc/41/38/48/1206413848.db2.gz ARXKRMILASAGNM-CYBMUJFWSA-N 0 0 344.386 2.285 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NCC[C@@H]2C[C@H]2C2CC2)cc1F ZINC000929801694 1206503412 /nfs/dbraw/zinc/50/34/12/1206503412.db2.gz XGGVROFFGSKDOB-CABCVRRESA-N 0 0 347.434 2.060 10 10 EECERN CN(CC(=O)NC(C)(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000046984250 1208394507 /nfs/dbraw/zinc/39/45/07/1208394507.db2.gz BILCCSLIIHEUFM-UHFFFAOYSA-N 0 0 346.475 2.343 10 10 EECERN CCN1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1=O ZINC000189869541 1209338942 /nfs/dbraw/zinc/33/89/42/1209338942.db2.gz NKNXNZIDFMYRFD-UHFFFAOYSA-N 0 0 344.459 2.254 10 10 EECERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nnc2n1CCCCC2 ZINC000779493364 1210393281 /nfs/dbraw/zinc/39/32/81/1210393281.db2.gz QFXMENFTYVNTBK-ZVTBTPLYSA-N 0 0 342.399 2.306 10 10 EECERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Cc1ccccc1 ZINC000779533379 1210422069 /nfs/dbraw/zinc/42/20/69/1210422069.db2.gz FPKSYMWWEHDQHO-CHOZFAJLSA-N 0 0 325.364 2.428 10 10 EECERN FC(F)c1nnc2n1CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000827897950 1248963054 /nfs/dbraw/zinc/96/30/54/1248963054.db2.gz CUFKUVVYMBSRHX-UHFFFAOYSA-N 0 0 349.385 2.068 10 10 EECERN COc1cc(NS(=O)(=O)C[C@H]2CCCC(C)(C)O2)ccc1O ZINC000901664209 1236127338 /nfs/dbraw/zinc/12/73/38/1236127338.db2.gz RDHIGBPHYXFYAD-GFCCVEGCSA-N 0 0 329.418 2.490 10 10 EECERN CCC1(CC)CN(C(=O)c2c(F)ccc(O)c2O)CC[S@]1=O ZINC000828692426 1250258280 /nfs/dbraw/zinc/25/82/80/1250258280.db2.gz IDWGYOYNQDYUHP-JOCHJYFZSA-N 0 0 329.393 2.000 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nn(C)cc1C ZINC000850448748 1277227451 /nfs/dbraw/zinc/22/74/51/1277227451.db2.gz PAMJHMGYFGDSTL-UHFFFAOYSA-N 0 0 344.415 2.202 10 10 EECERN CO[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000852261775 1292069804 /nfs/dbraw/zinc/06/98/04/1292069804.db2.gz VIIVTIHSEUJUAK-FRFSOERESA-N 0 0 335.448 2.164 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NOCCC(F)(F)F)C2)cc1 ZINC000852266532 1292071831 /nfs/dbraw/zinc/07/18/31/1292071831.db2.gz FRKQQASTTAECLL-NSHDSACASA-N 0 0 347.337 2.457 10 10 EECERN CCO[C@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852377278 1292101694 /nfs/dbraw/zinc/10/16/94/1292101694.db2.gz CAQTWELPYQOZIZ-CPUCHLNUSA-N 0 0 333.432 2.141 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]4COC[C@@H]43)C2)cc1 ZINC000852449021 1292116974 /nfs/dbraw/zinc/11/69/74/1292116974.db2.gz POTLDRHJALWZED-RKVPGOIHSA-N 0 0 345.443 2.094 10 10 EECERN CCNC(=O)[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854267427 1292697038 /nfs/dbraw/zinc/69/70/38/1292697038.db2.gz AIHADUWAHMVMLW-AWEZNQCLSA-N 0 0 327.428 2.277 10 10 EECERN CN(C)c1ccc(CNC(=O)c2c(C(F)(F)F)cnn2C)cc1 ZINC000854271748 1292699262 /nfs/dbraw/zinc/69/92/62/1292699262.db2.gz PRTQXFBXNWZURG-UHFFFAOYSA-N 0 0 326.322 2.435 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC4(C3)CCOCC4)C2)cc1 ZINC000854296601 1292707328 /nfs/dbraw/zinc/70/73/28/1292707328.db2.gz FCGHMCKPLQVGBG-HNNXBMFYSA-N 0 0 345.443 2.096 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@H](OC)C3)C2)cc1 ZINC000854981233 1293019324 /nfs/dbraw/zinc/01/93/24/1293019324.db2.gz MEUVTTVZTKGQJJ-RKVPGOIHSA-N 0 0 332.444 2.453 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)nc3OC)C2)cc1 ZINC000855224976 1293117762 /nfs/dbraw/zinc/11/77/62/1293117762.db2.gz HBUIWKBVMFNRDV-CQSZACIVSA-N 0 0 341.411 2.416 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccncc3C)C2)cc1 ZINC000855228057 1293119943 /nfs/dbraw/zinc/11/99/43/1293119943.db2.gz UQTDCTDPSNRBMY-INIZCTEOSA-N 0 0 325.412 2.336 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cccc4nccn43)C2)cc1 ZINC000855234082 1293122992 /nfs/dbraw/zinc/12/29/92/1293122992.db2.gz RYJQTOQGVTXHPG-AWEZNQCLSA-N 0 0 336.395 2.352 10 10 EECERN CC1(C)OC[C@H]2C[C@]21C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209480 1293445203 /nfs/dbraw/zinc/44/52/03/1293445203.db2.gz PHKLQGXJSAAHIX-FOIQADDNSA-N 0 0 344.455 2.079 10 10 EECERN CC(C)(C(=O)NCc1cccc(Br)c1O)c1c[nH]cn1 ZINC000857195530 1293754663 /nfs/dbraw/zinc/75/46/63/1293754663.db2.gz XATYILKVIJJZDE-UHFFFAOYSA-N 0 0 338.205 2.472 10 10 EECERN COC(=O)C1=CC[C@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000858739699 1294208113 /nfs/dbraw/zinc/20/81/13/1294208113.db2.gz OQWKYIUKULITIA-PWSUYJOCSA-N 0 0 334.372 2.023 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@@H](C)CO)cc1 ZINC000860388877 1294950253 /nfs/dbraw/zinc/95/02/53/1294950253.db2.gz CBPOOEWZCNIBRN-AWEZNQCLSA-N 0 0 328.412 2.288 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CN(C)C(=O)[C@@H]2C)c1 ZINC000862117223 1295705417 /nfs/dbraw/zinc/70/54/17/1295705417.db2.gz VLVAJBBZLPFXJY-AWEZNQCLSA-N 0 0 339.395 2.167 10 10 EECERN CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862420299 1295842224 /nfs/dbraw/zinc/84/22/24/1295842224.db2.gz ZARMODQZNWCPNR-ZDUSSCGKSA-N 0 0 340.418 2.219 10 10 EECERN C/C=C/C[C@H]1CCC[N@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000863477280 1296300177 /nfs/dbraw/zinc/30/01/77/1296300177.db2.gz YTUGRHKQTMRNQS-JDGPPOGSSA-N 0 0 330.388 2.311 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CNC(=O)C1 ZINC000926995152 1296983218 /nfs/dbraw/zinc/98/32/18/1296983218.db2.gz XXIPBPHUKWKWIB-AWEZNQCLSA-N 0 0 333.432 2.230 10 10 EECERN COc1ccn2c(c1)ncc2C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001138153063 1314558077 /nfs/dbraw/zinc/55/80/77/1314558077.db2.gz XFZKXYDDVJCTGC-LLVKDONJSA-N 0 0 341.367 2.115 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCC[C@@](C)(O)COC ZINC000838635903 1315181717 /nfs/dbraw/zinc/18/17/17/1315181717.db2.gz GDKDKCKIEGTDDW-GOSISDBHSA-N 0 0 338.448 2.491 10 10 EECERN COC(=O)[C@@H]1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000839691985 1315234434 /nfs/dbraw/zinc/23/44/34/1315234434.db2.gz MBEWQSMSCBEMHH-UONOGXRCSA-N 0 0 331.412 2.477 10 10 EECERN CCN(CC)c1ccc(CN[C@@H](C(=O)OC)c2ccnn2C)cc1 ZINC000843429901 1315913523 /nfs/dbraw/zinc/91/35/23/1315913523.db2.gz LIVURAZLEKUJPY-QGZVFWFLSA-N 0 0 330.432 2.270 10 10 EECERN CCN(CC)c1ccc(CN[C@H](C(=O)OC)c2ccnn2C)cc1 ZINC000843429900 1315913664 /nfs/dbraw/zinc/91/36/64/1315913664.db2.gz LIVURAZLEKUJPY-KRWDZBQOSA-N 0 0 330.432 2.270 10 10 EECERN CC(C)Cn1ncc2cc(C(=O)NCc3cc(O)ccc3O)cnc21 ZINC001153879643 1316907085 /nfs/dbraw/zinc/90/70/85/1316907085.db2.gz SPFGSZFZTOQPHZ-UHFFFAOYSA-N 0 0 340.383 2.429 10 10 EECERN COc1ccc(CNC(=O)NCc2nnc(C3CC3)s2)c(O)c1 ZINC001251895925 1317514715 /nfs/dbraw/zinc/51/47/15/1317514715.db2.gz VMCUNYQNWVFIJA-UHFFFAOYSA-N 0 0 334.401 2.129 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1F ZINC001292064857 1328359031 /nfs/dbraw/zinc/35/90/31/1328359031.db2.gz AYOYGRMWMSACMN-UHFFFAOYSA-N 0 0 330.359 2.298 10 10 EECERN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001295396893 1329808299 /nfs/dbraw/zinc/80/82/99/1329808299.db2.gz DZDYGRROVLMJOK-ZBEGNZNMSA-N 0 0 333.359 2.408 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC001321365442 1333086551 /nfs/dbraw/zinc/08/65/51/1333086551.db2.gz XAIJNRRQHARVSE-ROUUACIJSA-N 0 0 337.423 2.041 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001325973901 1334009189 /nfs/dbraw/zinc/00/91/89/1334009189.db2.gz NVIHIUQCYVQDCD-MXASKKJJSA-N 0 0 343.471 2.023 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC001331374413 1335004825 /nfs/dbraw/zinc/00/48/25/1335004825.db2.gz LALAJPAELLOBDP-LLVKDONJSA-N 0 0 345.226 2.051 10 10 EECERN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001337358591 1336689708 /nfs/dbraw/zinc/68/97/08/1336689708.db2.gz PMLDXJBQBQFKKG-JTNHKYCSSA-N 0 0 345.403 2.082 10 10 EECERN CN1CCCc2cc(CNC(=O)C(=O)N3CCCC34CCC4)ccc21 ZINC001340392847 1337175397 /nfs/dbraw/zinc/17/53/97/1337175397.db2.gz SHWUMBPDGAWYGH-UHFFFAOYSA-N 0 0 341.455 2.230 10 10 EECERN CC[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 ZINC001344065995 1337363736 /nfs/dbraw/zinc/36/37/36/1337363736.db2.gz POEIFLYKIVTNKK-HIFRSBDPSA-N 0 0 346.431 2.100 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001351289159 1337804586 /nfs/dbraw/zinc/80/45/86/1337804586.db2.gz QQIWYGMIAWBIBE-HDMKZQKVSA-N 0 0 343.471 2.230 10 10 EECERN O=C(C(=O)N1Cc2cccc(O)c2C1)N1CC[C@H](C2CCCC2)C1 ZINC001351922047 1337867292 /nfs/dbraw/zinc/86/72/92/1337867292.db2.gz XHBLCNVMGLWEDZ-AWEZNQCLSA-N 0 0 328.412 2.273 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N2CCC(F)(C3CC3)CC2)cc1 ZINC001354384274 1338493918 /nfs/dbraw/zinc/49/39/18/1338493918.db2.gz QZGOZJNVGBAAOW-UHFFFAOYSA-N 0 0 347.434 2.110 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N(C)C)c(C=O)c1 ZINC001611430356 1352300410 /nfs/dbraw/zinc/30/04/10/1352300410.db2.gz CGGWVMRDBMEOKH-LBPRGKRZSA-N 0 0 342.395 2.337 10 10 EECERN CC(C)(C)OC(=O)NC1(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC001611670877 1352303668 /nfs/dbraw/zinc/30/36/68/1352303668.db2.gz ARCIIIBKRZVAHI-UHFFFAOYSA-N 0 0 340.351 2.024 10 10 EECERN O=C(Cc1ccc2c(c1)OC(F)(F)O2)NCc1cccc(O)c1O ZINC001558162324 1342467276 /nfs/dbraw/zinc/46/72/76/1342467276.db2.gz ZCKDIDXYFPZGEQ-UHFFFAOYSA-N 0 0 337.278 2.278 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](c3ncon3)C2)cc1 ZINC001558450977 1342477614 /nfs/dbraw/zinc/47/76/14/1342477614.db2.gz WWRDJCBPVUJWTF-LLVKDONJSA-N 0 0 328.332 2.252 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001678219461 1357485476 /nfs/dbraw/zinc/48/54/76/1357485476.db2.gz USOMSBKBNWDDKW-MJVIPROJSA-N 0 0 345.403 2.082 10 10 EECERN COc1ccc2[nH]cc(CC(=O)NCc3c(O)cccc3O)c2c1 ZINC001597569750 1349928230 /nfs/dbraw/zinc/92/82/30/1349928230.db2.gz RVAKMPAJBPFVRU-UHFFFAOYSA-N 0 0 326.352 2.447 10 10 EECERN Cc1cc(C(=O)NCc2cccc(Cl)c2O)ccc1-n1cnnn1 ZINC001606859985 1351367485 /nfs/dbraw/zinc/36/74/85/1351367485.db2.gz DIIIJDBRPNBLDB-UHFFFAOYSA-N 0 0 343.774 2.260 10 10 EECERN CO[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC001624530271 1352423534 /nfs/dbraw/zinc/42/35/34/1352423534.db2.gz RPYWOAROVMRKSC-XAVKZTDYSA-N 0 0 327.380 2.485 10 10 EECERN CCN(C)C(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001628045676 1352518640 /nfs/dbraw/zinc/51/86/40/1352518640.db2.gz LWZNDMDXYCFRJO-ZDUSSCGKSA-N 0 0 333.392 2.082 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2n(n1)CCC[C@H]2O ZINC001631438423 1352583892 /nfs/dbraw/zinc/58/38/92/1352583892.db2.gz FFZQDSNPLCAXOS-GOSISDBHSA-N 0 0 341.411 2.225 10 10 EECERN COc1ccc2[nH]c([C@H](C)NC(=O)c3cccc(O)c3O)nc2c1 ZINC001633538733 1352612071 /nfs/dbraw/zinc/61/20/71/1352612071.db2.gz VIORDEAJGXWUNI-VIFPVBQESA-N 0 0 327.340 2.474 10 10 EECERN C[C@@H](NC(=O)CCC(=O)Nc1nnc(C2CC2)o1)c1ccccc1O ZINC001635793918 1352652740 /nfs/dbraw/zinc/65/27/40/1352652740.db2.gz NRRLBCSXMUOVPG-SNVBAGLBSA-N 0 0 344.371 2.249 10 10 EECERN C[C@H]1CC(=O)Nc2ccc(C(=O)NCc3ccccc3O)cc2N1 ZINC001636057431 1352657359 /nfs/dbraw/zinc/65/73/59/1352657359.db2.gz CJDZBFAVXCPNCJ-NSHDSACASA-N 0 0 325.368 2.465 10 10 EECERN CC(=O)NCc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001641223786 1352719775 /nfs/dbraw/zinc/71/97/75/1352719775.db2.gz ABAKCXQIQPXRHE-CLFYSBASSA-N 0 0 340.379 2.064 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001642456056 1352731443 /nfs/dbraw/zinc/73/14/43/1352731443.db2.gz CRGLTSXXEGNMHR-UHFFFAOYSA-N 0 0 344.396 2.287 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1ccc2c(n1)OCCO2 ZINC001643285204 1352745045 /nfs/dbraw/zinc/74/50/45/1352745045.db2.gz TYFARAAUFFCCCJ-UHFFFAOYSA-N 0 0 337.335 2.037 10 10 EECERN Cc1nc([C@@H]2CCOC2)sc1C(=O)NCc1c(O)cccc1O ZINC001645363146 1352776828 /nfs/dbraw/zinc/77/68/28/1352776828.db2.gz NOQQHAKSLWPRSL-SNVBAGLBSA-N 0 0 334.397 2.297 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccc(Cn2ccnn2)cc1 ZINC001652297979 1354086037 /nfs/dbraw/zinc/08/60/37/1354086037.db2.gz CRTUIWUYIANICO-UHFFFAOYSA-N 0 0 326.331 2.101 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1(CCO)CC1 ZINC000840478883 782655600 /nfs/dbraw/zinc/65/56/00/782655600.db2.gz CTEOOSHMRMOBNO-OAHLLOKOSA-N 0 0 333.476 2.454 10 10 EECERN C[C@H](NC(=O)NCc1c(O)cccc1F)C(=O)N1CCCC[C@H]1C ZINC000919373647 769828468 /nfs/dbraw/zinc/82/84/68/769828468.db2.gz CPDJATFJKANSTG-NEPJUHHUSA-N 0 0 337.395 2.120 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(CCc2ccccc2)CC1 ZINC001136108981 785179113 /nfs/dbraw/zinc/17/91/13/785179113.db2.gz KAFJPDHOMOPKMK-UHFFFAOYSA-N 0 0 340.423 2.027 10 10 EECERN COCC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1 ZINC000908386974 785352150 /nfs/dbraw/zinc/35/21/50/785352150.db2.gz YCENQIAJLHAYHF-UHFFFAOYSA-N 0 0 337.397 2.238 10 10 EECERN CCc1nc(CN2C(=O)CN(Cc3ccccc3O)C2=O)cs1 ZINC000819167899 785442017 /nfs/dbraw/zinc/44/20/17/785442017.db2.gz JRQSQZVYDYCLAL-UHFFFAOYSA-N 0 0 331.397 2.376 10 10 EECERN Cn1c(=O)oc2c1cccc2C(=O)NCc1cc(Cl)ccc1O ZINC001146233602 791143605 /nfs/dbraw/zinc/14/36/05/791143605.db2.gz XVCHZLDATDNJTB-UHFFFAOYSA-N 0 0 332.743 2.421 10 10 EECERN CC(C)C(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000031730597 786555207 /nfs/dbraw/zinc/55/52/07/786555207.db2.gz SNHBJZWLJNLMQQ-UHFFFAOYSA-N 0 0 346.475 2.199 10 10 EECERN CN(C)c1ccc(CN(C(=O)CCc2cnn(C)n2)C2CC2)cc1 ZINC000822415864 787190341 /nfs/dbraw/zinc/19/03/41/787190341.db2.gz GRTDQTSDCQJNIA-UHFFFAOYSA-N 0 0 327.432 2.005 10 10 EECERN Cc1ccn([C@@H](C)CC(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000823292826 787681335 /nfs/dbraw/zinc/68/13/35/787681335.db2.gz SGTFZNHCBHMNJP-INIZCTEOSA-N 0 0 342.443 2.296 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cnc(NC)cn2)cc1F ZINC001136730114 787784265 /nfs/dbraw/zinc/78/42/65/787784265.db2.gz CFRNLHSZLMKHGP-UHFFFAOYSA-N 0 0 331.395 2.434 10 10 EECERN CC(C)(NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(F)F ZINC000823530163 787787247 /nfs/dbraw/zinc/78/72/47/787787247.db2.gz BCXSISJIEMCPGV-UHFFFAOYSA-N 0 0 341.402 2.491 10 10 EECERN CN(C)c1ccc(CNC(=O)Nc2ccc3c(n2)OCCO3)cc1 ZINC000825033611 788407528 /nfs/dbraw/zinc/40/75/28/788407528.db2.gz QPAGICRQUDVZCO-UHFFFAOYSA-N 0 0 328.372 2.241 10 10 EECERN CCN(OC)C(=O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000844071494 788842253 /nfs/dbraw/zinc/84/22/53/788842253.db2.gz OOEONXXQSDXHGA-UHFFFAOYSA-N 0 0 335.429 2.295 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCO[C@H]3C3CC3)C2)cc1 ZINC000923187270 789086890 /nfs/dbraw/zinc/08/68/90/789086890.db2.gz WSSXAKBFOIFUIX-OLMNPRSZSA-N 0 0 345.443 2.141 10 10 EECERN COC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000923335448 789398159 /nfs/dbraw/zinc/39/81/59/789398159.db2.gz CUYRWBABAWRHAL-CQSZACIVSA-N 0 0 349.475 2.260 10 10 EECERN C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)c(F)cc1[O-] ZINC000846189556 790084385 /nfs/dbraw/zinc/08/43/85/790084385.db2.gz MOZNCQZFCVORMX-PRJMDXOYSA-N 0 0 331.185 2.208 10 10 EECERN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cccc(O)c1O)C(F)(F)F ZINC001148630980 792614769 /nfs/dbraw/zinc/61/47/69/792614769.db2.gz AXBSCSIUKCLJJP-CYBMUJFWSA-N 0 0 343.305 2.482 10 10 EECERN CN(C)c1ccc(CNC(=O)NCc2nc3c(s2)COCC3)cc1 ZINC000913927068 794589763 /nfs/dbraw/zinc/58/97/63/794589763.db2.gz TYXHABACOHCUOD-UHFFFAOYSA-N 0 0 346.456 2.281 10 10 EECERN Nc1ccc(Cc2nc(C(=O)OCCO[C@@H]3CCOC3)cs2)cc1 ZINC000922602815 801493081 /nfs/dbraw/zinc/49/30/81/801493081.db2.gz NTGNKWLDWYEQCK-CQSZACIVSA-N 0 0 348.424 2.278 10 10 EECERN Cn1c(NCc2ccc(N3CCC(O)CC3)cc2)nnc1C1CC1 ZINC000922662443 801599987 /nfs/dbraw/zinc/59/99/87/801599987.db2.gz KWFLJAAYNBFDBW-UHFFFAOYSA-N 0 0 327.432 2.266 10 10 EECERN O=C(NCCCC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788939881 807784398 /nfs/dbraw/zinc/78/43/98/807784398.db2.gz WFSJXDBKLXUKIA-UHFFFAOYSA-N 0 0 329.444 2.209 10 10 EECERN Cc1ccnc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000791542830 809291118 /nfs/dbraw/zinc/29/11/18/809291118.db2.gz RXVJZMMNOICDQZ-CQSZACIVSA-N 0 0 326.400 2.113 10 10 EECERN COc1ccc(O)c(CNC(=O)Nc2cnc(CC3CC3)nc2)c1 ZINC000794371602 810800221 /nfs/dbraw/zinc/80/02/21/810800221.db2.gz HGOQXRFEXRPSQW-UHFFFAOYSA-N 0 0 328.372 2.465 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cnc2c(F)cc(F)cc2c1O ZINC001445902816 1091829359 /nfs/dbraw/zinc/82/93/59/1091829359.db2.gz SPTAZLXJSWJTNM-UHFFFAOYSA-N 0 0 346.289 2.148 10 10 EECERN Cc1nnc([C@@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)[nH]1 ZINC001451614862 1097738080 /nfs/dbraw/zinc/73/80/80/1097738080.db2.gz YQBKSTDFZDMGFH-SECBINFHSA-N 0 0 344.396 2.369 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cc(F)ccc1-n1cccn1 ZINC001455315922 1108424124 /nfs/dbraw/zinc/42/41/24/1108424124.db2.gz LUOQFFOGHLWAQK-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN O=C(NCc1ccccc1-n1cccn1)c1c(F)ccc(O)c1O ZINC001457721004 1109743549 /nfs/dbraw/zinc/74/35/49/1109743549.db2.gz BDXMZTLZHGRWRY-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN CCc1nc2c(nccc2C(=O)NCc2cccc(OC)c2O)[nH]1 ZINC001465991798 1110427834 /nfs/dbraw/zinc/42/78/34/1110427834.db2.gz FVMTVTLAYOZVTA-UHFFFAOYSA-N 0 0 326.356 2.165 10 10 EECERN CC(=O)N(C)c1ccc(NC(=O)NCc2cc(C)ccc2O)cn1 ZINC001476775418 1110633766 /nfs/dbraw/zinc/63/37/66/1110633766.db2.gz CQJVDIJCUJMAHI-UHFFFAOYSA-N 0 0 328.372 2.400 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)cc1 ZINC001522643783 1119447098 /nfs/dbraw/zinc/44/70/98/1119447098.db2.gz DXNMNWFVEWJQSJ-MSOLQXFVSA-N 0 0 342.439 2.157 10 10 EECERN CC/C=C(/F)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001542431823 1124113404 /nfs/dbraw/zinc/11/34/04/1124113404.db2.gz ITSGPEOAZMOCLV-HAVNEIBRSA-N 0 0 335.423 2.197 10 10 EECERN Cc1noc(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000119638330 462918725 /nfs/dbraw/zinc/91/87/25/462918725.db2.gz KTNDXODVTDVFOZ-UHFFFAOYSA-N 0 0 325.372 2.153 10 10 EECERN COc1ccc(CNC(=O)CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000121362857 463123485 /nfs/dbraw/zinc/12/34/85/463123485.db2.gz HSFMTOBXVKEVGZ-UHFFFAOYSA-N 0 0 328.368 2.177 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1F ZINC000121733349 463185832 /nfs/dbraw/zinc/18/58/32/463185832.db2.gz OYSXSXWZCCRFBW-DOTOQJQBSA-N 0 0 336.407 2.441 10 10 EECERN C[C@H](CN1CCCC1=O)NC(=O)/C=C\c1ccc2c(c1)CCCN2C ZINC000096400956 463237066 /nfs/dbraw/zinc/23/70/66/463237066.db2.gz WZJPHEKPHALAMW-WKTRQSJXSA-N 0 0 341.455 2.209 10 10 EECERN CCOc1ccc2nc(C(=O)NCc3ccc(N(C)C)cc3)cn2n1 ZINC000097938886 463365315 /nfs/dbraw/zinc/36/53/15/463365315.db2.gz PZGGXUZWFNOZFW-UHFFFAOYSA-N 0 0 339.399 2.124 10 10 EECERN CN(c1ccc(CNC(=O)[C@@H]2COC(=O)N2)cc1)C1CCCCC1 ZINC000282953550 463713092 /nfs/dbraw/zinc/71/30/92/463713092.db2.gz HJJQMJBEIDPSRB-INIZCTEOSA-N 0 0 331.416 2.180 10 10 EECERN COC(=O)[C@@H](CF)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000288435188 464045338 /nfs/dbraw/zinc/04/53/38/464045338.db2.gz VFVRHOSFKXFTGZ-OAHLLOKOSA-N 0 0 336.338 2.474 10 10 EECERN COCCC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000291159280 464146080 /nfs/dbraw/zinc/14/60/80/464146080.db2.gz FPZGEDHMUHZNNR-UHFFFAOYSA-N 0 0 347.459 2.091 10 10 EECERN COc1cc(N(C)Cc2nnc(C3CC3)n2C)cc(OC)c1OC ZINC000172895960 464162387 /nfs/dbraw/zinc/16/23/87/464162387.db2.gz UWYNAANUINXEPF-UHFFFAOYSA-N 0 0 332.404 2.355 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cc(C(=O)OC)on2)cc1F ZINC000280785599 464252240 /nfs/dbraw/zinc/25/22/40/464252240.db2.gz NUJYHXUYAGSTRR-UHFFFAOYSA-N 0 0 349.362 2.377 10 10 EECERN CC(C)c1nnc2n1CCN(Cc1cc3c(cc1O)OCO3)[C@H]2C ZINC000190224409 464609801 /nfs/dbraw/zinc/60/98/01/464609801.db2.gz XSUUXJSKAICBJE-NSHDSACASA-N 0 0 330.388 2.413 10 10 EECERN CCCN(CCC)c1ccc(CN2CCO[C@@H](C(=O)NC)C2)cc1 ZINC000182444192 464656964 /nfs/dbraw/zinc/65/69/64/464656964.db2.gz IJLQPQNXYPXSIX-GOSISDBHSA-N 0 0 333.476 2.260 10 10 EECERN COC[C@](C)(CCO)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000182841808 464739398 /nfs/dbraw/zinc/73/93/98/464739398.db2.gz UULXNJOGSOGRPV-SFHVURJKSA-N 0 0 331.416 2.006 10 10 EECERN [O-]c1cc(F)c(Cl)cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000295264250 464766583 /nfs/dbraw/zinc/76/65/83/464766583.db2.gz HEESGVLOXKXGIU-UHFFFAOYSA-N 0 0 328.815 2.481 10 10 EECERN CO[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[C@@H]1C ZINC000275790561 464789371 /nfs/dbraw/zinc/78/93/71/464789371.db2.gz AVMHZHDYZMETOO-YJBOKZPZSA-N 0 0 347.459 2.090 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000298355074 465372991 /nfs/dbraw/zinc/37/29/91/465372991.db2.gz TWQZHJPESJWZAS-WBVHZDCISA-N 0 0 337.414 2.346 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)Cn2cncn2)cc1 ZINC000299642308 465838468 /nfs/dbraw/zinc/83/84/68/465838468.db2.gz NPRVUKAEZFURPB-AWEZNQCLSA-N 0 0 330.436 2.012 10 10 EECERN O=C(c1cccc(O)c1O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000367266980 466227046 /nfs/dbraw/zinc/22/70/46/466227046.db2.gz LPLLYJQLNDBQFH-IBGZPJMESA-N 0 0 327.380 2.264 10 10 EECERN CCOCc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)ccc1OC ZINC000363264297 466317292 /nfs/dbraw/zinc/31/72/92/466317292.db2.gz LCEPRLYOISGDTB-KBRIMQKVSA-N 0 0 332.444 2.331 10 10 EECERN Cc1cc(C(=O)N2CC(F)(F)C[C@@H]2CO)c(C)n1-c1ccccn1 ZINC000372557407 466469032 /nfs/dbraw/zinc/46/90/32/466469032.db2.gz MMCYGVRHBFFGBP-CYBMUJFWSA-N 0 0 335.354 2.331 10 10 EECERN Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c(O)c1O ZINC000376269299 466902463 /nfs/dbraw/zinc/90/24/63/466902463.db2.gz HOAAQOZZQJGNQH-NSHDSACASA-N 0 0 330.388 2.215 10 10 EECERN CC(C)c1ncc2c(n1)CCN(C(=O)c1c(F)ccc(O)c1O)C2 ZINC000527624852 467664058 /nfs/dbraw/zinc/66/40/58/467664058.db2.gz LSHLLRPHZRMILB-UHFFFAOYSA-N 0 0 331.347 2.349 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@H]2COc3ccc(F)cc3C2)c1 ZINC000378108902 534200084 /nfs/dbraw/zinc/20/00/84/534200084.db2.gz HPAHLSAZMZQIRH-CQSZACIVSA-N 0 0 346.358 2.343 10 10 EECERN C[C@@H]1CN(c2ccc(CNC(=O)C3=CC(=O)CS3)cn2)C[C@H](C)O1 ZINC000731869450 577131317 /nfs/dbraw/zinc/13/13/17/577131317.db2.gz IBXHCMWXORFQCF-TXEJJXNPSA-N 0 0 347.440 2.392 10 10 EECERN CCc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000773847663 577368559 /nfs/dbraw/zinc/36/85/59/577368559.db2.gz RXFHRBXCNZKSKP-NSHDSACASA-N 0 0 330.388 2.119 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC2CCCCC2)cc1 ZINC000774493174 577401037 /nfs/dbraw/zinc/40/10/37/577401037.db2.gz BETZZXFDNCUDJS-UHFFFAOYSA-N 0 0 331.460 2.408 10 10 EECERN Cc1cc(C(=O)N2CCOC[C@H]2CCO)c(C)n1-c1ccc(F)cc1 ZINC000765431412 577501015 /nfs/dbraw/zinc/50/10/15/577501015.db2.gz WVFFJMXAWJWQIT-QGZVFWFLSA-N 0 0 346.402 2.457 10 10 EECERN COC[C@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000768456377 577556124 /nfs/dbraw/zinc/55/61/24/577556124.db2.gz MLOYPOSNIWAKJJ-IBGZPJMESA-N 0 0 346.427 2.230 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C\c2cnn(CC)c2)c2ccccc21 ZINC000755411830 577824826 /nfs/dbraw/zinc/82/48/26/577824826.db2.gz VMQCZEPLHQMCJE-DHDCSXOGSA-N 0 0 325.368 2.353 10 10 EECERN COc1cccc(CNC(=O)NCCc2cnc(C3CC3)nc2)c1O ZINC000756732289 577849539 /nfs/dbraw/zinc/84/95/39/577849539.db2.gz CZGQQLFWABILQA-UHFFFAOYSA-N 0 0 342.399 2.110 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 ZINC000747465527 577944898 /nfs/dbraw/zinc/94/48/98/577944898.db2.gz GEBFMXLRJNBCLJ-KRWDZBQOSA-N 0 0 333.428 2.423 10 10 EECERN O=C(NCc1cc(Br)ccc1O)[C@H]1C[C@@]12CCOC2 ZINC000804735572 675609833 /nfs/dbraw/zinc/60/98/33/675609833.db2.gz FKLDJBLCTARJTQ-BXUZGUMPSA-N 0 0 326.190 2.198 10 10 EECERN C[C@H](CCNC(=O)NCc1ccc2c(c1)CCCN2C)[S@](C)=O ZINC000166698836 682537979 /nfs/dbraw/zinc/53/79/79/682537979.db2.gz IMTMPPUWVLHEHE-JCQPUDPBSA-N 0 0 337.489 2.025 10 10 EECERN O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)c1cccc(O)c1O ZINC000899454074 693747409 /nfs/dbraw/zinc/74/74/09/693747409.db2.gz FCGQHHUVUVJBPH-ZDUSSCGKSA-N 0 0 335.400 2.194 10 10 EECERN COC[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000914336081 683512313 /nfs/dbraw/zinc/51/23/13/683512313.db2.gz XUNJSMFTJGAGKG-KRWDZBQOSA-N 0 0 349.475 2.241 10 10 EECERN COC(=O)C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000896903218 685761749 /nfs/dbraw/zinc/76/17/49/685761749.db2.gz MPUVWDRCKIGDBL-SNVBAGLBSA-N 0 0 335.381 2.384 10 10 EECERN CN(C)Cc1csc(CNC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000924789508 694230369 /nfs/dbraw/zinc/23/03/69/694230369.db2.gz UPVJKPIOXIUFIM-UHFFFAOYSA-N 0 0 332.429 2.136 10 10 EECERN CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065933 694280948 /nfs/dbraw/zinc/28/09/48/694280948.db2.gz WDOKIJZWFAPOPN-OAHLLOKOSA-N 0 0 344.415 2.185 10 10 EECERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@]2(CCOC2)O1 ZINC000897627968 691706755 /nfs/dbraw/zinc/70/67/55/691706755.db2.gz ZBUDYFCMFXDMEO-BTDLBPIBSA-N 0 0 349.408 2.333 10 10 EECERN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1 ZINC001687302946 1177280369 /nfs/dbraw/zinc/28/03/69/1177280369.db2.gz MPWMFHGOWWAEEF-PBHICJAKSA-N 0 0 343.383 2.131 10 10 EECERN COc1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)ncn1 ZINC001126783120 1188201535 /nfs/dbraw/zinc/20/15/35/1188201535.db2.gz FLRWIDZMRZALFP-UHFFFAOYSA-N 0 0 346.350 2.447 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1c1ccnn1CC1CCC1 ZINC000864573981 1197810663 /nfs/dbraw/zinc/81/06/63/1197810663.db2.gz UWXLGNJJOHSLJV-UHFFFAOYSA-N 0 0 340.383 2.358 10 10 EECERN COc1ccc(C[NH2+][C@@H]2CC=C(C(=O)[O-])C2)cc1Cn1cccn1 ZINC000871874222 1197947843 /nfs/dbraw/zinc/94/78/43/1197947843.db2.gz ILZLVUAVTNGSDK-MRXNPFEDSA-N 0 0 327.384 2.203 10 10 EECERN CC[C@H](C)C(=O)N(C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001299316866 1197959609 /nfs/dbraw/zinc/95/96/09/1197959609.db2.gz YAJBFDBUMUVBIL-NSHDSACASA-N 0 0 345.403 2.178 10 10 EECERN COc1ccnc(OC)c1C(=O)NCCCSc1nccs1 ZINC000865784482 1198374252 /nfs/dbraw/zinc/37/42/52/1198374252.db2.gz YYVKNVGQQBOMLN-UHFFFAOYSA-N 0 0 339.442 2.468 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2ncon2)cc1 ZINC000122876843 1200382871 /nfs/dbraw/zinc/38/28/71/1200382871.db2.gz HXRPLXSEBMJCJC-UHFFFAOYSA-N 0 0 325.324 2.120 10 10 EECERN C[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000867504526 1201624288 /nfs/dbraw/zinc/62/42/88/1201624288.db2.gz WXZYLSYPDURQOP-GDLCADMTSA-N 0 0 346.349 2.276 10 10 EECERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)[C@]12CCCO2 ZINC000868500597 1201822970 /nfs/dbraw/zinc/82/29/70/1201822970.db2.gz UOZDUZMXVFNVKY-BWUSGFMJSA-N 0 0 334.416 2.479 10 10 EECERN COc1ccc(CNC(=O)NC[C@@H]2C[C@H]2C2CCOCC2)c(O)c1 ZINC000869051728 1201929730 /nfs/dbraw/zinc/92/97/30/1201929730.db2.gz RXZOUCAOGOGLOU-HOCLYGCPSA-N 0 0 334.416 2.263 10 10 EECERN Cc1conc1CNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001275046087 1205242853 /nfs/dbraw/zinc/24/28/53/1205242853.db2.gz OJGHGDLEVJZINI-LLVKDONJSA-N 0 0 344.375 2.054 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H](C1CC1)[C@H]1CCCOC1 ZINC000925270801 1206089018 /nfs/dbraw/zinc/08/90/18/1206089018.db2.gz PGCIGSSDPIMZJM-MAUKXSAKSA-N 0 0 344.411 2.362 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cc(C)n(C)n2)c1 ZINC000926372386 1206216481 /nfs/dbraw/zinc/21/64/81/1206216481.db2.gz QCIDPLJTKWHPTQ-GFCCVEGCSA-N 0 0 332.404 2.046 10 10 EECERN C[C@@H]1OCCO[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000929541424 1206484832 /nfs/dbraw/zinc/48/48/32/1206484832.db2.gz UHWWIPYGWSIHBC-YJBOKZPZSA-N 0 0 332.444 2.439 10 10 EECERN CC(=O)c1cc(F)cc(CNC2(c3ncccn3)CCOCC2)c1O ZINC000933343216 1207759233 /nfs/dbraw/zinc/75/92/33/1207759233.db2.gz LCWHOSQMDGDQOO-UHFFFAOYSA-N 0 0 345.374 2.319 10 10 EECERN CC[C@@H](C)NC(=O)CN(CC(=O)N[C@@H](C)CC)c1ccc(OC)cc1 ZINC000047549779 1208417025 /nfs/dbraw/zinc/41/70/25/1208417025.db2.gz DQZMNNYKVCIRGU-GASCZTMLSA-N 0 0 349.475 2.331 10 10 EECERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000191770979 1210379919 /nfs/dbraw/zinc/37/99/19/1210379919.db2.gz OHUULUKIKRCTFM-UHFFFAOYSA-N 0 0 343.387 2.341 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2ccc3[nH]c(CO)nc3c2)cc1 ZINC000900026545 1233984866 /nfs/dbraw/zinc/98/48/66/1233984866.db2.gz MWRSTXVOBQXDRE-UHFFFAOYSA-N 0 0 338.411 2.393 10 10 EECERN COc1ccc(N(C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000801520583 1235771763 /nfs/dbraw/zinc/77/17/63/1235771763.db2.gz HDPVPAFFRRUYDI-NSHDSACASA-N 0 0 332.853 2.066 10 10 EECERN C[C@@H](Cn1ncc2ccccc21)C(=O)NCc1ccc(O)c(O)c1 ZINC000802784093 1238228536 /nfs/dbraw/zinc/22/85/36/1238228536.db2.gz IBZSGWAUMRHSPZ-LBPRGKRZSA-N 0 0 325.368 2.400 10 10 EECERN COC(=O)CCc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC001137443702 1248460252 /nfs/dbraw/zinc/46/02/52/1248460252.db2.gz ZURCVBWTIDCZAS-UHFFFAOYSA-N 0 0 329.352 2.133 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3c(C)noc3C)C2)cc1 ZINC000852007759 1291950685 /nfs/dbraw/zinc/95/06/85/1291950685.db2.gz AQEDMZPJAHZZOJ-AWEZNQCLSA-N 0 0 344.415 2.378 10 10 EECERN Cc1cc(CC(=O)O[C@@H]2CCCNC2=O)c(C)n1-c1ccccc1 ZINC000853114088 1292287943 /nfs/dbraw/zinc/28/79/43/1292287943.db2.gz PAJWIINLPBZKJL-QGZVFWFLSA-N 0 0 326.396 2.458 10 10 EECERN COCC1=CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854298508 1292710254 /nfs/dbraw/zinc/71/02/54/1292710254.db2.gz DHLDJQPDWLABRG-INIZCTEOSA-N 0 0 345.443 2.262 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(CC(C)(C)O)C3CC3)C2)cc1 ZINC000854298387 1292710516 /nfs/dbraw/zinc/71/05/16/1292710516.db2.gz CCGZEEDFAPTPFG-AWEZNQCLSA-N 0 0 347.459 2.219 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H]3C(C)(C)O)C2)cc1 ZINC000854299715 1292711340 /nfs/dbraw/zinc/71/13/40/1292711340.db2.gz RCSFFXNXVMBAMF-PBHICJAKSA-N 0 0 347.459 2.219 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C=O)[nH]c3C)C2)cc1 ZINC000855223780 1293116875 /nfs/dbraw/zinc/11/68/75/1293116875.db2.gz HVLMTCRFGVPGJJ-ZDUSSCGKSA-N 0 0 327.384 2.153 10 10 EECERN CCc1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc(=O)[nH]1 ZINC000855227999 1293120067 /nfs/dbraw/zinc/12/00/67/1293120067.db2.gz SVZLIXHOQLDPIQ-HNNXBMFYSA-N 0 0 341.411 2.367 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)n3nc(C)cc3C)C2)cc1 ZINC000855230217 1293120713 /nfs/dbraw/zinc/12/07/13/1293120713.db2.gz OJMKPINAABRHNN-CVEARBPZSA-N 0 0 342.443 2.465 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)n3nc(C)cc3C)C2)cc1 ZINC000855230225 1293120738 /nfs/dbraw/zinc/12/07/38/1293120738.db2.gz OJMKPINAABRHNN-JKSUJKDBSA-N 0 0 342.443 2.465 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCCn3ccnc3C)C2)cc1 ZINC000855229641 1293120867 /nfs/dbraw/zinc/12/08/67/1293120867.db2.gz LCDLTKPISMWHHF-MRXNPFEDSA-N 0 0 342.443 2.375 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3cscn3)C2)cc1 ZINC000855230521 1293121220 /nfs/dbraw/zinc/12/12/20/1293121220.db2.gz OOZGJCYDXGXHQD-CYBMUJFWSA-N 0 0 331.441 2.479 10 10 EECERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c(O)c1O ZINC000855870519 1293349659 /nfs/dbraw/zinc/34/96/59/1293349659.db2.gz NXUIWHDSTNTPLW-DZGCQCFKSA-N 0 0 329.400 2.281 10 10 EECERN CC1(C)CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)O1 ZINC000856213108 1293447054 /nfs/dbraw/zinc/44/70/54/1293447054.db2.gz BUODJZNVIDITQB-KRWDZBQOSA-N 0 0 332.444 2.222 10 10 EECERN CCO[C@H](CS(=O)(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000859205821 1294348252 /nfs/dbraw/zinc/34/82/52/1294348252.db2.gz FGGFEAYRPHASIV-CQSZACIVSA-N 0 0 333.837 2.280 10 10 EECERN Cc1cn2c(n1)C[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)CC2 ZINC000859420837 1294432542 /nfs/dbraw/zinc/43/25/42/1294432542.db2.gz AFFDHGZFGCRWAX-HNNXBMFYSA-N 0 0 326.444 2.445 10 10 EECERN O=C(COCC(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000860346605 1294934963 /nfs/dbraw/zinc/93/49/63/1294934963.db2.gz GATTZGRVUQONJG-ZDUSSCGKSA-N 0 0 329.343 2.182 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(=O)N(C)C2)ccc1C ZINC000860606961 1295031800 /nfs/dbraw/zinc/03/18/00/1295031800.db2.gz MVDMFCSMNQOQTQ-UHFFFAOYSA-N 0 0 339.395 2.087 10 10 EECERN CCN1CN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1=O ZINC000861305851 1295333498 /nfs/dbraw/zinc/33/34/98/1295333498.db2.gz ASCPFCPWQCZLFD-UHFFFAOYSA-N 0 0 339.395 2.168 10 10 EECERN CCn1nc(C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000861810698 1295548220 /nfs/dbraw/zinc/54/82/20/1295548220.db2.gz SCWGKFOJTIOWMB-CYBMUJFWSA-N 0 0 343.431 2.093 10 10 EECERN COC(=O)C1=CC[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000862670126 1295924606 /nfs/dbraw/zinc/92/46/06/1295924606.db2.gz ICIYWIARDGBHQZ-OAHLLOKOSA-N 0 0 339.395 2.481 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000862754482 1295951214 /nfs/dbraw/zinc/95/12/14/1295951214.db2.gz ZFJNMOMFHAVNBY-STQMWFEESA-N 0 0 347.333 2.301 10 10 EECERN Cc1cc(C(=O)NC[C@H]2COCCN2C)c(C)n1-c1cccc(C)c1 ZINC000862970618 1296051944 /nfs/dbraw/zinc/05/19/44/1296051944.db2.gz BNXRQVLYBUVJML-SFHVURJKSA-N 0 0 341.455 2.463 10 10 EECERN NC(=O)C[C@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000863324786 1296220153 /nfs/dbraw/zinc/22/01/53/1296220153.db2.gz KMIJSJGGSPNVAP-ZDUSSCGKSA-N 0 0 340.379 2.368 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCC[C@@H]21 ZINC000863331430 1296225141 /nfs/dbraw/zinc/22/51/41/1296225141.db2.gz MCOSMOBPSUNPTD-HXFZWMNWSA-N 0 0 345.395 2.301 10 10 EECERN CNC(=O)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000797766802 1304827065 /nfs/dbraw/zinc/82/70/65/1304827065.db2.gz QXYWWDLPWAQSLR-WWRUEGTHSA-N 0 0 340.379 2.105 10 10 EECERN C[C@@H](O)[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000840979805 1315450563 /nfs/dbraw/zinc/45/05/63/1315450563.db2.gz UUJWENZSWNUFQI-IAQYHMDHSA-N 0 0 332.366 2.353 10 10 EECERN CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001142423144 1315602769 /nfs/dbraw/zinc/60/27/69/1315602769.db2.gz VOGIUNYXZRYRQE-IAOVAPTHSA-N 0 0 332.444 2.307 10 10 EECERN COC[C@]1(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000842875562 1315789195 /nfs/dbraw/zinc/78/91/95/1315789195.db2.gz RTQKLHLUNOHLLF-HNAYVOBHSA-N 0 0 349.427 2.118 10 10 EECERN COC(=O)COc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001151885743 1316602776 /nfs/dbraw/zinc/60/27/76/1316602776.db2.gz FNCKXFDZDXUEPT-GFCCVEGCSA-N 0 0 329.352 2.435 10 10 EECERN CCCn1ccnc1CCCN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001154191400 1316988310 /nfs/dbraw/zinc/98/83/10/1316988310.db2.gz TZPSITKSLQNXFB-UHFFFAOYSA-N 0 0 331.416 2.338 10 10 EECERN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1c(O)cccc1O ZINC001156881186 1318256942 /nfs/dbraw/zinc/25/69/42/1318256942.db2.gz TURSNJTYSBGVHK-OAHLLOKOSA-N 0 0 348.424 2.230 10 10 EECERN COc1ccc2[nH]cc(C3=CCN(c4cc(C(N)=O)ncn4)CC3)c2c1 ZINC001162195465 1320779992 /nfs/dbraw/zinc/77/99/92/1320779992.db2.gz CJLQXHMEUIHZHQ-UHFFFAOYSA-N 0 0 349.394 2.359 10 10 EECERN Cc1cn2c(n1)C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)CC2 ZINC001261793301 1322177386 /nfs/dbraw/zinc/17/73/86/1322177386.db2.gz DFFGVBWAZVOBMW-CQSZACIVSA-N 0 0 330.407 2.275 10 10 EECERN C/C=C(/C)C(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001284016462 1326364365 /nfs/dbraw/zinc/36/43/65/1326364365.db2.gz LQEABYCHIRTGOQ-NNEUYQGQSA-N 0 0 343.387 2.146 10 10 EECERN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001295396889 1329808334 /nfs/dbraw/zinc/80/83/34/1329808334.db2.gz DZDYGRROVLMJOK-BZNIZROVSA-N 0 0 333.359 2.408 10 10 EECERN Cc1ccc(N2CCNC2=O)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001297040222 1329938160 /nfs/dbraw/zinc/93/81/60/1329938160.db2.gz OMPVMDOLKLGULH-UHFFFAOYSA-N 0 0 341.367 2.117 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1nc2cccnc2[nH]1 ZINC001297562121 1329983777 /nfs/dbraw/zinc/98/37/77/1329983777.db2.gz BZEXGFOLBWIHII-UHFFFAOYSA-N 0 0 345.399 2.398 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC(C)(C)COC(C)=O ZINC001297562419 1329983810 /nfs/dbraw/zinc/98/38/10/1329983810.db2.gz KUXZEALTWIPFLQ-UHFFFAOYSA-N 0 0 328.405 2.474 10 10 EECERN CC(C)c1nnc(N(C)Cc2ccccc2O)n1CCOCCCO ZINC001302578257 1331330032 /nfs/dbraw/zinc/33/00/32/1331330032.db2.gz FLBUSZIJDBAQLE-UHFFFAOYSA-N 0 0 348.447 2.143 10 10 EECERN CCn1cncc1/C=C1\OCCn2c(C=O)c(Br)nc21 ZINC000901573796 1331515181 /nfs/dbraw/zinc/51/51/81/1331515181.db2.gz BUSQCULWHOVHSI-WZUFQYTHSA-N 0 0 337.177 2.203 10 10 EECERN CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318516455 1332554217 /nfs/dbraw/zinc/55/42/17/1332554217.db2.gz VYQKQSHQTJNKGK-AWEZNQCLSA-N 0 0 346.431 2.039 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3cc(C)nc(C)c3)CC2)cc1 ZINC001319504946 1332712998 /nfs/dbraw/zinc/71/29/98/1332712998.db2.gz QXLQVKBUTZQDRA-UHFFFAOYSA-N 0 0 340.427 2.483 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CC[C@@H]4COC[C@H]4C3)ccc21 ZINC001330045139 1334767500 /nfs/dbraw/zinc/76/75/00/1334767500.db2.gz INBBUHOLEGRAAY-IAGOWNOFSA-N 0 0 329.444 2.247 10 10 EECERN CCOCc1cc(C[NH2+][C@@H]2CCO[C@@](C)(C(=O)[O-])C2)ccc1OC ZINC001353963130 1338379434 /nfs/dbraw/zinc/37/94/34/1338379434.db2.gz LLXHDDHMQPEAKV-CRAIPNDOSA-N 0 0 337.416 2.344 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)cc1 ZINC001354415111 1338506593 /nfs/dbraw/zinc/50/65/93/1338506593.db2.gz ROCBYFMBYVYHBO-KBAYOESNSA-N 0 0 343.471 2.454 10 10 EECERN CCCC[C@@H]1NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849358602 1339154322 /nfs/dbraw/zinc/15/43/22/1339154322.db2.gz ZNJZKSOYEWIUMC-ZBFHGGJFSA-N 0 0 331.416 2.385 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001556157696 1342423404 /nfs/dbraw/zinc/42/34/04/1342423404.db2.gz HXJGZJYBVAABSF-MEBBXXQBSA-N 0 0 331.372 2.033 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccc(OCC(F)(F)F)nc1 ZINC001558159311 1342466400 /nfs/dbraw/zinc/46/64/00/1342466400.db2.gz DOEFHTKJOUFXCC-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN CNC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC001567467125 1342765186 /nfs/dbraw/zinc/76/51/86/1342765186.db2.gz BIVOZWIQKLUEHN-NSHDSACASA-N 0 0 343.383 2.210 10 10 EECERN CCCC(=O)N[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001578159502 1344241736 /nfs/dbraw/zinc/24/17/36/1344241736.db2.gz JKZKEJVFMZEDTA-CQSZACIVSA-N 0 0 345.403 2.274 10 10 EECERN COC(=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001621984786 1352376361 /nfs/dbraw/zinc/37/63/61/1352376361.db2.gz JRSMGZIQTPJVNL-UHFFFAOYSA-N 0 0 332.360 2.312 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1nscc1Br ZINC001622753119 1352388870 /nfs/dbraw/zinc/38/88/70/1352388870.db2.gz HTUOTTIBTALQMH-UHFFFAOYSA-N 0 0 343.202 2.289 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc2c(F)cccn21 ZINC001624955016 1352435778 /nfs/dbraw/zinc/43/57/78/1352435778.db2.gz PFDOBBOYMCQMFS-JTQLQIEISA-N 0 0 329.331 2.246 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC001625097803 1352440097 /nfs/dbraw/zinc/44/00/97/1352440097.db2.gz VPRHISXYDJLAKJ-KXBFYZLASA-N 0 0 345.370 2.062 10 10 EECERN COc1cccc(O[C@H](C)CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001629936936 1352561287 /nfs/dbraw/zinc/56/12/87/1352561287.db2.gz LNMMALWCLMBIJJ-GFCCVEGCSA-N 0 0 331.368 2.233 10 10 EECERN C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1O ZINC001635793801 1352652664 /nfs/dbraw/zinc/65/26/64/1352652664.db2.gz IWBPSJSYKWYULY-GFCCVEGCSA-N 0 0 333.409 2.428 10 10 EECERN COc1nsc(OC)c1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001636066857 1352658204 /nfs/dbraw/zinc/65/82/04/1352658204.db2.gz WXBOMDZDRADMNK-QMMMGPOBSA-N 0 0 338.385 2.366 10 10 EECERN O=C(Cc1cc(C(F)(F)F)ccn1)NCc1cccc(O)c1O ZINC001637045275 1352671744 /nfs/dbraw/zinc/67/17/44/1352671744.db2.gz CHPNQWUCZVMXJS-UHFFFAOYSA-N 0 0 326.274 2.371 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCN2Cc2ccccc2)C1 ZINC001643390591 1352747511 /nfs/dbraw/zinc/74/75/11/1352747511.db2.gz TWOMFRFDMPDCSJ-UHFFFAOYSA-N 0 0 338.407 2.127 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC001647270262 1353213185 /nfs/dbraw/zinc/21/31/85/1353213185.db2.gz PVZKXVZOXVCXGM-CQSZACIVSA-N 0 0 329.352 2.196 10 10 EECERN COc1cc(C(=O)NCc2cccc(O)c2O)cc(OC)c1OC ZINC001651172990 1354042359 /nfs/dbraw/zinc/04/23/59/1354042359.db2.gz MUQVZLXSXLGSAE-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCOC2CCSCC2)cc1 ZINC001653379063 1354121845 /nfs/dbraw/zinc/12/18/45/1354121845.db2.gz RDOXJYZRPGZBCV-UHFFFAOYSA-N 0 0 336.417 2.491 10 10 EECERN CCOC(=O)c1cc(COc2ccc(N(C)C)c(C(=O)OC)c2)on1 ZINC000918652580 769283459 /nfs/dbraw/zinc/28/34/59/769283459.db2.gz ZPSRTMBINYBPTE-UHFFFAOYSA-N 0 0 348.355 2.283 10 10 EECERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000920497625 770728405 /nfs/dbraw/zinc/72/84/05/770728405.db2.gz ZLRBFDHQVRIDTC-JTQLQIEISA-N 0 0 334.395 2.312 10 10 EECERN CC1(C)CCC[C@@H](CS(=O)(=O)NCc2c(O)cccc2F)O1 ZINC000921451911 773382836 /nfs/dbraw/zinc/38/28/36/773382836.db2.gz YMYOUHZQQRPQRJ-NSHDSACASA-N 0 0 331.409 2.298 10 10 EECERN COc1ccc(N2CCN(C(=O)/C=C/c3cncc(O)c3)CC2)cc1 ZINC000181775802 777657241 /nfs/dbraw/zinc/65/72/41/777657241.db2.gz USZNVULDIIPYEQ-FARCUNLSSA-N 0 0 339.395 2.158 10 10 EECERN Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)c(O)c1O ZINC000182906179 779951715 /nfs/dbraw/zinc/95/17/15/779951715.db2.gz FXOGUKOAMPNOAM-GFCCVEGCSA-N 0 0 338.367 2.478 10 10 EECERN COc1ccc(CNS(=O)(=O)CC2Cc3ccccc3C2)c(O)c1 ZINC000809841797 783405733 /nfs/dbraw/zinc/40/57/33/783405733.db2.gz XRGFFNSOWVBRHJ-UHFFFAOYSA-N 0 0 347.436 2.235 10 10 EECERN CCOC(=O)[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907414773 784610579 /nfs/dbraw/zinc/61/05/79/784610579.db2.gz JZYLBLZPZSROBF-SNVBAGLBSA-N 0 0 335.381 2.480 10 10 EECERN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H](O)CN1CCOCC1 ZINC000817299213 784664793 /nfs/dbraw/zinc/66/47/93/784664793.db2.gz WSFKNNUBNMNPKH-QZTJIDSGSA-N 0 0 348.487 2.023 10 10 EECERN COCC[C@@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1 ZINC000907788844 784866908 /nfs/dbraw/zinc/86/69/08/784866908.db2.gz GAFIHJQKWJTWCR-MRXNPFEDSA-N 0 0 337.397 2.238 10 10 EECERN O=C(/C=C\[C@@H]1CCCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000819132478 785417408 /nfs/dbraw/zinc/41/74/08/785417408.db2.gz WQIBEQCTODSUKG-VOKGJARPSA-N 0 0 334.391 2.014 10 10 EECERN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(F)=C3CCC3)cc2)C1 ZINC000819140191 785419874 /nfs/dbraw/zinc/41/98/74/785419874.db2.gz QTXSCFZPVJYQRT-OAHLLOKOSA-N 0 0 345.418 2.412 10 10 EECERN COc1ccc(N2CC[C@@H](CNc3ccncc3[N+](=O)[O-])C2)cc1 ZINC000819934932 785731415 /nfs/dbraw/zinc/73/14/15/785731415.db2.gz IOPLEJCMJAZNSF-ZDUSSCGKSA-N 0 0 328.372 2.359 10 10 EECERN COC(=O)C=Cc1ccc(N2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000820580882 785983941 /nfs/dbraw/zinc/98/39/41/785983941.db2.gz GBRFHNAMLQFXOF-HWKANZROSA-N 0 0 328.328 2.067 10 10 EECERN CO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCOC1 ZINC000821032705 786565861 /nfs/dbraw/zinc/56/58/61/786565861.db2.gz FLBXVEVNUPKJKT-MAUKXSAKSA-N 0 0 332.444 2.295 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COCc1nccn1C ZINC000822898298 787449998 /nfs/dbraw/zinc/44/99/98/787449998.db2.gz MEACLFFWBONWOW-UHFFFAOYSA-N 0 0 344.459 2.440 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1cc2c([nH]c1=O)CCOC2 ZINC000911896711 787802070 /nfs/dbraw/zinc/80/20/70/787802070.db2.gz DSKYXYZVZGHVEC-UHFFFAOYSA-N 0 0 334.759 2.149 10 10 EECERN CN(c1ccc(CNC(=O)[C@H]2CN(C)C(=O)N2)cc1)C1CCCCC1 ZINC000824250713 788108655 /nfs/dbraw/zinc/10/86/55/788108655.db2.gz GNFLSGVCBKNJHY-QGZVFWFLSA-N 0 0 344.459 2.095 10 10 EECERN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)c(N(C)C)nn1 ZINC000824541715 788225165 /nfs/dbraw/zinc/22/51/65/788225165.db2.gz HERSDUNVNYGOQA-UHFFFAOYSA-N 0 0 328.420 2.239 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@](C)(CO)C(C)C)C2)cc1 ZINC000824685949 788273960 /nfs/dbraw/zinc/27/39/60/788273960.db2.gz JMCJKPHBAVEMSN-BEFAXECRSA-N 0 0 349.475 2.228 10 10 EECERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000824777691 788298427 /nfs/dbraw/zinc/29/84/27/788298427.db2.gz NVCORWKKYAPEPQ-INDMIFKZSA-N 0 0 344.455 2.153 10 10 EECERN Cc1cc(CN2CCn3nnc(CO)c3C2)ccc1N1CCCCC1 ZINC000844329728 789006279 /nfs/dbraw/zinc/00/62/79/789006279.db2.gz INIXTNBEOUIMAS-UHFFFAOYSA-N 0 0 341.459 2.085 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC(=O)CC[C@@H]3C)C2)cc1 ZINC000923185233 789073236 /nfs/dbraw/zinc/07/32/36/789073236.db2.gz DNTYVJZMPZYJJA-UONOGXRCSA-N 0 0 331.416 2.037 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCn4cccc4C3)C2)cc1 ZINC000923184594 789073291 /nfs/dbraw/zinc/07/32/91/789073291.db2.gz CMCZMLGKJPXLNT-OAHLLOKOSA-N 0 0 340.427 2.301 10 10 EECERN O=C1N[C@@H](CCF)C(=O)N1Cc1ccc(N2CCSCC2)cc1 ZINC000844719662 789323975 /nfs/dbraw/zinc/32/39/75/789323975.db2.gz QFQLVZNXMMFSFR-AWEZNQCLSA-N 0 0 337.420 2.020 10 10 EECERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000844756432 789351038 /nfs/dbraw/zinc/35/10/38/789351038.db2.gz FBHFWQDLISWIMJ-HIFRSBDPSA-N 0 0 337.416 2.370 10 10 EECERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000844756434 789351341 /nfs/dbraw/zinc/35/13/41/789351341.db2.gz FBHFWQDLISWIMJ-ZFWWWQNUSA-N 0 0 337.416 2.370 10 10 EECERN CN(C)c1ccc(CN2CCn3c(CC4CC4)nnc3C2)cc1F ZINC000846014099 790022456 /nfs/dbraw/zinc/02/24/56/790022456.db2.gz OSRCMWDYAOTXMO-UHFFFAOYSA-N 0 0 329.423 2.452 10 10 EECERN C[C@H](NC(=O)c1cccn1CCN1CCOCC1)c1ccccc1O ZINC000913763740 794247753 /nfs/dbraw/zinc/24/77/53/794247753.db2.gz QHRQGIUJDTZMSU-HNNXBMFYSA-N 0 0 343.427 2.017 10 10 EECERN Cc1cc(=O)[nH]cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000154120811 797743792 /nfs/dbraw/zinc/74/37/92/797743792.db2.gz KUBNSGWVQXMYCD-OAHLLOKOSA-N 0 0 342.395 2.210 10 10 EECERN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000916799559 797895739 /nfs/dbraw/zinc/89/57/39/797895739.db2.gz CKZAUYPXXSIEAY-LLVKDONJSA-N 0 0 347.394 2.410 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N(CCOC)[C@@H]2CCOC2)cc1 ZINC000786999347 806959637 /nfs/dbraw/zinc/95/96/37/806959637.db2.gz IIECBRKSEFQOPR-GOSISDBHSA-N 0 0 349.475 2.480 10 10 EECERN COC(=O)CC1(CC(=O)NCCc2ccc(O)c(O)c2)CCCC1 ZINC000787131102 807011845 /nfs/dbraw/zinc/01/18/45/807011845.db2.gz GZXXNQYRURTWAK-UHFFFAOYSA-N 0 0 335.400 2.270 10 10 EECERN COc1nn(C)cc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000789316526 807939443 /nfs/dbraw/zinc/93/94/43/807939443.db2.gz DDZDPHQJFUZURN-UHFFFAOYSA-N 0 0 329.404 2.133 10 10 EECERN O=C(NC1CCN(c2ccccn2)CC1)c1c(F)ccc(O)c1O ZINC000789956734 808291197 /nfs/dbraw/zinc/29/11/97/808291197.db2.gz ICKYKQWDWPAQOM-UHFFFAOYSA-N 0 0 331.347 2.031 10 10 EECERN CN(C)c1ccc(CNC(=O)C2CN(CC(F)(F)F)C2)cc1F ZINC000806685177 811962209 /nfs/dbraw/zinc/96/22/09/811962209.db2.gz OZRYRVSFZJFSAW-UHFFFAOYSA-N 0 0 333.329 2.002 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000806819851 812002777 /nfs/dbraw/zinc/00/27/77/812002777.db2.gz HUOOZMUEORGJSF-IBGZPJMESA-N 0 0 347.459 2.152 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)C1CN(CC(F)(F)F)C1 ZINC000806943189 812041886 /nfs/dbraw/zinc/04/18/86/812041886.db2.gz RFPNHFMWOBIJSI-UHFFFAOYSA-N 0 0 342.361 2.381 10 10 EECERN CCOc1cc2c(cc1C=CC(=O)OCC(=O)C(C)=O)O[C@@H](C)C2 ZINC000808486368 812658290 /nfs/dbraw/zinc/65/82/90/812658290.db2.gz PVYAPHYHHUSCKR-GZTOBOFZSA-N 0 0 332.352 2.123 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)Nc1ccc(-c2ncon2)cc1 ZINC000809149719 812997884 /nfs/dbraw/zinc/99/78/84/812997884.db2.gz STRGLHZQGVBGIH-UHFFFAOYSA-N 0 0 326.312 2.470 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCc2ccccc2NC1=O ZINC001452658982 1105625141 /nfs/dbraw/zinc/62/51/41/1105625141.db2.gz BHHGICHEKABWHN-WCLQSUPFSA-N 0 0 338.363 2.181 10 10 EECERN COC(=O)[C@@]1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001454698689 1107520593 /nfs/dbraw/zinc/52/05/93/1107520593.db2.gz ARYUPXZXDZWHRB-QFYYESIMSA-N 0 0 332.360 2.120 10 10 EECERN COc1cccc(CO[C@@H](C)C(=O)NCc2cc(O)ccc2O)c1 ZINC001455357638 1108475051 /nfs/dbraw/zinc/47/50/51/1108475051.db2.gz URLGQFCRDHMQPM-LBPRGKRZSA-N 0 0 331.368 2.328 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1nc2cnccc2s1 ZINC001455637788 1108766403 /nfs/dbraw/zinc/76/64/03/1108766403.db2.gz WVXDFKGATVTQPP-DUXPYHPUSA-N 0 0 327.365 2.432 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC001465982235 1110427685 /nfs/dbraw/zinc/42/76/85/1110427685.db2.gz YQLJXUWGJZTNHM-UHFFFAOYSA-N 0 0 328.328 2.233 10 10 EECERN Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCc1cc(C)ccc1O ZINC001470255438 1110503850 /nfs/dbraw/zinc/50/38/50/1110503850.db2.gz VMDMZFHMEMWGOT-GZTJUZNOSA-N 0 0 349.394 2.310 10 10 EECERN O=C(CCc1nnc(C2CCCC2)o1)NCc1cc(O)ccc1O ZINC001471660856 1110527639 /nfs/dbraw/zinc/52/76/39/1110527639.db2.gz BTFMISDDCREJQP-UHFFFAOYSA-N 0 0 331.372 2.387 10 10 EECERN COc1ccc(C(=O)CCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001471661101 1110527808 /nfs/dbraw/zinc/52/78/08/1110527808.db2.gz IHKPZEFHIKAKAY-UHFFFAOYSA-N 0 0 329.352 2.386 10 10 EECERN C[C@H]([C@@H](C)C(=O)NCc1c(O)ccc2ccccc21)S(C)(=O)=O ZINC001472084663 1110541936 /nfs/dbraw/zinc/54/19/36/1110541936.db2.gz BJQJSYHVTIZBOM-VXGBXAGGSA-N 0 0 335.425 2.231 10 10 EECERN Cc1nnc2n1CCN(C(=O)c1cc3cc(O)c(O)cc3s1)[C@H]2C ZINC001472444586 1110556125 /nfs/dbraw/zinc/55/61/25/1110556125.db2.gz QHTPAMDXKAZSHK-QMMMGPOBSA-N 0 0 344.396 2.429 10 10 EECERN COc1cccc([C@@H](CNC(=O)c2c(F)ccc(O)c2O)OC)c1 ZINC001472604671 1110560440 /nfs/dbraw/zinc/56/04/40/1110560440.db2.gz FEFTVIMCMREXLN-CQSZACIVSA-N 0 0 335.331 2.363 10 10 EECERN O=C(NCc1ccccc1O)NCc1nccc(C(F)(F)F)n1 ZINC001478827884 1110658078 /nfs/dbraw/zinc/65/80/78/1110658078.db2.gz BFCZHIUTIYXGHZ-UHFFFAOYSA-N 0 0 326.278 2.200 10 10 EECERN CC(=O)NCCCn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001508378274 1115499122 /nfs/dbraw/zinc/49/91/22/1115499122.db2.gz QYNDOUHYVBHVBW-UHFFFAOYSA-N 0 0 345.447 2.270 10 10 EECERN Cn1ccnc1[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC001521459116 1119251521 /nfs/dbraw/zinc/25/15/21/1119251521.db2.gz PPJATBMQJBNUTR-NSHDSACASA-N 0 0 328.294 2.229 10 10 EECERN CC(C)[C@H](C)C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001527034505 1120641921 /nfs/dbraw/zinc/64/19/21/1120641921.db2.gz QSDBASGDDIRJTK-RYUDHWBXSA-N 0 0 347.419 2.376 10 10 EECERN CC[C@H]1C(=O)NCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001530620141 1122035138 /nfs/dbraw/zinc/03/51/38/1122035138.db2.gz SRHIZFVMMRRCNB-SFHVURJKSA-N 0 0 339.439 2.374 10 10 EECERN CNC(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001540297426 1124080198 /nfs/dbraw/zinc/08/01/98/1124080198.db2.gz UUOIYXBGWWCFQY-UHFFFAOYSA-N 0 0 325.328 2.461 10 10 EECERN Nc1ccc(CS(=O)(=O)Nc2ccc(Br)cn2)cc1 ZINC000034938955 213002594 /nfs/dbraw/zinc/00/25/94/213002594.db2.gz DANSPEIZEZGWAJ-UHFFFAOYSA-N 0 0 342.218 2.368 10 10 EECERN C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000191405759 237254289 /nfs/dbraw/zinc/25/42/89/237254289.db2.gz NFAUWESHLVIODH-CRAIPNDOSA-N 0 0 332.444 2.297 10 10 EECERN CC[C@H](C)NC(=O)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O ZINC000065239711 462745876 /nfs/dbraw/zinc/74/58/76/462745876.db2.gz JMZNIPZXKLKUTG-JTQLQIEISA-N 0 0 338.404 2.340 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)Cn2cncn2)cc1F ZINC000066927136 462949051 /nfs/dbraw/zinc/94/90/51/462949051.db2.gz SYQYQWAOSLPLQM-CYBMUJFWSA-N 0 0 348.426 2.151 10 10 EECERN C[C@H]1CCCN(S(=O)(=O)NCCCSc2nccs2)C1 ZINC000069658284 463297159 /nfs/dbraw/zinc/29/71/59/463297159.db2.gz VLGXJFDZJQBEKW-NSHDSACASA-N 0 0 335.520 2.192 10 10 EECERN CN(C)c1ccc(CN(C(=O)c2cccn(C)c2=O)C2CC2)cc1 ZINC000264228123 464290712 /nfs/dbraw/zinc/29/07/12/464290712.db2.gz LUOFYFQTIJGPBM-UHFFFAOYSA-N 0 0 325.412 2.256 10 10 EECERN O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCN1CC(F)(F)F ZINC000293768747 464420185 /nfs/dbraw/zinc/42/01/85/464420185.db2.gz ZRQXWYLOYVSSJH-SNVBAGLBSA-N 0 0 340.704 2.438 10 10 EECERN COc1ccc(N2CCCN(C(=O)/C=C/c3ccncn3)CC2)cc1 ZINC000181899264 464536567 /nfs/dbraw/zinc/53/65/67/464536567.db2.gz DAHNLTGUBGIYCP-FPYGCLRLSA-N 0 0 338.411 2.237 10 10 EECERN Cc1cc(C(=O)N2CCCN(C)C(=O)C2)c(C)n1-c1ccccc1 ZINC000189799682 464551158 /nfs/dbraw/zinc/55/11/58/464551158.db2.gz OMVLZRHSLUVSIK-UHFFFAOYSA-N 0 0 325.412 2.398 10 10 EECERN C[C@@H](O)C1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000265622141 464621717 /nfs/dbraw/zinc/62/17/17/464621717.db2.gz QNOKCPZAJOYVOR-IEXSPKMKSA-N 0 0 344.455 2.156 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272520913 464642382 /nfs/dbraw/zinc/64/23/82/464642382.db2.gz XOSBQUISXWIEMT-UHFFFAOYSA-N 0 0 345.403 2.445 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C(C)C)cc2)CC1 ZINC000190584395 464681915 /nfs/dbraw/zinc/68/19/15/464681915.db2.gz UGJKHTBBLRMUJS-RTBURBONSA-N 0 0 343.471 2.263 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccccc2)c1 ZINC000273596379 464721977 /nfs/dbraw/zinc/72/19/77/464721977.db2.gz QRPLJSQNVDJHFK-ZDUSSCGKSA-N 0 0 342.395 2.259 10 10 EECERN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(F)ccc1O ZINC000191546481 464819995 /nfs/dbraw/zinc/81/99/95/464819995.db2.gz LMFMNSGVCSQWIE-UHFFFAOYSA-N 0 0 336.388 2.002 10 10 EECERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(OC)c(OC)cc1O ZINC000276172545 464834756 /nfs/dbraw/zinc/83/47/56/464834756.db2.gz SQJIBTFMINFGOS-PPHDSNJXSA-N 0 0 335.400 2.183 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnc(N(C)C)nc1 ZINC000183259658 464836387 /nfs/dbraw/zinc/83/63/87/464836387.db2.gz ZDCYGGCHJHLMKW-UHFFFAOYSA-N 0 0 342.403 2.040 10 10 EECERN Cc1ccc(C(=O)N2CCCN(c3ccccn3)CC2)c(O)c1O ZINC000184236971 464955458 /nfs/dbraw/zinc/95/54/58/464955458.db2.gz GTIISGHZMQJOPV-UHFFFAOYSA-N 0 0 327.384 2.154 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000369388859 466730792 /nfs/dbraw/zinc/73/07/92/466730792.db2.gz IXVUWKFTIUBRMP-IBGZPJMESA-N 0 0 339.439 2.251 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](C4CCOCC4)C3)cc2N1 ZINC000374352992 467041483 /nfs/dbraw/zinc/04/14/83/467041483.db2.gz QJGMRMYFMHJLMB-LBPRGKRZSA-N 0 0 347.371 2.179 10 10 EECERN Cc1ccc(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c(O)c1O ZINC000378570454 467344170 /nfs/dbraw/zinc/34/41/70/467344170.db2.gz JTRPHAOJFQPSBX-CYBMUJFWSA-N 0 0 329.400 2.471 10 10 EECERN CN(C)c1ccc(CNC(=O)NCC2(O)Cc3ccccc3C2)cc1 ZINC000738447652 578015629 /nfs/dbraw/zinc/01/56/29/578015629.db2.gz KFXSIIRJPWHXGK-UHFFFAOYSA-N 0 0 339.439 2.082 10 10 EECERN CCc1n[nH]cc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726563870 576277383 /nfs/dbraw/zinc/27/73/83/576277383.db2.gz VJQJAAWQGBGZAE-UHFFFAOYSA-N 0 0 328.416 2.380 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC000772944980 577306911 /nfs/dbraw/zinc/30/69/11/577306911.db2.gz DUVIPQZQUDNOAF-XQRVVYSFSA-N 0 0 348.355 2.124 10 10 EECERN C[C@@H](NC(=O)N1CCO[C@@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000773620832 577354985 /nfs/dbraw/zinc/35/49/85/577354985.db2.gz XDOLBCKFXPXCMN-KDOFPFPSSA-N 0 0 333.432 2.015 10 10 EECERN COC(=O)[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000759601934 577646306 /nfs/dbraw/zinc/64/63/06/577646306.db2.gz QSLOJSDGMZYZAD-NSHDSACASA-N 0 0 343.474 2.220 10 10 EECERN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cncnc1 ZINC000764624854 577740171 /nfs/dbraw/zinc/74/01/71/577740171.db2.gz JKLLMKZDGHXVOX-PBHICJAKSA-N 0 0 341.411 2.494 10 10 EECERN Cn1ccc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000754888710 577815786 /nfs/dbraw/zinc/81/57/86/577815786.db2.gz KFOLXNDGOAWMGY-UHFFFAOYSA-N 0 0 328.397 2.407 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000756121082 577838750 /nfs/dbraw/zinc/83/87/50/577838750.db2.gz GDGHNFKVOROKAV-KMDWOBIYSA-N 0 0 336.351 2.135 10 10 EECERN CN(C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000756644100 577847920 /nfs/dbraw/zinc/84/79/20/577847920.db2.gz GOTFPKOOAKGOQG-CYBMUJFWSA-N 0 0 345.351 2.020 10 10 EECERN CCSc1ccccc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000757047616 577855595 /nfs/dbraw/zinc/85/55/95/577855595.db2.gz QJDSTDGRXGMKCZ-UHFFFAOYSA-N 0 0 327.471 2.448 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCCNC1=O ZINC000749601110 577978763 /nfs/dbraw/zinc/97/87/63/577978763.db2.gz MRPCJJYRDQQJQC-INIZCTEOSA-N 0 0 325.412 2.411 10 10 EECERN CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897457674 690562110 /nfs/dbraw/zinc/56/21/10/690562110.db2.gz HKZREAIUIXOAFC-NSHDSACASA-N 0 0 348.424 2.395 10 10 EECERN COC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCCO1 ZINC000897604943 691674013 /nfs/dbraw/zinc/67/40/13/691674013.db2.gz CBXKPNLGDXOKHF-GXFFZTMASA-N 0 0 337.397 2.236 10 10 EECERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](C[C@@H]2CCCO2)C1=O ZINC000924714693 693261940 /nfs/dbraw/zinc/26/19/40/693261940.db2.gz CRVSYJICAMMPIM-KCXAZCMYSA-N 0 0 331.416 2.303 10 10 EECERN O=C(N[C@H]1CCN(C2CCC2)C1=O)c1cc2cc(O)c(O)cc2s1 ZINC000899154745 693635592 /nfs/dbraw/zinc/63/55/92/693635592.db2.gz QIPWLPFQVMXTMI-NSHDSACASA-N 0 0 346.408 2.196 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001648892275 1176755347 /nfs/dbraw/zinc/75/53/47/1176755347.db2.gz TYVSKZYMPWHMSV-GUOLPTJISA-N 0 0 325.368 2.037 10 10 EECERN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCNC(=O)CC1 ZINC000815135327 1197863364 /nfs/dbraw/zinc/86/33/64/1197863364.db2.gz NDZDEKOZVWKRDG-MRXNPFEDSA-N 0 0 329.444 2.209 10 10 EECERN COc1ccc(O)c(CNc2nc3ccccc3c(NCCO)n2)c1 ZINC000811806097 1200321603 /nfs/dbraw/zinc/32/16/03/1200321603.db2.gz JNLVPOQROPYVPE-UHFFFAOYSA-N 0 0 340.383 2.360 10 10 EECERN CC(=O)N1C[C@H](C(=O)N2Cc3cccc(O)c3C2)Oc2ccccc21 ZINC000871199265 1201095947 /nfs/dbraw/zinc/09/59/47/1201095947.db2.gz ULOZKVLZEDSSQC-GOSISDBHSA-N 0 0 338.363 2.049 10 10 EECERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203327 1201098365 /nfs/dbraw/zinc/09/83/65/1201098365.db2.gz XTRYJVHWLHCERK-QGZVFWFLSA-N 0 0 349.394 2.013 10 10 EECERN Cc1cn(CC(=O)N2Cc3cccc(O)c3C2)nc1C(F)(F)F ZINC000871206725 1201099236 /nfs/dbraw/zinc/09/92/36/1201099236.db2.gz CLWZEWLHOMGBLZ-UHFFFAOYSA-N 0 0 325.290 2.458 10 10 EECERN CCC[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001133626344 1201132426 /nfs/dbraw/zinc/13/24/26/1201132426.db2.gz HSYVNYRJTWEKKG-SJLPKXTDSA-N 0 0 343.471 2.441 10 10 EECERN O=C(CC1CSC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000866212851 1201467008 /nfs/dbraw/zinc/46/70/08/1201467008.db2.gz JQDULPAVSSEZBK-UHFFFAOYSA-N 0 0 338.448 2.156 10 10 EECERN CN1CCCc2cc(CNS(=O)(=O)CCOC(C)(C)C)ccc21 ZINC000866673836 1201576388 /nfs/dbraw/zinc/57/63/88/1201576388.db2.gz JNZQWYQFZODIMW-UHFFFAOYSA-N 0 0 340.489 2.304 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)CCOC(C)(C)C)cc1F ZINC000866671958 1201576553 /nfs/dbraw/zinc/57/65/53/1201576553.db2.gz DSQXIFCHCNTLMO-UHFFFAOYSA-N 0 0 332.441 2.126 10 10 EECERN COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC(C)(F)F)C2)cc1 ZINC000867496702 1201622463 /nfs/dbraw/zinc/62/24/63/1201622463.db2.gz HKQDRMTZFYCUJU-GFCCVEGCSA-N 0 0 348.415 2.239 10 10 EECERN C[C@@H](NC(=O)NCC(C)(C)C(=O)N1CCCC1)c1ccccc1O ZINC000868814764 1201885970 /nfs/dbraw/zinc/88/59/70/1201885970.db2.gz ISZJAOLUJFRNIH-CYBMUJFWSA-N 0 0 333.432 2.401 10 10 EECERN CC(C)(F)CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000868837831 1201890345 /nfs/dbraw/zinc/89/03/45/1201890345.db2.gz MMIZTBJABPBYJK-UHFFFAOYSA-N 0 0 337.439 2.443 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nnc([C@@H]2CCCO2)s1 ZINC001649171290 1202443524 /nfs/dbraw/zinc/44/35/24/1202443524.db2.gz YKLNRVDYYXQVDX-FUEXJSSKSA-N 0 0 333.369 2.453 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)NCc2cncc(O)c2)cc1 ZINC000927790620 1206304192 /nfs/dbraw/zinc/30/41/92/1206304192.db2.gz JLAGFEMXUDKPKJ-UHFFFAOYSA-N 0 0 344.415 2.074 10 10 EECERN O=C(NCc1c(O)cccc1F)c1nnn(C2CC2)c1C(F)(F)F ZINC000928705344 1206413602 /nfs/dbraw/zinc/41/36/02/1206413602.db2.gz JUNVJZQJHJGAGE-UHFFFAOYSA-N 0 0 344.268 2.407 10 10 EECERN C[C@H]1COCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000195347181 1211393785 /nfs/dbraw/zinc/39/37/85/1211393785.db2.gz KSGHESZGXWOSNE-MAUKXSAKSA-N 0 0 332.444 2.154 10 10 EECERN C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC(=O)N1C ZINC000800538017 1234283363 /nfs/dbraw/zinc/28/33/63/1234283363.db2.gz ITKBANHDIAYGGS-AWEZNQCLSA-N 0 0 346.431 2.248 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)OC[C@@H]2Cc3ccccc32)c1 ZINC000803305396 1240066209 /nfs/dbraw/zinc/06/62/09/1240066209.db2.gz LYISVJLYAQARIR-LBPRGKRZSA-N 0 0 347.392 2.260 10 10 EECERN O=C(c1cccn2nnnc12)N(Cc1ccco1)Cc1ccccc1O ZINC001137343530 1250238404 /nfs/dbraw/zinc/23/84/04/1250238404.db2.gz TUAFRJQGMAPAKU-UHFFFAOYSA-N 0 0 349.350 2.266 10 10 EECERN COC(=O)[C@@H](NCc1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000826985185 1248622102 /nfs/dbraw/zinc/62/21/02/1248622102.db2.gz DCLGNFBOSXBNTR-KRWDZBQOSA-N 0 0 331.368 2.413 10 10 EECERN C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000850351568 1277194276 /nfs/dbraw/zinc/19/42/76/1277194276.db2.gz CWRCKOKSSPTXCT-IUODEOHRSA-N 0 0 331.395 2.049 10 10 EECERN CCC[C@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000852361620 1292099447 /nfs/dbraw/zinc/09/94/47/1292099447.db2.gz FSSZDHOGLAOQPW-WMLDXEAASA-N 0 0 335.448 2.388 10 10 EECERN Nc1ccc(Cc2nc(C(=O)N[C@@H](CO)C3CCC3)cs2)cc1 ZINC000852903220 1292229046 /nfs/dbraw/zinc/22/90/46/1292229046.db2.gz WYGGSIYIUPLMES-AWEZNQCLSA-N 0 0 331.441 2.207 10 10 EECERN Cn1ncc2c1CC(C)(C)CN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 ZINC000852983924 1292248527 /nfs/dbraw/zinc/24/85/27/1292248527.db2.gz PEPPXEWGEQXSNG-ALCCZGGFSA-N 0 0 341.411 2.456 10 10 EECERN CC(C)NC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000853245172 1292339627 /nfs/dbraw/zinc/33/96/27/1292339627.db2.gz VAVAOGSZAFVBEH-INIZCTEOSA-N 0 0 346.475 2.199 10 10 EECERN Cc1cc(CC(=O)OCC2(CO)COC2)c(C)n1-c1ccccc1 ZINC000853933668 1292537877 /nfs/dbraw/zinc/53/78/77/1292537877.db2.gz HTDPIEZJVFVLRR-UHFFFAOYSA-N 0 0 329.396 2.189 10 10 EECERN CCC[C@](C)(O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301313 1292712513 /nfs/dbraw/zinc/71/25/13/1292712513.db2.gz NICGPLJXJBPWMF-KSSFIOAISA-N 0 0 335.448 2.124 10 10 EECERN Cc1cc(CC(=O)N[C@@]2(C)CCOC2=O)c(C)n1-c1ccccc1 ZINC000854528800 1292832532 /nfs/dbraw/zinc/83/25/32/1292832532.db2.gz AFLSKQLINWOZLW-IBGZPJMESA-N 0 0 326.396 2.458 10 10 EECERN CCCN(CC(N)=O)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854606836 1292882010 /nfs/dbraw/zinc/88/20/10/1292882010.db2.gz FHRUOAALARWDIT-UHFFFAOYSA-N 0 0 327.428 2.361 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](OC)C1 ZINC000854988221 1293022894 /nfs/dbraw/zinc/02/28/94/1293022894.db2.gz QMIPHRQVDKJKMT-ZFWWWQNUSA-N 0 0 335.400 2.099 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(Cl)nn3)C2)cc1 ZINC000855223350 1293116662 /nfs/dbraw/zinc/11/66/62/1293116662.db2.gz FWUMPFPWGPLILW-LLVKDONJSA-N 0 0 332.791 2.147 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000855223621 1293116855 /nfs/dbraw/zinc/11/68/55/1293116855.db2.gz HAQMLGDBQLWABH-RLFYNMQTSA-N 0 0 332.444 2.331 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)nc3OC)C2)cc1 ZINC000855224975 1293117929 /nfs/dbraw/zinc/11/79/29/1293117929.db2.gz HBUIWKBVMFNRDV-AWEZNQCLSA-N 0 0 341.411 2.416 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)/C=C/c3cncc(O)c3)C2)cc1 ZINC000855227866 1293119682 /nfs/dbraw/zinc/11/96/82/1293119682.db2.gz QQIZLKBOIATSEW-HYNJPGQWSA-N 0 0 339.395 2.204 10 10 EECERN CCc1nnsc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228620 1293121084 /nfs/dbraw/zinc/12/10/84/1293121084.db2.gz FKPLGJASQGCXBZ-NSHDSACASA-N 0 0 332.429 2.118 10 10 EECERN COC(=O)C1=CC[C@@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000858739701 1294208353 /nfs/dbraw/zinc/20/83/53/1294208353.db2.gz OQWKYIUKULITIA-ZYHUDNBSSA-N 0 0 334.372 2.023 10 10 EECERN COC(=O)[C@@H](CF)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000861728522 1295520850 /nfs/dbraw/zinc/52/08/50/1295520850.db2.gz JSCPCDQWAJFIIK-OAHLLOKOSA-N 0 0 346.358 2.148 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000862754480 1295952236 /nfs/dbraw/zinc/95/22/36/1295952236.db2.gz ZFJNMOMFHAVNBY-OLZOCXBDSA-N 0 0 347.333 2.301 10 10 EECERN Cc1cc(C(=O)N[C@H]2COCCC2=O)c(C)n1-c1ccccc1C ZINC000862932964 1296026997 /nfs/dbraw/zinc/02/69/97/1296026997.db2.gz XEECAVMEBVJREF-INIZCTEOSA-N 0 0 326.396 2.490 10 10 EECERN Cn1nc(CNC(=O)NCc2c(O)cccc2F)c2ccccc21 ZINC001233891252 1304629985 /nfs/dbraw/zinc/62/99/85/1304629985.db2.gz MHSWGSMQGKZCPJ-UHFFFAOYSA-N 0 0 328.347 2.417 10 10 EECERN CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC001118625461 1308904001 /nfs/dbraw/zinc/90/40/01/1308904001.db2.gz IRLNGTFCGZREHU-SFHVURJKSA-N 0 0 341.455 2.230 10 10 EECERN CCOc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC001118772122 1308940861 /nfs/dbraw/zinc/94/08/61/1308940861.db2.gz WNSREGVZIPLLAK-OAHLLOKOSA-N 0 0 341.411 2.498 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)[C@H]1CCOC1 ZINC001137913883 1314516535 /nfs/dbraw/zinc/51/65/35/1314516535.db2.gz JQSIWHLSWDQVHF-KBPBESRZSA-N 0 0 334.441 2.283 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)[C@@H]1CCOC1 ZINC001137913886 1314516647 /nfs/dbraw/zinc/51/66/47/1314516647.db2.gz JQSIWHLSWDQVHF-ZIAGYGMSSA-N 0 0 334.441 2.283 10 10 EECERN CC[C@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000838485967 1315169586 /nfs/dbraw/zinc/16/95/86/1315169586.db2.gz KXKFRSNALHEFNI-AEFFLSMTSA-N 0 0 329.444 2.365 10 10 EECERN C[C@H](O)[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000840979811 1315450532 /nfs/dbraw/zinc/45/05/32/1315450532.db2.gz UUJWENZSWNUFQI-XHDPSFHLSA-N 0 0 332.366 2.353 10 10 EECERN C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000841064083 1315466113 /nfs/dbraw/zinc/46/61/13/1315466113.db2.gz PAJWZFUFBOAANI-PEBVRCNWSA-N 0 0 339.395 2.277 10 10 EECERN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841113373 1315478761 /nfs/dbraw/zinc/47/87/61/1315478761.db2.gz FAILRMRTVLSDRU-SKDRFNHKSA-N 0 0 329.322 2.397 10 10 EECERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841836954 1315620325 /nfs/dbraw/zinc/62/03/25/1315620325.db2.gz BWDMNIAHUDPDMG-GFCCVEGCSA-N 0 0 329.448 2.092 10 10 EECERN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841961214 1315644933 /nfs/dbraw/zinc/64/49/33/1315644933.db2.gz CCZGNHZZQYDBEY-GWCFXTLKSA-N 0 0 331.338 2.173 10 10 EECERN CC1(C)COC[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842258705 1315680296 /nfs/dbraw/zinc/68/02/96/1315680296.db2.gz QYJBDNGGLVBLOB-ZDUSSCGKSA-N 0 0 338.791 2.235 10 10 EECERN O=C(NCc1nncn1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC001293091074 1328603285 /nfs/dbraw/zinc/60/32/85/1328603285.db2.gz OHSDHMZOAAGBHS-UHFFFAOYSA-N 0 0 330.369 2.169 10 10 EECERN CCn1c(=O)[nH]c2cc(C(=O)NCc3c(O)cccc3O)ccc21 ZINC001156885491 1318264357 /nfs/dbraw/zinc/26/43/57/1318264357.db2.gz HEWPIJHCZVKLOL-UHFFFAOYSA-N 0 0 327.340 2.103 10 10 EECERN Nc1c(Cl)cc(C(=O)NCc2ccc(O)cc2O)cc1[N+](=O)[O-] ZINC001162277944 1320803329 /nfs/dbraw/zinc/80/33/29/1320803329.db2.gz DTICFSMYAJRJNS-UHFFFAOYSA-N 0 0 337.719 2.172 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CCO)c1ccccc1F ZINC001163033699 1321019950 /nfs/dbraw/zinc/01/99/50/1321019950.db2.gz SHBQRLKMJGWYNI-DDJMYBDESA-N 0 0 331.343 2.490 10 10 EECERN CC[C@H](c1ccncc1)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001261860226 1322188754 /nfs/dbraw/zinc/18/87/54/1322188754.db2.gz RIGXRRSWBIHUMA-MRXNPFEDSA-N 0 0 339.395 2.239 10 10 EECERN CC/C(C)=C\C(=O)NCC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001295848558 1329848958 /nfs/dbraw/zinc/84/89/58/1329848958.db2.gz FUTZXYGFJMHNRD-KIWPFMIBSA-N 0 0 349.431 2.080 10 10 EECERN Cc1conc1CN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001491690865 1330207418 /nfs/dbraw/zinc/20/74/18/1330207418.db2.gz DBTDMRCQEBFMCJ-LLVKDONJSA-N 0 0 344.375 2.054 10 10 EECERN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1O ZINC001304053627 1331375381 /nfs/dbraw/zinc/37/53/81/1331375381.db2.gz PSOIMQDLHDCUEQ-LLVKDONJSA-N 0 0 338.404 2.217 10 10 EECERN C[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)[C@@H]1CC2CCC1CC2 ZINC001328807940 1334526166 /nfs/dbraw/zinc/52/61/66/1334526166.db2.gz OZFASZSAGUPMAJ-VTCYXGNWSA-N 0 0 343.471 2.259 10 10 EECERN CN(C)c1cc(F)c(C[NH2+]C[C@]2(C(=O)[O-])CCCOC2)cc1F ZINC001329309712 1334624785 /nfs/dbraw/zinc/62/47/85/1334624785.db2.gz BVJKGJKNZLNBLP-MRXNPFEDSA-N 0 0 328.359 2.002 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC001333195679 1335981131 /nfs/dbraw/zinc/98/11/31/1335981131.db2.gz WZEXZYSSWDZCBA-BQFCYCMXSA-N 0 0 343.471 2.263 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NCC2(CC3CC3)CC2)cc1 ZINC001333759837 1336125301 /nfs/dbraw/zinc/12/53/01/1336125301.db2.gz ILDANSQGKKFLFQ-UHFFFAOYSA-N 0 0 329.444 2.065 10 10 EECERN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001337358592 1336689806 /nfs/dbraw/zinc/68/98/06/1336689806.db2.gz PMLDXJBQBQFKKG-UHIISALHSA-N 0 0 345.403 2.082 10 10 EECERN CC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001611071694 1352294224 /nfs/dbraw/zinc/29/42/24/1352294224.db2.gz YMSJOLGGEULXIM-YHWKNFMLSA-N 0 0 325.364 2.428 10 10 EECERN O=C(N[C@H]1COc2c(F)cc(F)cc2C1)c1c(F)ccc(O)c1O ZINC001611695430 1352303694 /nfs/dbraw/zinc/30/36/94/1352303694.db2.gz FLIZMDJNBCJVGU-SECBINFHSA-N 0 0 339.269 2.249 10 10 EECERN CC(C)c1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1C ZINC001556071629 1342421810 /nfs/dbraw/zinc/42/18/10/1342421810.db2.gz QATWUMFURIACRH-UHFFFAOYSA-N 0 0 346.412 2.494 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2c(N)ncnc2c1 ZINC001556515686 1342430003 /nfs/dbraw/zinc/43/00/03/1342430003.db2.gz ICPUBDLEWQNHIZ-UHFFFAOYSA-N 0 0 343.383 2.333 10 10 EECERN O=C(c1coc(Sc2ncccn2)n1)N1Cc2cccc(O)c2C1 ZINC001587928086 1348875083 /nfs/dbraw/zinc/87/50/83/1348875083.db2.gz JIORDVWFMOREIM-UHFFFAOYSA-N 0 0 340.364 2.477 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001678219462 1357485382 /nfs/dbraw/zinc/48/53/82/1357485382.db2.gz USOMSBKBNWDDKW-WDMOLILDSA-N 0 0 345.403 2.082 10 10 EECERN CCC/C=C/[C@@H](O)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001596733175 1349911618 /nfs/dbraw/zinc/91/16/18/1349911618.db2.gz MJSPUTMNFAHFDC-IPLHWJFFSA-N 0 0 332.444 2.451 10 10 EECERN CCn1ncc(C(=O)NCc2c(O)cccc2O)c1Br ZINC001597573776 1349927988 /nfs/dbraw/zinc/92/79/88/1349927988.db2.gz GDGMGWKLGOGUDG-UHFFFAOYSA-N 0 0 340.177 2.007 10 10 EECERN C[C@H](NC(=O)c1nc(-c2cnccn2)no1)c1ccc(N(C)C)cc1 ZINC001625543089 1352451264 /nfs/dbraw/zinc/45/12/64/1352451264.db2.gz CENWKYOTQDBWMW-NSHDSACASA-N 0 0 338.371 2.084 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)OCc1ccncc1 ZINC001627029033 1352481005 /nfs/dbraw/zinc/48/10/05/1352481005.db2.gz UUVWUFLNFMJIFD-CYBMUJFWSA-N 0 0 335.400 2.494 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cc(Br)n[nH]2)cc1F ZINC001631438582 1352583812 /nfs/dbraw/zinc/58/38/12/1352583812.db2.gz WMAWYSMOTJEJOJ-UHFFFAOYSA-N 0 0 341.184 2.307 10 10 EECERN COC(=O)c1coc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001632680804 1352600812 /nfs/dbraw/zinc/60/08/12/1352600812.db2.gz FUKIBVITXAQPEI-MALLOTDXSA-N 0 0 345.351 2.238 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3[nH]c(=O)[nH]c32)c1 ZINC001636060997 1352657419 /nfs/dbraw/zinc/65/74/19/1352657419.db2.gz BFSQRJLZLHDZRH-SECBINFHSA-N 0 0 327.340 2.474 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC001636058832 1352657563 /nfs/dbraw/zinc/65/75/63/1352657563.db2.gz SMVOJBCNGMNSPR-UHFFFAOYSA-N 0 0 339.348 2.002 10 10 EECERN O=C(c1ccnc(CO)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001636950681 1352669635 /nfs/dbraw/zinc/66/96/35/1352669635.db2.gz HBJOVXOVPXRPBV-KRWDZBQOSA-N 0 0 342.395 2.101 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cccc(-n2cccn2)n1 ZINC001638573074 1352689801 /nfs/dbraw/zinc/68/98/01/1352689801.db2.gz IGSVVCQRNFNONY-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN COC(=O)[C@]1(C(=O)NCc2cc(O)ccc2O)C[C@H]1c1ccccc1 ZINC001643884970 1352755018 /nfs/dbraw/zinc/75/50/18/1352755018.db2.gz DBXAHEMWMYWFCT-HNAYVOBHSA-N 0 0 341.363 2.061 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(CN2CCCC2=O)cc1 ZINC001647178862 1353176566 /nfs/dbraw/zinc/17/65/66/1353176566.db2.gz VGHNUTIMGYNARS-UHFFFAOYSA-N 0 0 340.379 2.150 10 10 EECERN NC(=O)N[C@@H](CC(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001648606368 1353436186 /nfs/dbraw/zinc/43/61/86/1353436186.db2.gz PJGKGRFGXZSJGW-AWEZNQCLSA-N 0 0 347.802 2.462 10 10 EECERN COc1ccc(O[C@H](C)CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001650845336 1354031186 /nfs/dbraw/zinc/03/11/86/1354031186.db2.gz FFOKHBGQTUDRSH-SNVBAGLBSA-N 0 0 335.331 2.443 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cc2c([nH]c1=O)CCCC2=O ZINC001652295961 1354085702 /nfs/dbraw/zinc/08/57/02/1354085702.db2.gz XQVIQWDAYVTKIC-UHFFFAOYSA-N 0 0 330.315 2.081 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)c1cc(F)ccc1F ZINC001653742447 1354131610 /nfs/dbraw/zinc/13/16/10/1354131610.db2.gz YWYDOGKHBNLEKQ-OKEUPSHZSA-N 0 0 335.306 2.239 10 10 EECERN COC(OC)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001684869521 1358288278 /nfs/dbraw/zinc/28/82/78/1358288278.db2.gz PJLBGAWDYZAFHQ-CQSZACIVSA-N 0 0 335.448 2.436 10 10 EECERN C[C@H](NC(=O)C(=O)N1CCC12CCCC2)c1ccc(N(C)C)cc1 ZINC000846731118 790474497 /nfs/dbraw/zinc/47/44/97/790474497.db2.gz CCOCEVTZXCPOFE-AWEZNQCLSA-N 0 0 329.444 2.475 10 10 EECERN CCCC(=O)N1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000940054307 777960074 /nfs/dbraw/zinc/96/00/74/777960074.db2.gz ROCFAHAFSGOBKJ-UHFFFAOYSA-N 0 0 345.403 2.324 10 10 EECERN CNC(=O)[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000817284631 784627877 /nfs/dbraw/zinc/62/78/77/784627877.db2.gz ZQYZRNLBSWGADF-MRXNPFEDSA-N 0 0 339.439 2.345 10 10 EECERN C[C@H](NC(=O)c1cc2c([nH]c1=O)CCOC2)c1ccc(N(C)C)cc1 ZINC000907491167 784673098 /nfs/dbraw/zinc/67/30/98/784673098.db2.gz BYKHBWMMHBLYEE-LBPRGKRZSA-N 0 0 341.411 2.417 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCOCC1 ZINC000819698811 785646455 /nfs/dbraw/zinc/64/64/55/785646455.db2.gz SPFXAJOOMPEYSB-CQSZACIVSA-N 0 0 335.400 2.101 10 10 EECERN COc1ccc(N2CC[C@H](CNc3ccncc3[N+](=O)[O-])C2)cc1 ZINC000819934930 785731447 /nfs/dbraw/zinc/73/14/47/785731447.db2.gz IOPLEJCMJAZNSF-CYBMUJFWSA-N 0 0 328.372 2.359 10 10 EECERN C[C@H]1Cc2ccccc2N1CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001136486495 786854886 /nfs/dbraw/zinc/85/48/86/786854886.db2.gz JPFSDZUZIYGAOL-ZDUSSCGKSA-N 0 0 326.396 2.208 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnnc3C)C2)cc1 ZINC000822584938 787304218 /nfs/dbraw/zinc/30/42/18/787304218.db2.gz PNZBGQHYFIXHHP-CYBMUJFWSA-N 0 0 327.388 2.194 10 10 EECERN O=C(c1cccc(O)c1O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC001136645325 787458996 /nfs/dbraw/zinc/45/89/96/787458996.db2.gz DGCWRIBFBUNWGV-CQSZACIVSA-N 0 0 328.368 2.314 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C[C@H](O)c1ccc(F)cn1 ZINC000823576575 787805573 /nfs/dbraw/zinc/80/55/73/787805573.db2.gz SXBYJMCMNLZOEC-KRWDZBQOSA-N 0 0 348.374 2.025 10 10 EECERN C[C@H]1CC[C@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000805863330 788156835 /nfs/dbraw/zinc/15/68/35/788156835.db2.gz AHTGKSAMUTWGSK-KBXCAEBGSA-N 0 0 331.460 2.493 10 10 EECERN CN(Cc1cn(C2CCC2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000824535673 788207010 /nfs/dbraw/zinc/20/70/10/788207010.db2.gz SZQCLHPTYJDIHC-UHFFFAOYSA-N 0 0 341.459 2.472 10 10 EECERN COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1O ZINC000825202193 788497078 /nfs/dbraw/zinc/49/70/78/788497078.db2.gz PRXSNNPAEXWRIR-TZMCWYRMSA-N 0 0 345.848 2.206 10 10 EECERN CCn1ccc(CC(=O)NCc2cc(Br)ccc2O)n1 ZINC000846138623 790072659 /nfs/dbraw/zinc/07/26/59/790072659.db2.gz DYRYJRHGOIZTIX-UHFFFAOYSA-N 0 0 338.205 2.230 10 10 EECERN CN(Cc1ccccc1O)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154389394 798212349 /nfs/dbraw/zinc/21/23/49/798212349.db2.gz TWSRNDPMFGYWQN-UHFFFAOYSA-N 0 0 336.369 2.262 10 10 EECERN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1cccc(O)c1O ZINC001176564747 798498210 /nfs/dbraw/zinc/49/82/10/798498210.db2.gz DQKUYAPVHGULMW-LBPRGKRZSA-N 0 0 338.363 2.229 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001176748558 798547476 /nfs/dbraw/zinc/54/74/76/798547476.db2.gz WRJFWJLFABPNOY-CVEARBPZSA-N 0 0 346.427 2.143 10 10 EECERN COc1cccc(CCNC(=O)c2c(F)ccc(O)c2O)c1OC ZINC001182413225 801168537 /nfs/dbraw/zinc/16/85/37/801168537.db2.gz MEVXZWILUXJEDD-UHFFFAOYSA-N 0 0 335.331 2.227 10 10 EECERN NC(=O)c1ncccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000787248409 807052827 /nfs/dbraw/zinc/05/28/27/807052827.db2.gz QYGIMZQBRJWDQM-UHFFFAOYSA-N 0 0 338.411 2.101 10 10 EECERN COC(=O)[C@H]1[C@@H](CN2CCOc3cc(N(C)C)ccc32)C1(F)F ZINC000787778530 807232737 /nfs/dbraw/zinc/23/27/37/807232737.db2.gz WBFSONKVULOSQJ-BXUZGUMPSA-N 0 0 326.343 2.006 10 10 EECERN C[C@@H]1C[C@@H](C)N1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000792045929 809575477 /nfs/dbraw/zinc/57/54/77/809575477.db2.gz VYUAAVZAJTXLEQ-IIAWOOMASA-N 0 0 344.459 2.081 10 10 EECERN C[C@]1(CNC(=O)NCc2cc(Br)ccc2O)CCOC1 ZINC000805111104 811138840 /nfs/dbraw/zinc/13/88/40/811138840.db2.gz PQDWSONBBFZQIH-CQSZACIVSA-N 0 0 343.221 2.381 10 10 EECERN C[C@H](OCC(=O)NCc1ccc2c(c1)CCCN2C)c1nccn1C ZINC000805171519 811170225 /nfs/dbraw/zinc/17/02/25/811170225.db2.gz NDJQKKBLVMGAFY-AWEZNQCLSA-N 0 0 342.443 2.197 10 10 EECERN CC(=O)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000808009953 812413484 /nfs/dbraw/zinc/41/34/84/812413484.db2.gz DBKJVCDOBUYWHE-UHFFFAOYSA-N 0 0 345.211 2.216 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000808499391 812667930 /nfs/dbraw/zinc/66/79/30/812667930.db2.gz VRTWEEHXJOGTTH-LLVKDONJSA-N 0 0 348.355 2.146 10 10 EECERN COc1cccc(CNC(=O)c2cccnc2-c2cnn(C)c2)c1O ZINC001566374077 1125598113 /nfs/dbraw/zinc/59/81/13/1125598113.db2.gz SKDKIMHRYONMLQ-UHFFFAOYSA-N 0 0 338.367 2.126 10 10 EECERN O=C(NCc1ccccc1O)c1cnn2c1nccc2-c1cccnc1 ZINC001445967702 1091922039 /nfs/dbraw/zinc/92/20/39/1091922039.db2.gz DEQODIVPSKNLSU-UHFFFAOYSA-N 0 0 345.362 2.427 10 10 EECERN O=C(/C=C/c1cncc(O)c1)N1C[C@H](CO)Cc2cccc(F)c21 ZINC001452683906 1105641743 /nfs/dbraw/zinc/64/17/43/1105641743.db2.gz FCBLQXOWZYELAE-MUBLQREKSA-N 0 0 328.343 2.137 10 10 EECERN C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1O ZINC001454804189 1107686672 /nfs/dbraw/zinc/68/66/72/1107686672.db2.gz HYVPCONNJDMCOD-CYBMUJFWSA-N 0 0 337.379 2.370 10 10 EECERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc(O)cc1O ZINC001469160945 1110486181 /nfs/dbraw/zinc/48/61/81/1110486181.db2.gz WUAJDVUQNZEBFE-UHFFFAOYSA-N 0 0 331.328 2.124 10 10 EECERN CCn1ncnc1-c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC001469160160 1110486194 /nfs/dbraw/zinc/48/61/94/1110486194.db2.gz CSDVYGXDAITAJG-UHFFFAOYSA-N 0 0 338.367 2.306 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cccc(NC(=O)C2CC2)c1 ZINC001469161370 1110486221 /nfs/dbraw/zinc/48/62/21/1110486221.db2.gz ZBKSVSLTXHQPOF-UHFFFAOYSA-N 0 0 326.352 2.376 10 10 EECERN COC(=O)[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCCC(C)(C)C1 ZINC001470234517 1110503412 /nfs/dbraw/zinc/50/34/12/1110503412.db2.gz SGNOFQMSLHQFCI-GOSISDBHSA-N 0 0 335.400 2.269 10 10 EECERN O=C(CSc1nc2ccccc2[nH]1)NCc1cc(O)ccc1O ZINC001471661205 1110527785 /nfs/dbraw/zinc/52/77/85/1110527785.db2.gz JPDVZRWXDZLDMB-UHFFFAOYSA-N 0 0 329.381 2.383 10 10 EECERN COC[C@@H](Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O)OC ZINC001504588503 1113915586 /nfs/dbraw/zinc/91/55/86/1113915586.db2.gz IXZCHDVMKSHFAP-OAHLLOKOSA-N 0 0 346.431 2.159 10 10 EECERN CCc1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001513946171 1118755691 /nfs/dbraw/zinc/75/56/91/1118755691.db2.gz ZWSREMGASOMXAC-HNNXBMFYSA-N 0 0 343.475 2.488 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001526324998 1120502028 /nfs/dbraw/zinc/50/20/28/1120502028.db2.gz VUKAVWWPQAYVFG-CVEARBPZSA-N 0 0 331.460 2.391 10 10 EECERN COc1cccc(CNC(=O)NC[C@H]2OCc3ccccc32)c1O ZINC001528267027 1120977766 /nfs/dbraw/zinc/97/77/66/1120977766.db2.gz IWJQVLRJUFNQOO-MRXNPFEDSA-N 0 0 328.368 2.472 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cn(C2CC2)nn1 ZINC001531706012 1122515618 /nfs/dbraw/zinc/51/56/18/1122515618.db2.gz PUBDSWDHXIEPOQ-UHFFFAOYSA-N 0 0 325.416 2.485 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C(=O)NC2CC2)CC1 ZINC001539467845 1124057894 /nfs/dbraw/zinc/05/78/94/1124057894.db2.gz FZFVGGXFZRMHNY-UHFFFAOYSA-N 0 0 341.455 2.304 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)c2cccc(F)c2)cc1 ZINC001545585316 1124197677 /nfs/dbraw/zinc/19/76/77/1124197677.db2.gz SBMSVORZSLQJSI-AWEZNQCLSA-N 0 0 330.319 2.452 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)Cc1nc[nH]n1 ZINC001568154815 1124330354 /nfs/dbraw/zinc/33/03/54/1124330354.db2.gz STAIEGNIAMOKTL-UHFFFAOYSA-N 0 0 337.383 2.297 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)C1(N2CCOCC2)CCC1 ZINC000371702316 238269182 /nfs/dbraw/zinc/26/91/82/238269182.db2.gz DAMIEJVTOYZMQC-UHFFFAOYSA-N 0 0 344.455 2.142 10 10 EECERN O=C1/C(=C\c2ccccc2)SC(=S)N1CCN1CCOCC1 ZINC000096935890 284779622 /nfs/dbraw/zinc/77/96/22/284779622.db2.gz YAVCUDSVKODAAT-WYMLVPIESA-N 0 0 334.466 2.220 10 10 EECERN COC(=O)[C@H](CF)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000292648216 533268193 /nfs/dbraw/zinc/26/81/93/533268193.db2.gz QBXHMNMUUWEECO-INIZCTEOSA-N 0 0 348.374 2.344 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000066699429 462922264 /nfs/dbraw/zinc/92/22/64/462922264.db2.gz ILUWDERGNSKJTQ-HNNXBMFYSA-N 0 0 335.448 2.035 10 10 EECERN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nnc2n1CCCC2 ZINC000078880174 463158500 /nfs/dbraw/zinc/15/85/00/463158500.db2.gz AWQOVQNXMRLPFT-OAHLLOKOSA-N 0 0 341.459 2.302 10 10 EECERN COc1nnc(NC(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000282955138 463714268 /nfs/dbraw/zinc/71/42/68/463714268.db2.gz XZWVZVNHTMVWHU-UHFFFAOYSA-N 0 0 334.401 2.453 10 10 EECERN COc1ccc(N2CCN(Cc3nnc(C4CC4)n3C)CC2)cc1F ZINC000177710815 463772564 /nfs/dbraw/zinc/77/25/64/463772564.db2.gz AKXGERHPMBPOAC-UHFFFAOYSA-N 0 0 345.422 2.162 10 10 EECERN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCCOC1 ZINC000277362199 463913641 /nfs/dbraw/zinc/91/36/41/463913641.db2.gz HCDFKAXTRJEBJX-SNVBAGLBSA-N 0 0 329.194 2.133 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000186407970 463993862 /nfs/dbraw/zinc/99/38/62/463993862.db2.gz AFFMPURJMTZGKS-YPMHNXCESA-N 0 0 347.440 2.271 10 10 EECERN Nc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1 ZINC000179043761 464042900 /nfs/dbraw/zinc/04/29/00/464042900.db2.gz BWNHATKFWCRUHM-SFHVURJKSA-N 0 0 337.423 2.232 10 10 EECERN COc1cc(Cl)cc(CN2CCO[C@H](Cn3cccn3)C2)c1O ZINC000184690799 465018784 /nfs/dbraw/zinc/01/87/84/465018784.db2.gz XRVYULXJSLSCGX-AWEZNQCLSA-N 0 0 337.807 2.152 10 10 EECERN Cc1cc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)c(C)n1-c1ccccn1 ZINC000371282013 465684926 /nfs/dbraw/zinc/68/49/26/465684926.db2.gz XOWNMCNKRQGQKX-CQSZACIVSA-N 0 0 335.411 2.500 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](O)Cc1ccccc1 ZINC000362868871 466086293 /nfs/dbraw/zinc/08/62/93/466086293.db2.gz REWYSADFGJDUPO-QGZVFWFLSA-N 0 0 340.423 2.472 10 10 EECERN CS(=O)(=O)c1cccnc1NCc1ccc(N2CC=CC2)cc1 ZINC000302742405 466177341 /nfs/dbraw/zinc/17/73/41/466177341.db2.gz RABUEVUTMANJLK-UHFFFAOYSA-N 0 0 329.425 2.473 10 10 EECERN Cc1cncn1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000528881462 467771918 /nfs/dbraw/zinc/77/19/18/467771918.db2.gz HORSHNAABMFJEX-INIZCTEOSA-N 0 0 329.400 2.105 10 10 EECERN COCCCn1cc(C(=O)NCc2ccc3cccnc3c2O)cn1 ZINC000529500332 467871917 /nfs/dbraw/zinc/87/19/17/467871917.db2.gz FMFUBRGOMAYSHN-UHFFFAOYSA-N 0 0 340.383 2.103 10 10 EECERN O=C(NCCCNC(=O)c1ccccc1)NCc1ccccc1O ZINC000726251386 576248734 /nfs/dbraw/zinc/24/87/34/576248734.db2.gz WLWZXEJEKJILNP-UHFFFAOYSA-N 0 0 327.384 2.012 10 10 EECERN CCS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccccc2O)cc1 ZINC000728306089 576489669 /nfs/dbraw/zinc/48/96/69/576489669.db2.gz HMWCAIGCAHAKCH-UHFFFAOYSA-N 0 0 347.436 2.387 10 10 EECERN C[C@@H]1CN(c2ccc(CNC(=O)C3=CC(=O)CS3)cn2)C[C@@H](C)O1 ZINC000731869451 577131181 /nfs/dbraw/zinc/13/11/81/577131181.db2.gz IBXHCMWXORFQCF-VXGBXAGGSA-N 0 0 347.440 2.392 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccccc2OC)c1 ZINC000731975464 577140028 /nfs/dbraw/zinc/14/00/28/577140028.db2.gz BMGJUHYOHXQZLP-CMDGGOBGSA-N 0 0 325.368 2.126 10 10 EECERN COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1CO ZINC000774930317 577423597 /nfs/dbraw/zinc/42/35/97/577423597.db2.gz HHUGNIBUPYUDMJ-UHFFFAOYSA-N 0 0 334.328 2.422 10 10 EECERN C[C@@H](NC(=O)NC1CCC(C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000776157226 577453352 /nfs/dbraw/zinc/45/33/52/577453352.db2.gz QZMKTXMVTDZCPA-LRVUVFPRSA-N 0 0 332.448 2.157 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3ccnnc3C)CC2)cc1 ZINC000776494007 577460928 /nfs/dbraw/zinc/46/09/28/577460928.db2.gz SOOOWMMHFWTQLC-UHFFFAOYSA-N 0 0 327.388 2.148 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C)cnc2N)cc1 ZINC000766773976 577524680 /nfs/dbraw/zinc/52/46/80/577524680.db2.gz BLQVPBHJCYETQF-UHFFFAOYSA-N 0 0 348.472 2.297 10 10 EECERN C[C@@H](NC(=O)COC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000758574059 577627543 /nfs/dbraw/zinc/62/75/43/577627543.db2.gz ZJAHSJABZGWQSE-SNVBAGLBSA-N 0 0 333.315 2.271 10 10 EECERN CC=CC[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000761091867 577676404 /nfs/dbraw/zinc/67/64/04/577676404.db2.gz PCNKLVJXLOGHIN-GWQWAINWSA-N 0 0 347.390 2.049 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC000735490144 578155409 /nfs/dbraw/zinc/15/54/09/578155409.db2.gz NOISGVZPXIXYRM-XQRVVYSFSA-N 0 0 328.328 2.207 10 10 EECERN O=C(NCc1cc(Br)ccc1O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000804735550 675609676 /nfs/dbraw/zinc/60/96/76/675609676.db2.gz DKDDYCJYJILOGU-UHTWSYAYSA-N 0 0 326.190 2.196 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1c[nH]c(=S)[nH]1 ZINC000804738551 675611616 /nfs/dbraw/zinc/61/16/16/675611616.db2.gz UNZPFIDOPHWCIR-UHFFFAOYSA-N 0 0 328.191 2.097 10 10 EECERN COCCCOC1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896828883 685316561 /nfs/dbraw/zinc/31/65/61/685316561.db2.gz WAJVCIJBAUMXTK-UHFFFAOYSA-N 0 0 337.397 2.190 10 10 EECERN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000894889636 683332832 /nfs/dbraw/zinc/33/28/32/683332832.db2.gz TXAXZKGWWXFTLM-GFCCVEGCSA-N 0 0 340.139 2.496 10 10 EECERN Cc1c(NC(=O)C(=O)N(C)Cc2ccccc2O)cccc1N(C)C ZINC000180475370 684025377 /nfs/dbraw/zinc/02/53/77/684025377.db2.gz RGMRMCUBLWHOCR-UHFFFAOYSA-N 0 0 341.411 2.364 10 10 EECERN CC(=O)N1CC[C@H](CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897201836 686238684 /nfs/dbraw/zinc/23/86/84/686238684.db2.gz MPCICNPWLDTBKH-LLVKDONJSA-N 0 0 348.424 2.253 10 10 EECERN Cc1noc(C2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)n1 ZINC000897574771 691631296 /nfs/dbraw/zinc/63/12/96/691631296.db2.gz GHBLCPLPGZHZJB-UHFFFAOYSA-N 0 0 331.353 2.244 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@H](C(F)F)C1 ZINC000897678075 691739556 /nfs/dbraw/zinc/73/95/56/691739556.db2.gz DNOPGAVFWBMSMF-SNVBAGLBSA-N 0 0 329.324 2.419 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](O)C(F)(F)C1 ZINC000898670805 693415283 /nfs/dbraw/zinc/41/52/83/693415283.db2.gz NEYZBPZFWUTFMT-GFCCVEGCSA-N 0 0 329.324 2.155 10 10 EECERN CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCCN(C)C1=O ZINC000899163717 693637924 /nfs/dbraw/zinc/63/79/24/693637924.db2.gz JBINJAOLQNXKIN-LLVKDONJSA-N 0 0 348.424 2.395 10 10 EECERN CCn1ncc(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001687148664 1176201848 /nfs/dbraw/zinc/20/18/48/1176201848.db2.gz AGJDPBDGXHJCAH-UHFFFAOYSA-N 0 0 342.447 2.240 10 10 EECERN CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1cncs1 ZINC001267233281 1178560561 /nfs/dbraw/zinc/56/05/61/1178560561.db2.gz LFYBIXGPUSMRGW-UHFFFAOYSA-N 0 0 346.416 2.167 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)N(CCOC)c2ccccc2)c1 ZINC001272740967 1192977929 /nfs/dbraw/zinc/97/79/29/1192977929.db2.gz YEFNDJPKBGRSFT-HJWRWDBZSA-N 0 0 339.395 2.134 10 10 EECERN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841978089 1188213739 /nfs/dbraw/zinc/21/37/39/1188213739.db2.gz UKANWEKXZHVBPC-PRHODGIISA-N 0 0 332.231 2.496 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1COCCOC1 ZINC000813817110 1199176920 /nfs/dbraw/zinc/17/69/20/1199176920.db2.gz ZCSQPINBAYRDPN-UHFFFAOYSA-N 0 0 335.448 2.088 10 10 EECERN Cc1c(NC(=O)C2=CC(=O)CS2)cccc1N1C(=O)N[C@H](C)C1=O ZINC000811535991 1200111397 /nfs/dbraw/zinc/11/13/97/1200111397.db2.gz AYABHSUCOBQNPE-SECBINFHSA-N 0 0 345.380 2.459 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000869792536 1200283174 /nfs/dbraw/zinc/28/31/74/1200283174.db2.gz NAXGWZLAOLLKMP-WFASDCNBSA-N 0 0 339.185 2.428 10 10 EECERN COc1ccc(N2CCN(C(=O)C3(C(F)F)CC3)CC2)c(OC)c1 ZINC000870166963 1200531472 /nfs/dbraw/zinc/53/14/72/1200531472.db2.gz ZBOJIAZQMGEFQG-UHFFFAOYSA-N 0 0 340.370 2.398 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]3CCNC(=O)[C@@H]32)c1O ZINC000880525636 1201512775 /nfs/dbraw/zinc/51/27/75/1201512775.db2.gz GWEDMKASIPPTQM-IAQYHMDHSA-N 0 0 336.819 2.349 10 10 EECERN CC1(C)CNC(=O)c2c(C(=O)NCc3ccccc3O)coc2C1 ZINC000866754663 1201597703 /nfs/dbraw/zinc/59/77/03/1201597703.db2.gz BXCJMAQOWDMTDH-UHFFFAOYSA-N 0 0 328.368 2.227 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\COC2CCOCC2)c1 ZINC000866763486 1201600244 /nfs/dbraw/zinc/60/02/44/1201600244.db2.gz DWXQAXCKRRQPRT-DHCBQETCSA-N 0 0 335.400 2.330 10 10 EECERN Cn1ccc([C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)n1 ZINC000928192169 1206357606 /nfs/dbraw/zinc/35/76/06/1206357606.db2.gz IKTMGZWEBJDGKN-DYLGSBMWSA-N 0 0 327.384 2.251 10 10 EECERN COc1nnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000929970829 1206523549 /nfs/dbraw/zinc/52/35/49/1206523549.db2.gz LEAJXABURLLKBH-ZDUSSCGKSA-N 0 0 335.429 2.434 10 10 EECERN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)Cc2c[nH]nc21 ZINC000931454640 1207385183 /nfs/dbraw/zinc/38/51/83/1207385183.db2.gz ZBBNBWZXZWLACW-CQSZACIVSA-N 0 0 341.459 2.053 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]Cc2cc(C(N)=O)co2)c1 ZINC000778202176 1207851985 /nfs/dbraw/zinc/85/19/85/1207851985.db2.gz PIKFMBYZFWVPCT-UHFFFAOYSA-N 0 0 339.189 2.445 10 10 EECERN COc1ccc(CNc2nc3ccccc3c(NCCO)n2)c(O)c1 ZINC000795284979 1212429777 /nfs/dbraw/zinc/42/97/77/1212429777.db2.gz OVJHNOCLNWVABK-UHFFFAOYSA-N 0 0 340.383 2.360 10 10 EECERN C[C@H](Oc1cccc(CO)c1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000305295351 1216165899 /nfs/dbraw/zinc/16/58/99/1216165899.db2.gz GGSGPYGEUMEGOM-AWEZNQCLSA-N 0 0 328.412 2.329 10 10 EECERN CC[N@H+](CCOCCO)Cc1cc(C)cc(Br)c1[O-] ZINC000800531494 1234267729 /nfs/dbraw/zinc/26/77/29/1234267729.db2.gz GCQOMQAYOIOVDL-UHFFFAOYSA-N 0 0 332.238 2.294 10 10 EECERN C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903280182 1240165787 /nfs/dbraw/zinc/16/57/87/1240165787.db2.gz TVLJZIJNXKIXBA-MEBBXXQBSA-N 0 0 349.258 2.043 10 10 EECERN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969269 1242787921 /nfs/dbraw/zinc/78/79/21/1242787921.db2.gz DXSOIDSLRUUAQY-NSHDSACASA-N 0 0 328.815 2.433 10 10 EECERN C=CC(=O)NCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000826952005 1248226249 /nfs/dbraw/zinc/22/62/49/1248226249.db2.gz DMCRCOHCHVZNNP-UHFFFAOYSA-N 0 0 325.412 2.055 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1c[nH]c(=O)cc1C(F)(F)F ZINC001137443457 1248460372 /nfs/dbraw/zinc/46/03/72/1248460372.db2.gz QQDDGHVGLFEJLK-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN COC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCC(F)(F)CC1 ZINC000849968780 1276966441 /nfs/dbraw/zinc/96/64/41/1276966441.db2.gz YYYIBTGUTAWJIO-UHFFFAOYSA-N 0 0 344.310 2.418 10 10 EECERN CO[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC000851988504 1291944080 /nfs/dbraw/zinc/94/40/80/1291944080.db2.gz ZTLKNDBAEOKQDI-SJLPKXTDSA-N 0 0 347.459 2.138 10 10 EECERN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nccn1C ZINC000852138808 1292007981 /nfs/dbraw/zinc/00/79/81/1292007981.db2.gz UCGAVQNGEFIURN-AWEZNQCLSA-N 0 0 325.416 2.357 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NOCC(F)(F)F)C2)cc1 ZINC000852217423 1292044949 /nfs/dbraw/zinc/04/49/49/1292044949.db2.gz BXBFFERPFIHENK-JTQLQIEISA-N 0 0 333.310 2.067 10 10 EECERN CO[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000852261778 1292069922 /nfs/dbraw/zinc/06/99/22/1292069922.db2.gz VIIVTIHSEUJUAK-UKPHBRMFSA-N 0 0 335.448 2.164 10 10 EECERN Cc1cc(C(=O)OC[C@H]2CCC(=O)NC2)c(C)n1-c1ccccn1 ZINC000853138537 1292294595 /nfs/dbraw/zinc/29/45/95/1292294595.db2.gz WCCBJNCNDFCIAH-AWEZNQCLSA-N 0 0 327.384 2.172 10 10 EECERN C[C@@H](NC(=O)N1CC[C@H](O)C(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000854004770 1292579117 /nfs/dbraw/zinc/57/91/17/1292579117.db2.gz VSCFOXIPHYVECE-RISCZKNCSA-N 0 0 327.375 2.225 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CC(C)(C)O)C2)cc1 ZINC000854297495 1292708757 /nfs/dbraw/zinc/70/87/57/1292708757.db2.gz OZJWBIHHSRQFDQ-KGLIPLIRSA-N 0 0 335.448 2.123 10 10 EECERN CCC[C@@](C)(CO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299429 1292710397 /nfs/dbraw/zinc/71/03/97/1292710397.db2.gz ISARZCAGALWUBE-KDOFPFPSSA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc([C@H](C)O)s3)C2)cc1 ZINC000855223214 1293116288 /nfs/dbraw/zinc/11/62/88/1293116288.db2.gz CTDCFRNZJIWOCK-NWDGAFQWSA-N 0 0 347.440 2.214 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3oc(CO)cc3C)C2)cc1 ZINC000855223368 1293116668 /nfs/dbraw/zinc/11/66/68/1293116668.db2.gz GCIALYHGPAQTGS-ZDUSSCGKSA-N 0 0 330.384 2.098 10 10 EECERN CCn1nc(C)cc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229696 1293121170 /nfs/dbraw/zinc/12/11/70/1293121170.db2.gz LLMBXPQNXFOJDW-CQSZACIVSA-N 0 0 328.416 2.229 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)nnc3C)C2)cc1 ZINC000855233901 1293122819 /nfs/dbraw/zinc/12/28/19/1293122819.db2.gz OUCUTJODAQRTMC-CQSZACIVSA-N 0 0 326.400 2.111 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(O)cccc3O)C2)cc1 ZINC000857302425 1293787186 /nfs/dbraw/zinc/78/71/86/1293787186.db2.gz QSSZKBAPQGHAOI-GFCCVEGCSA-N 0 0 328.368 2.115 10 10 EECERN COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cnc1OC ZINC000861417326 1295396037 /nfs/dbraw/zinc/39/60/37/1295396037.db2.gz AUJPDWJJFLFCLP-UHFFFAOYSA-N 0 0 330.388 2.487 10 10 EECERN CC(=O)N[C@H](CC1CCC1)C(=O)NCc1ccc2cccnc2c1O ZINC000862026526 1295659989 /nfs/dbraw/zinc/65/99/89/1295659989.db2.gz REVBHKGRLKTPFX-MRXNPFEDSA-N 0 0 341.411 2.252 10 10 EECERN CC1(C)C[C@]1(C)CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001119465162 1309082039 /nfs/dbraw/zinc/08/20/39/1309082039.db2.gz PRMWIDXTFRDFNB-HXUWFJFHSA-N 0 0 343.471 2.455 10 10 EECERN CC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124549276 1310915044 /nfs/dbraw/zinc/91/50/44/1310915044.db2.gz GICNVVGJATYDJY-GOSISDBHSA-N 0 0 329.444 2.256 10 10 EECERN Cc1cc(C(=O)COC(=O)CC(N)=O)c(C)n1-c1ccccc1C ZINC000840495952 1315371500 /nfs/dbraw/zinc/37/15/00/1315371500.db2.gz RRRLIZIQMHAFLM-UHFFFAOYSA-N 0 0 328.368 2.004 10 10 EECERN Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000841132893 1315484773 /nfs/dbraw/zinc/48/47/73/1315484773.db2.gz IYAASHGEKGNQLL-SJORKVTESA-N 0 0 339.395 2.244 10 10 EECERN CNC(=O)[C@@H](NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000841580367 1315582419 /nfs/dbraw/zinc/58/24/19/1315582419.db2.gz HBBUNCFFIJIYMF-PBHICJAKSA-N 0 0 348.491 2.062 10 10 EECERN CSc1nc(C)c(CCC(=O)NCc2cc(O)ccc2O)c(C)n1 ZINC001153879393 1316907195 /nfs/dbraw/zinc/90/71/95/1316907195.db2.gz MZTIZUGCTMQZHH-UHFFFAOYSA-N 0 0 347.440 2.476 10 10 EECERN CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001293599493 1328758287 /nfs/dbraw/zinc/75/82/87/1328758287.db2.gz YCBPUNPJKNSKTR-JSGCOSHPSA-N 0 0 345.403 2.226 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2C[C@@H]2C)cc1F ZINC001257235069 1318969089 /nfs/dbraw/zinc/96/90/89/1318969089.db2.gz YBIXDQVSLIOUAD-JSGCOSHPSA-N 0 0 335.423 2.060 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1ccnc(-n2ccnc2)c1 ZINC001162606919 1320910362 /nfs/dbraw/zinc/91/03/62/1320910362.db2.gz AUASYQDVWLBERC-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN CCOC(=O)c1nnc(NC(=O)c2ccc(C3=S=CC=C3)o2)s1 ZINC001266146950 1323716984 /nfs/dbraw/zinc/71/69/84/1323716984.db2.gz MOWOUJWRSOGEPS-UHFFFAOYSA-N 0 0 349.393 2.186 10 10 EECERN O=C(CCn1sc2ccccc2c1=O)NCc1ccc(O)c(O)c1 ZINC001294868717 1329175266 /nfs/dbraw/zinc/17/52/66/1329175266.db2.gz GFDIDOMZLJVWQD-UHFFFAOYSA-N 0 0 344.392 2.181 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)c1nc(-c2cnccn2)no1 ZINC001304090406 1331376468 /nfs/dbraw/zinc/37/64/68/1331376468.db2.gz HCRPDCIQETXISH-UHFFFAOYSA-N 0 0 347.334 2.315 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC001319414859 1332697724 /nfs/dbraw/zinc/69/77/24/1332697724.db2.gz KJSPVLGPJFSGBH-XTKXOIQPSA-N 0 0 334.372 2.380 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3noc(C)n3)C2)cc1 ZINC001330620390 1334878495 /nfs/dbraw/zinc/87/84/95/1334878495.db2.gz DXRZXPGRLBIHEM-AAEUAGOBSA-N 0 0 345.403 2.026 10 10 EECERN CCc1cccc(CNC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC001332641919 1335870551 /nfs/dbraw/zinc/87/05/51/1335870551.db2.gz IGUCFPWOHQYZRM-UHFFFAOYSA-N 0 0 326.396 2.229 10 10 EECERN COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(N2CCCC2)cc1 ZINC001334327198 1336239656 /nfs/dbraw/zinc/23/96/56/1336239656.db2.gz PFDUHGUMNVVUSP-ZWKOTPCHSA-N 0 0 332.444 2.487 10 10 EECERN CN(CCCc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001335547142 1336393255 /nfs/dbraw/zinc/39/32/55/1336393255.db2.gz HTXNZGDPTMWKIP-UHFFFAOYSA-N 0 0 338.407 2.326 10 10 EECERN C[C@H](C[C@@H](C)NC(=O)C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001339759102 1337068415 /nfs/dbraw/zinc/06/84/15/1337068415.db2.gz DAKDPLUQGLNIGB-GHMZBOCLSA-N 0 0 345.403 2.272 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N2CC3CC2(C3)C1=O ZINC000849357429 1339154276 /nfs/dbraw/zinc/15/42/76/1339154276.db2.gz PEGINKPBACHMLH-CDJWAVJASA-N 0 0 327.428 2.419 10 10 EECERN COc1ccc(N2CC[C@H](NS(=O)(=O)CCC3CCC3)C2)cc1 ZINC000849417448 1339156415 /nfs/dbraw/zinc/15/64/15/1339156415.db2.gz RFNQDHZKKJVLPF-HNNXBMFYSA-N 0 0 338.473 2.384 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)cc1 ZINC001611428088 1352300414 /nfs/dbraw/zinc/30/04/14/1352300414.db2.gz YVDQTVVHDQHLEQ-CYBMUJFWSA-N 0 0 332.360 2.265 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC[C@H](CCC(N)=O)C2)cc1OC ZINC001611929793 1352304884 /nfs/dbraw/zinc/30/48/84/1352304884.db2.gz AXXCRNBPXCUEEW-LLVKDONJSA-N 0 0 337.376 2.094 10 10 EECERN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc(S(C)(=O)=O)c1 ZINC001558063692 1342463620 /nfs/dbraw/zinc/46/36/20/1342463620.db2.gz PXOFLSVWBBLWEI-XQRVVYSFSA-N 0 0 347.392 2.462 10 10 EECERN COc1ccc(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)nc1 ZINC001583617360 1344919870 /nfs/dbraw/zinc/91/98/70/1344919870.db2.gz CATKAGAHHSECSX-UHFFFAOYSA-N 0 0 342.395 2.450 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3cc(C=O)[nH]c3C)CC2)cc1 ZINC001596732450 1349911578 /nfs/dbraw/zinc/91/15/78/1349911578.db2.gz AVAHRFLNAFLYRJ-UHFFFAOYSA-N 0 0 341.411 2.497 10 10 EECERN O=C(NCc1ccccc1O)c1cc(Br)cn2ncnc12 ZINC001622772662 1352388972 /nfs/dbraw/zinc/38/89/72/1352388972.db2.gz AGQCCHOKFNLRJJ-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cn2cc(F)ccc2n1 ZINC001624955265 1352435772 /nfs/dbraw/zinc/43/57/72/1352435772.db2.gz WCPMEQVOQUWECM-NSHDSACASA-N 0 0 343.358 2.175 10 10 EECERN O=C(Cc1cccnc1Br)NCc1ccc(O)cc1O ZINC001626838358 1352475065 /nfs/dbraw/zinc/47/50/65/1352475065.db2.gz YMCLBYAMOYPHJL-UHFFFAOYSA-N 0 0 337.173 2.114 10 10 EECERN Cc1ccc(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)c(O)c1O ZINC001639388700 1352697916 /nfs/dbraw/zinc/69/79/16/1352697916.db2.gz HQPYGDDQZSTRJJ-NSHDSACASA-N 0 0 336.413 2.450 10 10 EECERN COC(=O)c1cccc2c1CCN2C(=O)c1c[nH]nc1-c1cccnc1 ZINC001647761432 1353401440 /nfs/dbraw/zinc/40/14/40/1353401440.db2.gz RVVSISCTJUFOCJ-UHFFFAOYSA-N 0 0 348.362 2.461 10 10 EECERN COC(=O)c1ccc2c(c1)CN(C(=O)c1c(F)ccc(O)c1O)CC2 ZINC001650907416 1354033491 /nfs/dbraw/zinc/03/34/91/1354033491.db2.gz VELFXBAZJJDGDG-UHFFFAOYSA-N 0 0 345.326 2.222 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)Cc2ncccn2)c([N+](=O)[O-])c1 ZINC001655799234 1354185412 /nfs/dbraw/zinc/18/54/12/1354185412.db2.gz XYEYJPKPBDENHT-FNORWQNLSA-N 0 0 328.328 2.207 10 10 EECERN O=C(NCc1ncn(-c2ccccc2)n1)NCc1c(O)cccc1F ZINC001673116540 1356647291 /nfs/dbraw/zinc/64/72/91/1356647291.db2.gz TTWKYDFDZDNHIP-UHFFFAOYSA-N 0 0 341.346 2.111 10 10 EECERN CCc1nnc(C2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)[nH]1 ZINC000588583948 761045388 /nfs/dbraw/zinc/04/53/88/761045388.db2.gz GRJCELLSSUSIJR-XQRVVYSFSA-N 0 0 342.399 2.198 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC12CCCC2 ZINC000846737388 790485541 /nfs/dbraw/zinc/48/55/41/790485541.db2.gz WNJFZYVKDKEBIC-UHFFFAOYSA-N 0 0 339.439 2.224 10 10 EECERN COc1nsc(OC)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC001146196197 791112967 /nfs/dbraw/zinc/11/29/67/791112967.db2.gz ILAGDBYLEHLFFM-UHFFFAOYSA-N 0 0 335.429 2.465 10 10 EECERN CNC(=O)c1cc(OC)c(OC)cc1NC(=O)C1=CC(=O)CS1 ZINC001136200819 785476071 /nfs/dbraw/zinc/47/60/71/785476071.db2.gz LTBZAHZBYAGIAE-UHFFFAOYSA-N 0 0 336.369 2.083 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)cc1 ZINC000911277967 787348232 /nfs/dbraw/zinc/34/82/32/787348232.db2.gz ZBGNQYXIEWXZRS-ZMYBRWDISA-N 0 0 344.455 2.453 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cn3ccnc3C(C)C)C2)cc1 ZINC000824372506 788151111 /nfs/dbraw/zinc/15/11/11/788151111.db2.gz DSTQTLNKZPCPAR-HNNXBMFYSA-N 0 0 342.443 2.410 10 10 EECERN CNC(=O)[C@@H]1CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825143166 788456814 /nfs/dbraw/zinc/45/68/14/788456814.db2.gz DWJOXHOMXFEPQW-SFHVURJKSA-N 0 0 339.439 2.374 10 10 EECERN COC(=O)c1cccc2c1CN(C(=O)c1ccc(C)c(O)c1O)CC2 ZINC000844052727 788819825 /nfs/dbraw/zinc/81/98/25/788819825.db2.gz VSWAFNMYOYOTFP-UHFFFAOYSA-N 0 0 341.363 2.391 10 10 EECERN C[NH+]1CCC2(CC1)CN(Cc1cc(Cl)cc(F)c1[O-])CCO2 ZINC000843431374 788823427 /nfs/dbraw/zinc/82/34/27/788823427.db2.gz DIMXFCXBDYBSBN-UHFFFAOYSA-N 0 0 328.815 2.481 10 10 EECERN CC(C)c1nc([C@H](CO)NC(=O)Cc2ccc(O)c(O)c2)cs1 ZINC001143949852 789092905 /nfs/dbraw/zinc/09/29/05/789092905.db2.gz RMJHBPINUZOXPD-NSHDSACASA-N 0 0 336.413 2.070 10 10 EECERN Cc1cnc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000845872201 789971275 /nfs/dbraw/zinc/97/12/75/789971275.db2.gz DNVZWWCMCRCQGU-UHFFFAOYSA-N 0 0 340.427 2.328 10 10 EECERN COC(=O)[C@H](CCF)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000846432142 790169848 /nfs/dbraw/zinc/16/98/48/790169848.db2.gz MBYOHVVLFXYXFL-AWEZNQCLSA-N 0 0 333.363 2.120 10 10 EECERN COC(=O)[C@@H](CCF)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000846432145 790169954 /nfs/dbraw/zinc/16/99/54/790169954.db2.gz MBYOHVVLFXYXFL-CQSZACIVSA-N 0 0 333.363 2.120 10 10 EECERN Cc1nnc(C(=O)NCc2cc(Br)ccc2O)s1 ZINC000796638402 791217755 /nfs/dbraw/zinc/21/77/55/791217755.db2.gz GQKXJEROHGHBGC-UHFFFAOYSA-N 0 0 328.191 2.245 10 10 EECERN CO[C@@]1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CCSC1 ZINC000915367251 795943603 /nfs/dbraw/zinc/94/36/03/795943603.db2.gz XYHZEHJKXXDJHE-MRXNPFEDSA-N 0 0 341.452 2.213 10 10 EECERN C[C@H](NC(=O)c1ccc2c(c1)C(=O)NCCO2)c1ccccc1O ZINC001171737908 796733801 /nfs/dbraw/zinc/73/38/01/796733801.db2.gz SSSAQMCQAUPSOU-NSHDSACASA-N 0 0 326.352 2.005 10 10 EECERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1O ZINC001178905061 799693290 /nfs/dbraw/zinc/69/32/90/799693290.db2.gz FGHBIDFQCMDAMM-JTQLQIEISA-N 0 0 348.786 2.186 10 10 EECERN COC(=O)c1ccnc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001182707620 801316029 /nfs/dbraw/zinc/31/60/29/801316029.db2.gz JYEIGSYKNKHJBO-UHFFFAOYSA-N 0 0 327.300 2.283 10 10 EECERN COC(=O)c1cncnc1/C=C\c1ccc(N2CCOCC2)cc1 ZINC000790609636 808846806 /nfs/dbraw/zinc/84/68/06/808846806.db2.gz NJCJTKDPOXPLPH-DAXSKMNVSA-N 0 0 325.368 2.270 10 10 EECERN CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)cc2O)c1 ZINC000794378275 810804682 /nfs/dbraw/zinc/80/46/82/810804682.db2.gz REWNQASRRCMTFG-UHFFFAOYSA-N 0 0 349.408 2.124 10 10 EECERN CCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1cccc(Cl)c1 ZINC000808500978 812673937 /nfs/dbraw/zinc/67/39/37/812673937.db2.gz FOTPFQZWJBZKBF-UHFFFAOYSA-N 0 0 334.759 2.403 10 10 EECERN CCCCc1ccc(N2C[C@H](C(=O)OCC(=O)C(C)=O)CC2=O)cc1 ZINC000808500909 812674806 /nfs/dbraw/zinc/67/48/06/812674806.db2.gz CPOXGUBEZVSPFG-OAHLLOKOSA-N 0 0 345.395 2.083 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1 ZINC000808536368 812706532 /nfs/dbraw/zinc/70/65/32/812706532.db2.gz PXNKWGGEBCQTLT-UHFFFAOYSA-N 0 0 337.335 2.044 10 10 EECERN O=C(c1ccc(CO)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001546034318 1098006373 /nfs/dbraw/zinc/00/63/73/1098006373.db2.gz TUYMYHQQMPQOMK-KRWDZBQOSA-N 0 0 342.395 2.101 10 10 EECERN CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@]2(CCOC2)O1 ZINC001448273845 1104295235 /nfs/dbraw/zinc/29/52/35/1104295235.db2.gz FTZCOFMMZXUSLH-KRWDZBQOSA-N 0 0 346.387 2.259 10 10 EECERN O=C(C[C@H]1C(=O)Nc2c1cccc2F)N1Cc2cccc(O)c2C1 ZINC001455036827 1108128968 /nfs/dbraw/zinc/12/89/68/1108128968.db2.gz JWNMXSIDUWLDIB-GFCCVEGCSA-N 0 0 326.327 2.500 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc(C(F)(F)F)[nH]c1=O ZINC001455357904 1108475211 /nfs/dbraw/zinc/47/52/11/1108475211.db2.gz XADQTXJWWCQUSK-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN Cn1nccc1COCC(=O)NCc1c(O)ccc2ccccc21 ZINC001456309913 1109138399 /nfs/dbraw/zinc/13/83/99/1109138399.db2.gz MTNBOIUETLQBDO-UHFFFAOYSA-N 0 0 325.368 2.112 10 10 EECERN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001457550495 1109663689 /nfs/dbraw/zinc/66/36/89/1109663689.db2.gz DORVGCXHUUETJB-SSDOTTSWSA-N 0 0 331.303 2.310 10 10 EECERN Cc1cc(NCc2c(O)cccc2O)n2nc(C(F)(F)F)nc2n1 ZINC001458639980 1109919765 /nfs/dbraw/zinc/91/97/65/1109919765.db2.gz KGORCIAFQGIBEU-UHFFFAOYSA-N 0 0 339.277 2.475 10 10 EECERN CC(=O)c1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1F ZINC001464325220 1110391750 /nfs/dbraw/zinc/39/17/50/1110391750.db2.gz BUBDBBZBYHUXBX-UHFFFAOYSA-N 0 0 335.356 2.438 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CN2CCOC2=O)cc1 ZINC001464402209 1110393572 /nfs/dbraw/zinc/39/35/72/1110393572.db2.gz QWWMUIONDCYYQY-UHFFFAOYSA-N 0 0 342.351 2.231 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCSC[C@@H]1c1nccs1 ZINC001467268230 1110452148 /nfs/dbraw/zinc/45/21/48/1110452148.db2.gz BDTSIKJZTFNPRE-LLVKDONJSA-N 0 0 336.438 2.414 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc(Br)no1 ZINC001468175281 1110469915 /nfs/dbraw/zinc/46/99/15/1110469915.db2.gz JQVKYRCABPCGRT-RQOWECAXSA-N 0 0 339.145 2.178 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cccc3c2O[C@H](C)C(=O)N3)c1 ZINC001470255670 1110503793 /nfs/dbraw/zinc/50/37/93/1110503793.db2.gz ZKXWUWZOUWTPRH-LLVKDONJSA-N 0 0 326.352 2.350 10 10 EECERN Cn1cc(Br)c(C(=O)N2Cc3cccc(O)c3C2)cc1=O ZINC001471358823 1110521401 /nfs/dbraw/zinc/52/14/01/1110521401.db2.gz OWMIACYQMRPLHW-UHFFFAOYSA-N 0 0 349.184 2.009 10 10 EECERN CCCCC(=O)N(C)C1CC(NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001511914159 1118316422 /nfs/dbraw/zinc/31/64/22/1118316422.db2.gz QWSCJSODOIYHNN-UHFFFAOYSA-N 0 0 349.431 2.008 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cc(C3CCOCC3)nn2C)c1 ZINC001520359323 1119149673 /nfs/dbraw/zinc/14/96/73/1119149673.db2.gz OPNOZBHUUWXKKG-UHFFFAOYSA-N 0 0 329.400 2.258 10 10 EECERN C[C@@H](C(=O)NCc1cccc(O)c1O)n1ccc(C(F)(F)F)n1 ZINC001521850934 1119279995 /nfs/dbraw/zinc/27/99/95/1119279995.db2.gz BDTRYNSSFZCXQE-QMMMGPOBSA-N 0 0 329.278 2.191 10 10 EECERN CN(C#N)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001523360970 1119766969 /nfs/dbraw/zinc/76/69/69/1119766969.db2.gz RIXWTZFGCVSEAU-WQLSENKSSA-N 0 0 349.412 2.356 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001523553362 1119810206 /nfs/dbraw/zinc/81/02/06/1119810206.db2.gz IKYXSSALVSOJQQ-UHFFFAOYSA-N 0 0 343.387 2.050 10 10 EECERN CC(=O)NCc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001528620527 1121095392 /nfs/dbraw/zinc/09/53/92/1121095392.db2.gz WIMZEUFDJMHLJY-UHFFFAOYSA-N 0 0 343.402 2.458 10 10 EECERN C[C@H](NC(=O)Cc1ccnc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC001542403323 1124112924 /nfs/dbraw/zinc/11/29/24/1124112924.db2.gz RRRHSQZDQXWCFE-AWEZNQCLSA-N 0 0 343.402 2.477 10 10 EECERN COc1cc(N2CCN(Cc3cocn3)CC2)cc(OC)c1OC ZINC000191977067 532956775 /nfs/dbraw/zinc/95/67/75/532956775.db2.gz FZZALYMKRCCLPV-UHFFFAOYSA-N 0 0 333.388 2.023 10 10 EECERN CC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)C(F)F ZINC000297126629 465246278 /nfs/dbraw/zinc/24/62/78/465246278.db2.gz GTUQVFYGEJQEQC-CABCVRRESA-N 0 0 339.386 2.267 10 10 EECERN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(O)c(O)c3)CC2=O)cc1 ZINC000159007948 463262641 /nfs/dbraw/zinc/26/26/41/463262641.db2.gz XCHBTLZWDKVNAM-AWEZNQCLSA-N 0 0 340.379 2.076 10 10 EECERN CCN(C)c1ccc(CNC(=O)[C@@H](C)S(=O)(=O)C(C)C)cc1F ZINC000069633328 463292607 /nfs/dbraw/zinc/29/26/07/463292607.db2.gz SJZJRWJMKHMBQF-GFCCVEGCSA-N 0 0 344.452 2.110 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000170731835 463700826 /nfs/dbraw/zinc/70/08/26/463700826.db2.gz QCCZQUHXRITWCB-UHFFFAOYSA-N 0 0 339.395 2.474 10 10 EECERN COc1cc(O)c(CN2CCN(c3cccs3)C(=O)C2)cc1OC ZINC000184971331 463727818 /nfs/dbraw/zinc/72/78/18/463727818.db2.gz KTSSAXNNISUGHG-UHFFFAOYSA-N 0 0 348.424 2.320 10 10 EECERN C[C@H]1COCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000277598608 463921407 /nfs/dbraw/zinc/92/14/07/463921407.db2.gz VLMDTPJUNSRORX-YJBOKZPZSA-N 0 0 347.459 2.090 10 10 EECERN CCN1C(=O)/C(=C\c2cnc(N3CCOCC3)s2)SC1=S ZINC000263748535 464176719 /nfs/dbraw/zinc/17/67/19/464176719.db2.gz RXZQDVUPGMMLEX-JXMROGBWSA-N 0 0 341.483 2.201 10 10 EECERN CCCOc1ccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c(O)c1 ZINC000180115289 464246016 /nfs/dbraw/zinc/24/60/16/464246016.db2.gz HJFZDELWMYHWJA-INIZCTEOSA-N 0 0 332.404 2.181 10 10 EECERN CCn1cc([C@@H]2CN(Cc3cc(OC)c(OC)cc3O)CCO2)cn1 ZINC000189856710 464557006 /nfs/dbraw/zinc/55/70/06/464557006.db2.gz LBHRNLQGPKRQJA-SFHVURJKSA-N 0 0 347.415 2.199 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C(C)C)cc2)CC1 ZINC000190584355 464682099 /nfs/dbraw/zinc/68/20/99/464682099.db2.gz UGJKHTBBLRMUJS-MOPGFXCFSA-N 0 0 343.471 2.263 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C(C)C)cc2)CC1 ZINC000190584375 464682413 /nfs/dbraw/zinc/68/24/13/464682413.db2.gz UGJKHTBBLRMUJS-RBUKOAKNSA-N 0 0 343.471 2.263 10 10 EECERN CN(C)c1ccc(CNC(=O)NC[C@@H](CO)c2ccccc2)cc1F ZINC000176037269 464684660 /nfs/dbraw/zinc/68/46/60/464684660.db2.gz NCRCAUXPVOTLCB-INIZCTEOSA-N 0 0 345.418 2.467 10 10 EECERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(OC)c(OC)cc1O ZINC000276172541 464834297 /nfs/dbraw/zinc/83/42/97/464834297.db2.gz SQJIBTFMINFGOS-NDGTYSDOSA-N 0 0 335.400 2.183 10 10 EECERN COCc1cc(N[C@H](C)c2cc(OC)ccc2O)n2ncnc2n1 ZINC000301193125 465920494 /nfs/dbraw/zinc/92/04/94/465920494.db2.gz MJDMKMMFVPDMHH-SNVBAGLBSA-N 0 0 329.360 2.158 10 10 EECERN COc1ccc2[nH]cc(C3=CCN(c4cncc(C(N)=O)n4)CC3)c2c1 ZINC000301454988 465966790 /nfs/dbraw/zinc/96/67/90/465966790.db2.gz WBGLDAHLXUGVDC-UHFFFAOYSA-N 0 0 349.394 2.359 10 10 EECERN CC(C)CO[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301642320 466001783 /nfs/dbraw/zinc/00/17/83/466001783.db2.gz BSRRZUPNWXAOAV-LLVKDONJSA-N 0 0 335.360 2.177 10 10 EECERN COc1ccc(CNC(=O)N[C@H]2COc3ccc(F)cc3C2)c(O)c1 ZINC000365747139 466926927 /nfs/dbraw/zinc/92/69/27/466926927.db2.gz CJAIWUYORMAPFO-CQSZACIVSA-N 0 0 346.358 2.343 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)CCCC1 ZINC000651955799 471182976 /nfs/dbraw/zinc/18/29/76/471182976.db2.gz AGGFUEHEICGZFY-IGOJGBNBSA-N 0 0 340.423 2.290 10 10 EECERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773008301 577310193 /nfs/dbraw/zinc/31/01/93/577310193.db2.gz NMUNGBSZLXYWDE-WFASDCNBSA-N 0 0 335.473 2.241 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1CCCCC1 ZINC000774499521 577401232 /nfs/dbraw/zinc/40/12/32/577401232.db2.gz VMSBSPGOJVZYBT-UHFFFAOYSA-N 0 0 331.460 2.374 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Cn2cnc3c2CCCC3)c1 ZINC000758059004 577615356 /nfs/dbraw/zinc/61/53/56/577615356.db2.gz ZFMUYBQZTXYEFN-GFCCVEGCSA-N 0 0 329.400 2.354 10 10 EECERN COCc1nnc(N2CCN(c3ccc(OC)c(F)c3)CC2)s1 ZINC000763366951 577720005 /nfs/dbraw/zinc/72/00/05/577720005.db2.gz HDSBYFRCLLXYQP-UHFFFAOYSA-N 0 0 338.408 2.159 10 10 EECERN CC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@H](C)C1 ZINC000763684530 577724526 /nfs/dbraw/zinc/72/45/26/577724526.db2.gz QJEFQXSJSAVPGG-AWEZNQCLSA-N 0 0 340.427 2.182 10 10 EECERN O=C(NCc1ccccc1O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000748347420 577959782 /nfs/dbraw/zinc/95/97/82/577959782.db2.gz ZTIKCXWBJHXRTD-GFCCVEGCSA-N 0 0 346.333 2.340 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCc1cc(C(F)(F)F)nn1C ZINC000926549352 679353370 /nfs/dbraw/zinc/35/33/70/679353370.db2.gz LDEHQJPJEKYOLB-UHFFFAOYSA-N 0 0 342.321 2.486 10 10 EECERN Cn1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)ccc1=O ZINC000194639434 685431553 /nfs/dbraw/zinc/43/15/53/685431553.db2.gz IUPMEJWDALXSHH-UHFFFAOYSA-N 0 0 326.400 2.089 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000895395330 684581192 /nfs/dbraw/zinc/58/11/92/684581192.db2.gz YRVBCVKQUBZDAG-YSVXCWOHSA-N 0 0 343.471 2.467 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cccc(C(N)=O)c1 ZINC000025333489 684797797 /nfs/dbraw/zinc/79/77/97/684797797.db2.gz JINSKBKVKMTJNH-UHFFFAOYSA-N 0 0 348.362 2.279 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(n2ccnn2)CC1 ZINC000897137723 686184026 /nfs/dbraw/zinc/18/40/26/686184026.db2.gz LKIOBDZDAACFQV-UHFFFAOYSA-N 0 0 344.396 2.381 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=CS(=O)(=O)CCC1 ZINC001625798120 1176121256 /nfs/dbraw/zinc/12/12/56/1176121256.db2.gz VLYWRZQNXRRMLY-UHFFFAOYSA-N 0 0 336.457 2.194 10 10 EECERN CC(C)CCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000129779044 1178856222 /nfs/dbraw/zinc/85/62/22/1178856222.db2.gz LGXVHSASFYINID-UHFFFAOYSA-N 0 0 328.434 2.320 10 10 EECERN CCOC1CC2(C[C@@H]2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000864984050 1198034202 /nfs/dbraw/zinc/03/42/02/1198034202.db2.gz DUHYWIASSLBWTD-QPIRBTGLSA-N 0 0 344.455 2.345 10 10 EECERN CN(C)c1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CCCO2)cc1F ZINC000865050543 1198063472 /nfs/dbraw/zinc/06/34/72/1198063472.db2.gz DFFGKBNOWXWXTL-HNNXBMFYSA-N 0 0 332.379 2.396 10 10 EECERN CCCn1c(C)nnc1COc1ccc(N(C)C)c(C(=O)OC)c1 ZINC000865395826 1198194940 /nfs/dbraw/zinc/19/49/40/1198194940.db2.gz CRXQXCSQZJXBSK-UHFFFAOYSA-N 0 0 332.404 2.428 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3nc([C@H]4C[C@@H]4C)no3)C2)cc1 ZINC000866018638 1198456247 /nfs/dbraw/zinc/45/62/47/1198456247.db2.gz LZPGCNLKBYQJEK-HUBLWGQQSA-N 0 0 342.399 2.210 10 10 EECERN O=C(C1CC1)[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1 ZINC000825798569 1199283055 /nfs/dbraw/zinc/28/30/55/1199283055.db2.gz YUWVDTQDCZBLDI-AWEZNQCLSA-N 0 0 340.217 2.335 10 10 EECERN CC1(c2ccc(CNC(=O)c3cccc(O)c3O)cc2)OCCO1 ZINC000869970003 1200380494 /nfs/dbraw/zinc/38/04/94/1200380494.db2.gz KYGSUQXOEAZPGX-UHFFFAOYSA-N 0 0 329.352 2.247 10 10 EECERN O=C(NCCCSc1nccs1)N[C@H]1CCc2[nH]cnc2C1 ZINC000812153448 1200546113 /nfs/dbraw/zinc/54/61/13/1200546113.db2.gz CCQDRKABRKXGFJ-JTQLQIEISA-N 0 0 337.474 2.205 10 10 EECERN Cc1cn(C)nc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826072045 1200639709 /nfs/dbraw/zinc/63/97/09/1200639709.db2.gz UKJGBZUJCDOXMP-UHFFFAOYSA-N 0 0 347.394 2.026 10 10 EECERN CON1CCC(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000868889608 1201899387 /nfs/dbraw/zinc/89/93/87/1201899387.db2.gz LHCMIKVMFLZQKY-OAHLLOKOSA-N 0 0 333.476 2.382 10 10 EECERN COC[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCOC1 ZINC000886359403 1202496623 /nfs/dbraw/zinc/49/66/23/1202496623.db2.gz BNSULGDJHCIMQC-MFKMUULPSA-N 0 0 344.795 2.485 10 10 EECERN Cc1cc(C(F)(F)F)nn1CC(=O)NCc1c(O)cccc1F ZINC000928706983 1206413711 /nfs/dbraw/zinc/41/37/11/1206413711.db2.gz ZHKNQRVZDJOHSJ-UHFFFAOYSA-N 0 0 331.269 2.371 10 10 EECERN C[C@@H](NC(=O)c1cc2c(cn1)nc[nH]c2=O)c1ccc(N(C)C)cc1 ZINC000777794417 1206486353 /nfs/dbraw/zinc/48/63/53/1206486353.db2.gz YHNGAIOWLJPSOA-LLVKDONJSA-N 0 0 337.383 2.287 10 10 EECERN C[C@@H](NS(=O)(=O)c1cnn(CC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000778081404 1207581812 /nfs/dbraw/zinc/58/18/12/1207581812.db2.gz JKAMENNITRCXEO-CYBMUJFWSA-N 0 0 348.472 2.399 10 10 EECERN COC(=O)C(=O)[C@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000778289976 1208071456 /nfs/dbraw/zinc/07/14/56/1208071456.db2.gz MYMKQAWWRXGJII-ZDUSSCGKSA-N 0 0 329.352 2.382 10 10 EECERN COC(=O)C(=O)[C@H](C)OC(=O)c1sccc1-n1c(C)ccc1C ZINC000778302615 1208097430 /nfs/dbraw/zinc/09/74/30/1208097430.db2.gz FSOSRUYVOXACRM-NSHDSACASA-N 0 0 335.381 2.443 10 10 EECERN COc1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c(O)c1 ZINC000795284927 1212429617 /nfs/dbraw/zinc/42/96/17/1212429617.db2.gz NJIKQQCHICLFSL-UHFFFAOYSA-N 0 0 345.311 2.252 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCC[C@H]1C ZINC000248801167 1214944171 /nfs/dbraw/zinc/94/41/71/1214944171.db2.gz ZHJAMGAJLSWTDD-CQSZACIVSA-N 0 0 325.478 2.304 10 10 EECERN [O-]c1c(F)cc(Cl)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827698837 1248655229 /nfs/dbraw/zinc/65/52/29/1248655229.db2.gz BQMIWFICVALHSF-AWEZNQCLSA-N 0 0 328.815 2.216 10 10 EECERN COc1ccc([C@@]2(C(=O)NCc3ccccc3O)C[C@@H](O)C2)cc1 ZINC000901125101 1235254167 /nfs/dbraw/zinc/25/41/67/1235254167.db2.gz SCSYHQKDPPKFSK-RHDGDCLCSA-N 0 0 327.380 2.110 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)CCOCC2CCC2)cc1F ZINC000827071335 1249783509 /nfs/dbraw/zinc/78/35/09/1249783509.db2.gz CQZBUFRRXAPJEF-UHFFFAOYSA-N 0 0 344.452 2.128 10 10 EECERN C[C@]12COC[C@@H]1CN(C(=O)c1csc(Cc3ccc(N)cc3)n1)C2 ZINC000851645587 1277699605 /nfs/dbraw/zinc/69/96/05/1277699605.db2.gz KTQQEUUBXYYBGA-UGSOOPFHSA-N 0 0 343.452 2.425 10 10 EECERN COCCN(C[C@@H](OC)[C@@H]1CCOC1)c1ccc(OC)c(OC)c1 ZINC000851848190 1291885863 /nfs/dbraw/zinc/88/58/63/1291885863.db2.gz ZMYWAHKGTVOINU-RDTXWAMCSA-N 0 0 339.432 2.208 10 10 EECERN COCCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852029548 1291962176 /nfs/dbraw/zinc/96/21/76/1291962176.db2.gz MBTSOADECGVXEA-HNNXBMFYSA-N 0 0 335.448 2.390 10 10 EECERN C[C@@]12COC[C@H]1CN(C(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC000852138603 1292008242 /nfs/dbraw/zinc/00/82/42/1292008242.db2.gz PKLQLSNPBGJWFO-VQIMIIECSA-N 0 0 327.428 2.241 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CSC[C@H]3C)C2)cc1 ZINC000852326857 1292093852 /nfs/dbraw/zinc/09/38/52/1292093852.db2.gz SBQUZVMCBNIGIB-DVOMOZLQSA-N 0 0 335.473 2.325 10 10 EECERN C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@H](C)C1O ZINC000853855879 1292491111 /nfs/dbraw/zinc/49/11/11/1292491111.db2.gz JHIQZMOYVWJPPG-QWRGUYRKSA-N 0 0 329.491 2.284 10 10 EECERN C[C@@H](NC(=O)N1CC[C@@H](Cn2ccnn2)C1)c1ccc(N(C)C)cc1 ZINC000854004765 1292579553 /nfs/dbraw/zinc/57/95/53/1292579553.db2.gz VQOCHFIAFXNKJQ-HUUCEWRRSA-N 0 0 342.447 2.137 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H]3CCCOC3)C2)cc1 ZINC000854297421 1292709309 /nfs/dbraw/zinc/70/93/09/1292709309.db2.gz NEKMKTRQHWQMQJ-ZBFHGGJFSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@]3(C)CCO[C@@H]3C)C2)cc1 ZINC000854298353 1292709993 /nfs/dbraw/zinc/70/99/93/1292709993.db2.gz AZKIDRDJUCCGKB-GLJUWKHASA-N 0 0 333.432 2.141 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H]3C[C@@H](OC)C3)C2)cc1 ZINC000854298271 1292710095 /nfs/dbraw/zinc/71/00/95/1292710095.db2.gz ZGJGAPGDMNZFMB-JLJPHGGASA-N 0 0 333.432 2.093 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCCO[C@H](C)C3)C2)cc1 ZINC000854300793 1292712142 /nfs/dbraw/zinc/71/21/42/1292712142.db2.gz AJCAALMQYLGPDG-HUUCEWRRSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC(CCO)CC3)C2)cc1 ZINC000854300867 1292712569 /nfs/dbraw/zinc/71/25/69/1292712569.db2.gz CEVOBBGUQOTZLT-MRXNPFEDSA-N 0 0 347.459 2.078 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cn(C)nc3Cl)C2)cc1 ZINC000855227039 1293119508 /nfs/dbraw/zinc/11/95/08/1293119508.db2.gz SYGGVSQABARSQV-NSHDSACASA-N 0 0 334.807 2.091 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)Cc3cnn(C)c3)C2)cc1 ZINC000855227125 1293120032 /nfs/dbraw/zinc/12/00/32/1293120032.db2.gz VYFVDGMSCPBGGV-HOCLYGCPSA-N 0 0 342.443 2.002 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)C[C@H]3C)C2)cc1 ZINC000855233766 1293123217 /nfs/dbraw/zinc/12/32/17/1293123217.db2.gz MKSHTDNDCBFTCR-QWQRMKEZSA-N 0 0 330.428 2.395 10 10 EECERN CO[C@@]1(CO)CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000855442032 1293214325 /nfs/dbraw/zinc/21/43/25/1293214325.db2.gz OTFXRMNRLZVSLX-IBGZPJMESA-N 0 0 343.427 2.103 10 10 EECERN COC(=O)N(C)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000855935966 1293373337 /nfs/dbraw/zinc/37/33/37/1293373337.db2.gz PUSKPPAAHSADRW-UHFFFAOYSA-N 0 0 343.427 2.451 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCC2(CC(N)=O)CCCCC2)c1 ZINC000858624984 1294172404 /nfs/dbraw/zinc/17/24/04/1294172404.db2.gz ZMNGKKPTEKNGEO-UHFFFAOYSA-N 0 0 333.432 2.326 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000858886642 1294253852 /nfs/dbraw/zinc/25/38/52/1294253852.db2.gz YFFQIUXGANZDFZ-INIZCTEOSA-N 0 0 340.489 2.472 10 10 EECERN C[C@H](NS(=O)(=O)[C@@H]1COC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000859114730 1294323273 /nfs/dbraw/zinc/32/32/73/1294323273.db2.gz LGOVQCSSCUFERU-WFASDCNBSA-N 0 0 326.462 2.301 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CN(C)C(=O)[C@H]2C)c1 ZINC000862117224 1295705450 /nfs/dbraw/zinc/70/54/50/1295705450.db2.gz VLVAJBBZLPFXJY-CQSZACIVSA-N 0 0 339.395 2.167 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000862754479 1295951839 /nfs/dbraw/zinc/95/18/39/1295951839.db2.gz ZFJNMOMFHAVNBY-CHWSQXEVSA-N 0 0 347.333 2.301 10 10 EECERN CC(=O)N[C@H](CC(=O)NCc1cccc(O)c1O)c1ccc(C)cc1 ZINC001123887872 1310750910 /nfs/dbraw/zinc/75/09/10/1310750910.db2.gz DQMOCVHAYSXZJD-MRXNPFEDSA-N 0 0 342.395 2.290 10 10 EECERN CCOc1ccc(N2CCN(C(=O)C3=C[S@](=O)CCC3)CC2)cc1 ZINC001137658332 1314468717 /nfs/dbraw/zinc/46/87/17/1314468717.db2.gz DFZDDFYFFMSMCA-XMMPIXPASA-N 0 0 348.468 2.160 10 10 EECERN COC(=O)c1nc(NC(=O)Cc2ccc(O)c(O)c2)sc1C1CC1 ZINC001138200826 1314573631 /nfs/dbraw/zinc/57/36/31/1314573631.db2.gz AOIYVQNGAOHFKE-UHFFFAOYSA-N 0 0 348.380 2.400 10 10 EECERN COc1ccc(N2CCN(CN3C[C@H]4CCC[C@H]4C3=O)CC2)cc1 ZINC000839949805 1315262382 /nfs/dbraw/zinc/26/23/82/1315262382.db2.gz QNTATVVGUJHUSG-CRAIPNDOSA-N 0 0 329.444 2.033 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC1(CO)C2CC3CC(C2)CC1C3 ZINC000840520690 1315373289 /nfs/dbraw/zinc/37/32/89/1315373289.db2.gz HPEYMYBKIYCWFV-RQOWECAXSA-N 0 0 343.423 2.414 10 10 EECERN CC[C@@H](C)C[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OC ZINC000843415325 1315910726 /nfs/dbraw/zinc/91/07/26/1315910726.db2.gz JLNMSDYEJYGCKW-PWSUYJOCSA-N 0 0 340.376 2.376 10 10 EECERN COc1cc(OC)c(C(=O)NCc2cccc(O)c2O)cc1OC ZINC001153793224 1316884689 /nfs/dbraw/zinc/88/46/89/1316884689.db2.gz ZFHADDZBMIPTAY-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN CCOC(=O)c1cc(CNC(=O)N[C@@H](C)c2ccccc2O)on1 ZINC001254426736 1318071740 /nfs/dbraw/zinc/07/17/40/1318071740.db2.gz BKOIIRCXRWAJDG-JTQLQIEISA-N 0 0 333.344 2.117 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001156880841 1318257575 /nfs/dbraw/zinc/25/75/75/1318257575.db2.gz DCXGIWKESLBOBU-OLZOCXBDSA-N 0 0 341.363 2.289 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cnc(F)c(Br)c1 ZINC001162279297 1320803856 /nfs/dbraw/zinc/80/38/56/1320803856.db2.gz ZREWATXNBVZUKS-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN C[C@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)c2ncnn21 ZINC001262201078 1322253983 /nfs/dbraw/zinc/25/39/83/1322253983.db2.gz NHGPVDDXJMGIBJ-SUMWQHHRSA-N 0 0 327.432 2.035 10 10 EECERN CCCCC(=O)N1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001283329877 1326013816 /nfs/dbraw/zinc/01/38/16/1326013816.db2.gz GWHGAAMOLIGXOS-CQSZACIVSA-N 0 0 345.403 2.370 10 10 EECERN COc1cccc(CNC(=O)c2ccc(F)cc2NC(C)=O)c1O ZINC001294925284 1329764593 /nfs/dbraw/zinc/76/45/93/1329764593.db2.gz NHHHOLPPFBXAIZ-UHFFFAOYSA-N 0 0 332.331 2.428 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ncccc2NC(C)=O)c1 ZINC001294937049 1329765526 /nfs/dbraw/zinc/76/55/26/1329765526.db2.gz NAOSEKSQFLPSTG-SNVBAGLBSA-N 0 0 329.356 2.245 10 10 EECERN CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)cc1 ZINC000901952276 1331528710 /nfs/dbraw/zinc/52/87/10/1331528710.db2.gz QIUTWHLVXXGZTM-APWZRJJASA-N 0 0 332.444 2.456 10 10 EECERN C/C=C\C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001329511430 1334665803 /nfs/dbraw/zinc/66/58/03/1334665803.db2.gz RLROTRAJZWBFRL-SFAKSCPVSA-N 0 0 328.412 2.439 10 10 EECERN Cc1cc(CC(=O)NCCc2nncn2C)c(C)n1-c1ccccc1 ZINC001330281417 1334817510 /nfs/dbraw/zinc/81/75/10/1334817510.db2.gz VZDLSKQWYSLZDH-UHFFFAOYSA-N 0 0 337.427 2.124 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@]23C[C@@H]2CCCC3)cc1 ZINC001333043185 1335953424 /nfs/dbraw/zinc/95/34/24/1335953424.db2.gz AYEWPZPRIBPNAR-HNAYVOBHSA-N 0 0 329.444 2.065 10 10 EECERN CCOC(=O)C1(NCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC001333139431 1335969286 /nfs/dbraw/zinc/96/92/86/1335969286.db2.gz RKRKGTCTWOZQLT-UHFFFAOYSA-N 0 0 332.444 2.489 10 10 EECERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCNC2=O)c1 ZINC001347878930 1337525175 /nfs/dbraw/zinc/52/51/75/1337525175.db2.gz OUEZPDIJJSSBEX-HNNXBMFYSA-N 0 0 331.803 2.366 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccn(CCC(F)(F)F)n1 ZINC001350315050 1337694739 /nfs/dbraw/zinc/69/47/39/1337694739.db2.gz JXQUBXCCYZIPSZ-UHFFFAOYSA-N 0 0 329.278 2.177 10 10 EECERN CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1Cl)C1CCOCC1 ZINC000849307914 1339152008 /nfs/dbraw/zinc/15/20/08/1339152008.db2.gz AJTAISQUIJWPCO-AWEZNQCLSA-N 0 0 349.836 2.229 10 10 EECERN COc1ccc(N2CC[C@H](N3C(=O)N(C)C4(CCCC4)C3=O)C2)cc1 ZINC000849357355 1339154248 /nfs/dbraw/zinc/15/42/48/1339154248.db2.gz LYNRRGOUOSEEIJ-HNNXBMFYSA-N 0 0 343.427 2.481 10 10 EECERN Cc1ccn2ncc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2c1 ZINC001611432186 1352300757 /nfs/dbraw/zinc/30/07/57/1352300757.db2.gz XJRJYYXZWKMFBU-GFCCVEGCSA-N 0 0 325.368 2.415 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(Cc2cccs2)CC1 ZINC001618774939 1352353265 /nfs/dbraw/zinc/35/32/65/1352353265.db2.gz FLGXLWUIUSGFPV-UHFFFAOYSA-N 0 0 332.425 2.046 10 10 EECERN O=C(Cc1nc(C(F)(F)F)cs1)NCc1ccc(O)cc1O ZINC001557085389 1342440314 /nfs/dbraw/zinc/44/03/14/1342440314.db2.gz LBAHETWGCQKXGP-UHFFFAOYSA-N 0 0 332.303 2.432 10 10 EECERN COc1cccc2c(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cnn21 ZINC001624955205 1352435646 /nfs/dbraw/zinc/43/56/46/1352435646.db2.gz UNSREBYCGCXMMW-NSHDSACASA-N 0 0 341.367 2.115 10 10 EECERN C[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)OCCc2sccc21 ZINC001625591585 1352452936 /nfs/dbraw/zinc/45/29/36/1352452936.db2.gz GOEVFXYWOJFNPB-QGZVFWFLSA-N 0 0 333.409 2.306 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001627610044 1352503622 /nfs/dbraw/zinc/50/36/22/1352503622.db2.gz RZYOCRAVWHOFAK-CXAGYDPISA-N 0 0 328.368 2.072 10 10 EECERN CCn1ncc2cc(C(=O)NCc3cc(O)ccc3O)c(C)nc21 ZINC001644754257 1352767955 /nfs/dbraw/zinc/76/79/55/1352767955.db2.gz TZFABWHKBXZRQC-UHFFFAOYSA-N 0 0 326.356 2.101 10 10 EECERN COCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccnc1 ZINC001644762513 1352768621 /nfs/dbraw/zinc/76/86/21/1352768621.db2.gz CYYVYWKVRABATL-KEDPEKRHSA-N 0 0 328.368 2.400 10 10 EECERN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1c(O)cccc1O ZINC001645363540 1352777019 /nfs/dbraw/zinc/77/70/19/1352777019.db2.gz ZOTLCGGNBLXRDM-LLVKDONJSA-N 0 0 338.404 2.360 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccn(CCc2ccccc2)n1 ZINC001647269805 1353213552 /nfs/dbraw/zinc/21/35/52/1353213552.db2.gz LOAWTHYOGZMDGI-UHFFFAOYSA-N 0 0 337.379 2.467 10 10 EECERN Nc1nc(Cl)c(N)c(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC001651344391 1354049713 /nfs/dbraw/zinc/04/97/13/1354049713.db2.gz BDWZQQVLLIHIAC-UHFFFAOYSA-N 0 0 341.806 2.464 10 10 EECERN Cc1c(C(=O)NCc2c(O)cccc2O)nnn1-c1cccc(C)c1 ZINC001652623323 1354097148 /nfs/dbraw/zinc/09/71/48/1354097148.db2.gz TWAPMEGNAVQDFT-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN COC(=O)[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001685247606 1358314959 /nfs/dbraw/zinc/31/49/59/1358314959.db2.gz ZSLFTHZOGNALDD-NVXWUHKLSA-N 0 0 345.443 2.237 10 10 EECERN CCCC1(C(=O)NCCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001686723337 1358461598 /nfs/dbraw/zinc/46/15/98/1358461598.db2.gz AQTXDNLELCDPEW-UHFFFAOYSA-N 0 0 345.403 2.275 10 10 EECERN C=CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000783029532 765025827 /nfs/dbraw/zinc/02/58/27/765025827.db2.gz RDYJYQKZRHFYLT-UHFFFAOYSA-N 0 0 341.319 2.262 10 10 EECERN CC[C@@H](NC(=O)NCCCSc1nccs1)[C@@H](O)C(F)F ZINC000838512985 781098171 /nfs/dbraw/zinc/09/81/71/781098171.db2.gz BYSMWQNTCHVMPO-RKDXNWHRSA-N 0 0 339.433 2.329 10 10 EECERN COc1ccc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)c(O)c1 ZINC000907925505 784969742 /nfs/dbraw/zinc/96/97/42/784969742.db2.gz HXGLGHSYXDGTRA-JTQLQIEISA-N 0 0 342.606 2.138 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(cn2)OCCO3)c1 ZINC000819397697 785529242 /nfs/dbraw/zinc/52/92/42/785529242.db2.gz DSBKEAMZSPLGCN-JTQLQIEISA-N 0 0 330.340 2.058 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000819756310 785672041 /nfs/dbraw/zinc/67/20/41/785672041.db2.gz RUYUKLZOFRLXQH-UHFFFAOYSA-N 0 0 343.383 2.389 10 10 EECERN COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000822084055 787025973 /nfs/dbraw/zinc/02/59/73/787025973.db2.gz ZVZIXAQNWDBJNW-UKPHBRMFSA-N 0 0 348.443 2.288 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc(N3CCC3)nc2)cc1F ZINC000822861589 787441243 /nfs/dbraw/zinc/44/12/43/787441243.db2.gz BRFJROLDQBZTJC-UHFFFAOYSA-N 0 0 328.391 2.427 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H](C)[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000913482808 788932613 /nfs/dbraw/zinc/93/26/13/788932613.db2.gz XFSNRGYHCHYSOT-PBHICJAKSA-N 0 0 348.443 2.168 10 10 EECERN COc1ccc(N(C)Cc2nc(-c3cc(OC)ncn3)no2)cc1 ZINC000844355776 789039017 /nfs/dbraw/zinc/03/90/17/789039017.db2.gz SSWLKOPILHSSTL-UHFFFAOYSA-N 0 0 327.344 2.180 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)COCc2cc(C)no2)cc1 ZINC000844856770 789402195 /nfs/dbraw/zinc/40/21/95/789402195.db2.gz UMWZYEACELLQQK-UHFFFAOYSA-N 0 0 347.415 2.103 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCOC[C@H]2C)cc1 ZINC000845153566 789611245 /nfs/dbraw/zinc/61/12/45/789611245.db2.gz RVLMYAALBUQMQJ-RHSMWYFYSA-N 0 0 335.448 2.198 10 10 EECERN Cc1nn(C)c(Cl)c1CN(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000846026379 790027556 /nfs/dbraw/zinc/02/75/56/790027556.db2.gz VCMVHPOALUVDGF-ALCCZGGFSA-N 0 0 335.791 2.465 10 10 EECERN Cc1ccc(C(=O)NC[C@@]2(CO)CCc3ccccc32)c(O)c1O ZINC000846344629 790140031 /nfs/dbraw/zinc/14/00/31/790140031.db2.gz SMRFLWROIDFZDK-LJQANCHMSA-N 0 0 327.380 2.013 10 10 EECERN Cc1cc(C)cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC001148594834 792579165 /nfs/dbraw/zinc/57/91/65/792579165.db2.gz URTMUJZKFVTQDB-UHFFFAOYSA-N 0 0 348.424 2.311 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccnn1C1CCC1 ZINC000914119514 794923892 /nfs/dbraw/zinc/92/38/92/794923892.db2.gz KQGBHGFQNHQFRT-UHFFFAOYSA-N 0 0 348.472 2.461 10 10 EECERN O=S(=O)(CC1(F)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000914138576 794976499 /nfs/dbraw/zinc/97/64/99/794976499.db2.gz ZCZMMCSZPIUSJJ-CQSZACIVSA-N 0 0 343.420 2.205 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)CC1(F)CC1 ZINC000916371510 797589323 /nfs/dbraw/zinc/58/93/23/797589323.db2.gz NQMZMDHUTPSQHU-ZDUSSCGKSA-N 0 0 328.453 2.414 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccccc1Cn1ccnn1 ZINC001178413741 799467653 /nfs/dbraw/zinc/46/76/53/799467653.db2.gz YIBSHQZHMUOMNG-UHFFFAOYSA-N 0 0 326.331 2.101 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3CC=C[C@@H]3CO)c2C)cc1 ZINC000922259392 800122729 /nfs/dbraw/zinc/12/27/29/800122729.db2.gz HYKXRATVGGEXTP-MRXNPFEDSA-N 0 0 326.396 2.476 10 10 EECERN CCn1nccc1CN(CCO)Cc1cc(Cl)cc(OC)c1O ZINC000793307599 810245667 /nfs/dbraw/zinc/24/56/67/810245667.db2.gz POSHTAOIJQFARR-UHFFFAOYSA-N 0 0 339.823 2.265 10 10 EECERN C[C@@H](OCC(=O)NCc1ccc2c(c1)CCCN2C)c1nccn1C ZINC000805171530 811170743 /nfs/dbraw/zinc/17/07/43/811170743.db2.gz NDJQKKBLVMGAFY-CQSZACIVSA-N 0 0 342.443 2.197 10 10 EECERN Cc1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000807674417 812302102 /nfs/dbraw/zinc/30/21/02/812302102.db2.gz KOCNIHJBETUKJQ-AWEZNQCLSA-N 0 0 343.427 2.490 10 10 EECERN COc1ccc(-c2cc3ncn(CC(=O)C(C)=O)c(=O)c3s2)cc1 ZINC000808019573 812420941 /nfs/dbraw/zinc/42/09/41/812420941.db2.gz UFNHYEKUMCYKLZ-UHFFFAOYSA-N 0 0 342.376 2.292 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000808515809 812687119 /nfs/dbraw/zinc/68/71/19/812687119.db2.gz PFERNQXTQTUCTA-UHFFFAOYSA-N 0 0 342.229 2.070 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(c2cc(F)ccc2F)CC1 ZINC001566247351 1125592094 /nfs/dbraw/zinc/59/20/94/1125592094.db2.gz GUSZSBLHLQFABB-UHFFFAOYSA-N 0 0 348.349 2.267 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC001445941382 1091878362 /nfs/dbraw/zinc/87/83/62/1091878362.db2.gz XNDFSSZVRUEMNN-CQSZACIVSA-N 0 0 335.787 2.186 10 10 EECERN COc1ccc(COCCC(=O)NCc2c(O)cccc2O)cc1 ZINC001456235880 1109118378 /nfs/dbraw/zinc/11/83/78/1109118378.db2.gz PDWXECNFIRMWOY-UHFFFAOYSA-N 0 0 331.368 2.330 10 10 EECERN COC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2O)c(O)c(OC)c1 ZINC001456740820 1109282307 /nfs/dbraw/zinc/28/23/07/1109282307.db2.gz AIXCECULEQQNIM-UHFFFAOYSA-N 0 0 347.323 2.159 10 10 EECERN CC(=O)Nc1ccc(C(=O)NCCCSc2nccs2)nc1 ZINC001464897683 1110407098 /nfs/dbraw/zinc/40/70/98/1110407098.db2.gz AMYUFFCPYYHXFX-UHFFFAOYSA-N 0 0 336.442 2.409 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(N)ncnc3c2)c1 ZINC001465991932 1110427740 /nfs/dbraw/zinc/42/77/40/1110427740.db2.gz HFKPGDRAIUKPIW-SNVBAGLBSA-N 0 0 338.367 2.417 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1noc(-c2cccs2)n1 ZINC001467796518 1110463830 /nfs/dbraw/zinc/46/38/30/1110463830.db2.gz CDLVSKADYDKHKF-UHFFFAOYSA-N 0 0 331.353 2.068 10 10 EECERN CCN1C[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1=O ZINC001468283370 1110471878 /nfs/dbraw/zinc/47/18/78/1110471878.db2.gz GYZWYRVTYIKWBR-INIZCTEOSA-N 0 0 325.412 2.445 10 10 EECERN CC(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC001469161111 1110486081 /nfs/dbraw/zinc/48/60/81/1110486081.db2.gz HGXVQSMRXQEOMR-UHFFFAOYSA-N 0 0 349.408 2.210 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001469159739 1110486138 /nfs/dbraw/zinc/48/61/38/1110486138.db2.gz MGRZSQGWFDGFLR-UHFFFAOYSA-N 0 0 339.307 2.484 10 10 EECERN O=C(NCCc1ccc2c[nH]nc2c1)NCc1c(O)cccc1F ZINC001470140001 1110502073 /nfs/dbraw/zinc/50/20/73/1110502073.db2.gz ZMWXUOOXSPILRS-UHFFFAOYSA-N 0 0 328.347 2.450 10 10 EECERN Cn1cc([C@@H]2CSCCCN2C(=O)Cc2ccc(O)c(O)c2)cn1 ZINC001472138682 1110546620 /nfs/dbraw/zinc/54/66/20/1110546620.db2.gz JJWIEFDKNDRLPP-AWEZNQCLSA-N 0 0 347.440 2.081 10 10 EECERN CNC(=O)[C@@H]1CN(C(=O)/C(C)=C/c2cccnc2)c2ccccc2O1 ZINC001523461330 1119797601 /nfs/dbraw/zinc/79/76/01/1119797601.db2.gz KDORMWKJCNYNFQ-RTGRKSDTSA-N 0 0 337.379 2.025 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(F)c(-c2nnc[nH]2)c1 ZINC001568296270 1124410050 /nfs/dbraw/zinc/41/00/50/1124410050.db2.gz UAHLLXICKVLGKU-UHFFFAOYSA-N 0 0 328.303 2.203 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(c2cccc(F)c2F)CC1 ZINC001568508657 1124564946 /nfs/dbraw/zinc/56/49/46/1124564946.db2.gz SBHAOMXQZDSCNC-UHFFFAOYSA-N 0 0 348.349 2.267 10 10 EECERN Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c(C)n1-c1ccccn1 ZINC000071185957 215741153 /nfs/dbraw/zinc/74/11/53/215741153.db2.gz JOQBLYHSCSLHJF-UHFFFAOYSA-N 0 0 336.399 2.045 10 10 EECERN C[C@H]1CC[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000091989945 237029619 /nfs/dbraw/zinc/02/96/19/237029619.db2.gz ALHAJBGLRROAKZ-QWRGUYRKSA-N 0 0 326.418 2.024 10 10 EECERN O=C(c1cccc(O)c1O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000193043553 237363637 /nfs/dbraw/zinc/36/36/37/237363637.db2.gz AZMSYPPHTQNSGN-NSHDSACASA-N 0 0 328.372 2.044 10 10 EECERN CCOc1cccc(CN2CCO[C@@H](c3n[nH]c(CC)n3)C2)c1O ZINC000129218755 462695642 /nfs/dbraw/zinc/69/56/42/462695642.db2.gz BTYXZPZSGJQZRI-CQSZACIVSA-N 0 0 332.404 2.045 10 10 EECERN COc1cccc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c1O ZINC000122616736 463279633 /nfs/dbraw/zinc/27/96/33/463279633.db2.gz VVJPAYAZSXHOCG-INIZCTEOSA-N 0 0 331.416 2.115 10 10 EECERN COc1ccc(O)c(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c1 ZINC000180130693 464248693 /nfs/dbraw/zinc/24/86/93/464248693.db2.gz IKMKQWCTOTXEFY-QGZVFWFLSA-N 0 0 331.416 2.115 10 10 EECERN Cc1cc(C(=O)N2CC[C@H](NC(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000270634178 464262105 /nfs/dbraw/zinc/26/21/05/464262105.db2.gz LZKLGYKSVQXCLA-AWEZNQCLSA-N 0 0 344.390 2.116 10 10 EECERN COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294509061 464521739 /nfs/dbraw/zinc/52/17/39/464521739.db2.gz BYJSIHCMXJKIQV-WCQYABFASA-N 0 0 347.814 2.031 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1ccc(C)o1)cc2=O ZINC000182564751 464684520 /nfs/dbraw/zinc/68/45/20/464684520.db2.gz QAARIKMGHXSZAW-LLVKDONJSA-N 0 0 344.371 2.364 10 10 EECERN Cc1ccc(C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)c(O)c1O ZINC000182588621 464688784 /nfs/dbraw/zinc/68/87/84/464688784.db2.gz RTXOHQZZDMDOEP-LBPRGKRZSA-N 0 0 330.388 2.386 10 10 EECERN CO[C@@H](C)c1noc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)n1 ZINC000267461560 464933635 /nfs/dbraw/zinc/93/36/35/464933635.db2.gz SFYSNGVHIYCDDC-JTQLQIEISA-N 0 0 337.351 2.456 10 10 EECERN COc1cc(O)c(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1OC ZINC000372391163 466347713 /nfs/dbraw/zinc/34/77/13/466347713.db2.gz DWJNNXCRNFZZPO-SQWLQELKSA-N 0 0 337.416 2.178 10 10 EECERN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000362076641 466536491 /nfs/dbraw/zinc/53/64/91/466536491.db2.gz HOHHXVAOTGBXMA-LRDDRELGSA-N 0 0 334.391 2.225 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CC(F)(F)C[C@@H]2CO)cc1 ZINC000368702296 466695258 /nfs/dbraw/zinc/69/52/58/466695258.db2.gz TTWNEIOPXILROH-OAHLLOKOSA-N 0 0 341.402 2.444 10 10 EECERN COc1c([O-])c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000365496473 466838330 /nfs/dbraw/zinc/83/83/30/466838330.db2.gz UUJLFEJKGPMQIH-GFCCVEGCSA-N 0 0 344.371 2.479 10 10 EECERN CN(C)c1ccc(CN2CCCc3c2cccc3S(N)(=O)=O)cc1 ZINC000365517538 466843748 /nfs/dbraw/zinc/84/37/48/466843748.db2.gz TWBMLMBNCZAOLI-UHFFFAOYSA-N 0 0 345.468 2.353 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000377094619 467025174 /nfs/dbraw/zinc/02/51/74/467025174.db2.gz WOFYDPGTEBHQTB-LQPUYASZSA-N 0 0 332.356 2.254 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@]1(C)Br ZINC000528994756 467790788 /nfs/dbraw/zinc/79/07/88/467790788.db2.gz CFRODOAOUXKMEW-PWZJLYFZSA-N 0 0 328.206 2.319 10 10 EECERN Cc1[nH]nc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000734427777 577295968 /nfs/dbraw/zinc/29/59/68/577295968.db2.gz ZFKCQOMMNFAFGO-AWEZNQCLSA-N 0 0 328.416 2.354 10 10 EECERN C[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1ccc(N(C)C)cc1 ZINC000773023991 577310920 /nfs/dbraw/zinc/31/09/20/577310920.db2.gz ZDDBZFKCZZHTNK-WWTUQBGBSA-N 0 0 330.428 2.172 10 10 EECERN C[C@H](NC(=O)C(=O)NCc1ccc(Cl)o1)c1ccc(N(C)C)cc1 ZINC000775227575 577433149 /nfs/dbraw/zinc/43/31/49/577433149.db2.gz GXDMPVPPOZDRCV-NSHDSACASA-N 0 0 349.818 2.493 10 10 EECERN CCC1(CC)CN(Cc2cc(C)cc(OC)c2O)CCS1(=O)=O ZINC000777579771 577482334 /nfs/dbraw/zinc/48/23/34/577482334.db2.gz HSQRYHAFPJHRQE-UHFFFAOYSA-N 0 0 341.473 2.498 10 10 EECERN CC(C)(C)n1nnnc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000766815768 577525238 /nfs/dbraw/zinc/52/52/38/577525238.db2.gz YGYJHMWJVQHYAQ-HNNXBMFYSA-N 0 0 345.447 2.315 10 10 EECERN CNC(=O)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768907565 577565507 /nfs/dbraw/zinc/56/55/07/577565507.db2.gz ZZWRXTIVAGGPOA-INIZCTEOSA-N 0 0 346.431 2.296 10 10 EECERN CN(C)c1ccc(CNC(=O)Cn2ccc(Br)n2)cc1 ZINC000769260474 577573462 /nfs/dbraw/zinc/57/34/62/577573462.db2.gz LSZXAZKNZGRSIO-UHFFFAOYSA-N 0 0 337.221 2.028 10 10 EECERN Cc1cc(C(=O)NC[C@@H](O)c2ccccn2)c(C)n1-c1ccccn1 ZINC000749558391 577978090 /nfs/dbraw/zinc/97/80/90/577978090.db2.gz IQHIWLUTESSFSC-QGZVFWFLSA-N 0 0 336.395 2.348 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCC[S@@](=O)CC)cc1 ZINC000735092329 578133856 /nfs/dbraw/zinc/13/38/56/578133856.db2.gz DFMWATINKYBAGO-QFIPXVFZSA-N 0 0 325.478 2.101 10 10 EECERN Cc1ccc(C(=O)NCCc2csc(N3CCCC3)n2)c(O)c1O ZINC000177685814 681450893 /nfs/dbraw/zinc/45/08/93/681450893.db2.gz LIDHEUABMJHDLT-UHFFFAOYSA-N 0 0 347.440 2.435 10 10 EECERN Cc1cc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)nn1C ZINC000914180647 683339034 /nfs/dbraw/zinc/33/90/34/683339034.db2.gz UBHXOLKSFAFDBH-UHFFFAOYSA-N 0 0 341.459 2.371 10 10 EECERN COC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000914336082 683512262 /nfs/dbraw/zinc/51/22/62/683512262.db2.gz XUNJSMFTJGAGKG-QGZVFWFLSA-N 0 0 349.475 2.241 10 10 EECERN COc1cc(N(C)Cc2nsc(N(C)C)n2)cc(OC)c1OC ZINC000153360863 683974835 /nfs/dbraw/zinc/97/48/35/683974835.db2.gz VKCJCGOYIYLBTF-UHFFFAOYSA-N 0 0 338.433 2.266 10 10 EECERN Cc1nnc(CN2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)[nH]1 ZINC000895263451 684407731 /nfs/dbraw/zinc/40/77/31/684407731.db2.gz ULQLRTQYAYFDFC-SNAWJCMRSA-N 0 0 340.475 2.010 10 10 EECERN COC(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000895847828 684747258 /nfs/dbraw/zinc/74/72/58/684747258.db2.gz IFXJRMZSGPJKNF-NSHDSACASA-N 0 0 343.221 2.393 10 10 EECERN COc1ccc(N2CCCN(C(=O)[C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000194099921 684905762 /nfs/dbraw/zinc/90/57/62/684905762.db2.gz FFMXKMLEZUGXOC-YJBOKZPZSA-N 0 0 332.444 2.407 10 10 EECERN Cc1nsc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000794734413 1197941601 /nfs/dbraw/zinc/94/16/01/1197941601.db2.gz FUGPUCLMKVSUAL-NSHDSACASA-N 0 0 332.429 2.174 10 10 EECERN CCOC1CC2(C[C@@H]2N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000871916750 1197971257 /nfs/dbraw/zinc/97/12/57/1197971257.db2.gz WREASIOASHWQLX-DBQDNQAGSA-N 0 0 330.384 2.114 10 10 EECERN O[C@H](CNc1ccccc1OCC(F)F)CC1(O)CCOCC1 ZINC000872212738 1198089718 /nfs/dbraw/zinc/08/97/18/1198089718.db2.gz ZNEPEJVOQGYYKL-LBPRGKRZSA-N 0 0 331.359 2.035 10 10 EECERN COC(=O)c1cc(OCC(=O)N2CCCC[C@@H]2C)ccc1N(C)C ZINC000865396695 1198196081 /nfs/dbraw/zinc/19/60/81/1198196081.db2.gz ZJOUINRSEJQPLF-ZDUSSCGKSA-N 0 0 334.416 2.319 10 10 EECERN O=C(CSc1nnnn1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871198715 1201095717 /nfs/dbraw/zinc/09/57/17/1201095717.db2.gz NOPKMTMOWNBERJ-UHFFFAOYSA-N 0 0 345.428 2.128 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccn(C2CC2)c1=O ZINC000866205346 1201463946 /nfs/dbraw/zinc/46/39/46/1201463946.db2.gz DCTRFMVWLLGNIX-UHFFFAOYSA-N 0 0 339.395 2.288 10 10 EECERN COCCOc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000867690007 1201660162 /nfs/dbraw/zinc/66/01/62/1201660162.db2.gz QIEXLGWKRQUYAA-UHFFFAOYSA-N 0 0 349.408 2.122 10 10 EECERN O=C(NCC[C@@H]1CCSC1)NCc1ccc(N2CCOCC2)cc1 ZINC000868130127 1201749527 /nfs/dbraw/zinc/74/95/27/1201749527.db2.gz KEQPEYBSUCTDSD-MRXNPFEDSA-N 0 0 349.500 2.466 10 10 EECERN CN(C)c1ccc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 ZINC000133537677 1202207007 /nfs/dbraw/zinc/20/70/07/1202207007.db2.gz PQXAEIXGECBAHB-LJQANCHMSA-N 0 0 345.487 2.356 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](C[C@@H]2CCCO2)C1=O ZINC000924670949 1206014813 /nfs/dbraw/zinc/01/48/13/1206014813.db2.gz JEIKZSIHUQOQRE-HOTGVXAUSA-N 0 0 331.416 2.051 10 10 EECERN COC(=O)/C(C)=C\CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000927981625 1206323060 /nfs/dbraw/zinc/32/30/60/1206323060.db2.gz FUADTNGIDLDIQC-WQLSENKSSA-N 0 0 327.384 2.338 10 10 EECERN COC(=O)/C(C)=C/CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000927981627 1206323215 /nfs/dbraw/zinc/32/32/15/1206323215.db2.gz FUADTNGIDLDIQC-XYOKQWHBSA-N 0 0 327.384 2.338 10 10 EECERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928711182 1206414043 /nfs/dbraw/zinc/41/40/43/1206414043.db2.gz GLGRADWXQHSGCV-STQMWFEESA-N 0 0 336.407 2.432 10 10 EECERN CCN(CC)c1ccc(CN(C)CC(=O)Nc2cccnn2)cc1 ZINC000929184912 1206454563 /nfs/dbraw/zinc/45/45/63/1206454563.db2.gz NQPRWPWINHEZBM-UHFFFAOYSA-N 0 0 327.432 2.393 10 10 EECERN O=C(C[C@H]1CC[C@@H](C2CC2)O1)NCc1ccc(N2CCOCC2)cc1 ZINC000930522916 1206564475 /nfs/dbraw/zinc/56/44/75/1206564475.db2.gz KKVVPTBMAFXBSQ-MOPGFXCFSA-N 0 0 344.455 2.487 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NCc1cc(C(N)=O)co1 ZINC000187985653 1208583984 /nfs/dbraw/zinc/58/39/84/1208583984.db2.gz ZBTMOLDDRLPZIO-UHFFFAOYSA-N 0 0 331.372 2.206 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)c1nc2ccccc2c(=O)[nH]1 ZINC000075504071 1208732648 /nfs/dbraw/zinc/73/26/48/1208732648.db2.gz GODCJDSMELDFLJ-UHFFFAOYSA-N 0 0 349.390 2.438 10 10 EECERN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(C)c(C)cc1O ZINC000191546658 1210272013 /nfs/dbraw/zinc/27/20/13/1210272013.db2.gz XCFUGXJRTKHXLC-UHFFFAOYSA-N 0 0 346.452 2.480 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000115280494 1227745495 /nfs/dbraw/zinc/74/54/95/1227745495.db2.gz YEIVTWPOFFCTDD-QGZVFWFLSA-N 0 0 331.460 2.324 10 10 EECERN O=C(CC(F)(F)C(F)F)NCc1ccc(N2CCOCC2)cc1 ZINC000900338284 1234235350 /nfs/dbraw/zinc/23/53/50/1234235350.db2.gz ULGIPVDICLNVJT-UHFFFAOYSA-N 0 0 334.313 2.430 10 10 EECERN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826846497 1248089312 /nfs/dbraw/zinc/08/93/12/1248089312.db2.gz VQFOAESVKNTPDU-LLVKDONJSA-N 0 0 337.221 2.268 10 10 EECERN Nc1ccc(CCNC(=O)C(=O)N2CCCC[C@H]2CC2CCC2)cc1 ZINC000851688369 1277718287 /nfs/dbraw/zinc/71/82/87/1277718287.db2.gz YHQQDNOZPXIRTE-SFHVURJKSA-N 0 0 343.471 2.499 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCc3ccco3)C2)cc1 ZINC000851911115 1291913249 /nfs/dbraw/zinc/91/32/49/1291913249.db2.gz USYWCKNLULMAKC-AWEZNQCLSA-N 0 0 329.400 2.409 10 10 EECERN C[C@@]12COC[C@@H]1CN(C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000851986477 1291943566 /nfs/dbraw/zinc/94/35/66/1291943566.db2.gz ASSILAFGMSQDRP-QFBILLFUSA-N 0 0 329.444 2.465 10 10 EECERN C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)O1 ZINC000852004623 1291949775 /nfs/dbraw/zinc/94/97/75/1291949775.db2.gz ITNWMDUYDPFYCQ-CRAIPNDOSA-N 0 0 347.459 2.280 10 10 EECERN CO[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000852261776 1292069547 /nfs/dbraw/zinc/06/95/47/1292069547.db2.gz VIIVTIHSEUJUAK-JLJPHGGASA-N 0 0 335.448 2.164 10 10 EECERN CC1(C)SC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852313739 1292087578 /nfs/dbraw/zinc/08/75/78/1292087578.db2.gz MFGPOBRXBIUWNW-MRXNPFEDSA-N 0 0 349.500 2.341 10 10 EECERN CCC[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC ZINC000852361621 1292099161 /nfs/dbraw/zinc/09/91/61/1292099161.db2.gz FSSZDHOGLAOQPW-YOEHRIQHSA-N 0 0 335.448 2.388 10 10 EECERN Cc1cncc(CCNC(=O)NCCCSc2nccs2)n1 ZINC000853858540 1292492926 /nfs/dbraw/zinc/49/29/26/1292492926.db2.gz OELONGVDGKKMBR-UHFFFAOYSA-N 0 0 337.474 2.266 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(F)cn3)C2)cc1 ZINC000853866723 1292498130 /nfs/dbraw/zinc/49/81/30/1292498130.db2.gz KAYDLRQEUFYXGY-HNNXBMFYSA-N 0 0 344.390 2.307 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@]3(C)CCO[C@@H]3C)C2)cc1 ZINC000854298354 1292709979 /nfs/dbraw/zinc/70/99/79/1292709979.db2.gz AZKIDRDJUCCGKB-QWQRMKEZSA-N 0 0 333.432 2.141 10 10 EECERN CC[C@@]1(CO)CCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299312 1292710124 /nfs/dbraw/zinc/71/01/24/1292710124.db2.gz NQTYUFHMBPXVEX-KXBFYZLASA-N 0 0 347.459 2.220 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@]34C[C@H]3COC4(C)C)C2)cc1 ZINC000855225648 1293117911 /nfs/dbraw/zinc/11/79/11/1293117911.db2.gz PMXAIWNWKNJQTH-NJSLBKSFSA-N 0 0 330.428 2.205 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)Oc3ccccn3)C2)cc1 ZINC000855226281 1293119046 /nfs/dbraw/zinc/11/90/46/1293119046.db2.gz QYAYFCSENDTDRO-GJZGRUSLSA-N 0 0 341.411 2.253 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc[nH]c3=S)C2)cc1 ZINC000855230846 1293120648 /nfs/dbraw/zinc/12/06/48/1293120648.db2.gz FHDGDIMSDOQGCF-LBPRGKRZSA-N 0 0 329.425 2.388 10 10 EECERN COCc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000855230192 1293121126 /nfs/dbraw/zinc/12/11/26/1293121126.db2.gz UMAPDWAUVBPPBF-ZDUSSCGKSA-N 0 0 330.384 2.443 10 10 EECERN CCOc1cccnc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231098 1293121903 /nfs/dbraw/zinc/12/19/03/1293121903.db2.gz JSAUIDDHFXBMAN-CQSZACIVSA-N 0 0 341.411 2.498 10 10 EECERN C/C=C\CNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000858888546 1294253575 /nfs/dbraw/zinc/25/35/75/1294253575.db2.gz NXUGIOQLWSNAIR-WAYWQWQTSA-N 0 0 349.431 2.120 10 10 EECERN COC[C@@]1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1 ZINC000860198976 1294861557 /nfs/dbraw/zinc/86/15/57/1294861557.db2.gz INQKRZAXWAMHNV-MRXNPFEDSA-N 0 0 327.808 2.486 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1COc2cc(F)ccc2C1 ZINC000860234871 1294883775 /nfs/dbraw/zinc/88/37/75/1294883775.db2.gz LTQLSBNZKVBWPV-ZDUSSCGKSA-N 0 0 331.343 2.147 10 10 EECERN COc1cccc(CNC(=O)Cn2cc(C)c(C(F)(F)F)n2)c1O ZINC000860241119 1294889086 /nfs/dbraw/zinc/88/90/86/1294889086.db2.gz OJBKJQGWZCOEJV-UHFFFAOYSA-N 0 0 343.305 2.241 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000860328213 1294927269 /nfs/dbraw/zinc/92/72/69/1294927269.db2.gz MVWHQUXANHKZDW-DDTOSNHZSA-N 0 0 337.169 2.036 10 10 EECERN Cc1nc2sccn2c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000860697017 1295067700 /nfs/dbraw/zinc/06/77/00/1295067700.db2.gz LKGACQYWADCXLX-VIFPVBQESA-N 0 0 331.397 2.476 10 10 EECERN Nc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000861529487 1295439915 /nfs/dbraw/zinc/43/99/15/1295439915.db2.gz JRBUKARXMNYBGL-JCGIZDLHSA-N 0 0 335.407 2.469 10 10 EECERN Cc1cc(C(=O)NC[C@@H]2COCCN2C)c(C)n1-c1cccc(C)c1 ZINC000862970616 1296051373 /nfs/dbraw/zinc/05/13/73/1296051373.db2.gz BNXRQVLYBUVJML-GOSISDBHSA-N 0 0 341.455 2.463 10 10 EECERN CN(C)c1ccc(CN2C(=O)N[C@H](C[C@@H]3CCCOC3)C2=O)cc1F ZINC000863503094 1296311446 /nfs/dbraw/zinc/31/14/46/1296311446.db2.gz YIDAEUDYAFZXEI-DZGCQCFKSA-N 0 0 349.406 2.129 10 10 EECERN C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000863651162 1296366629 /nfs/dbraw/zinc/36/66/29/1296366629.db2.gz HYGYTOVIYBDEOR-GASCZTMLSA-N 0 0 325.796 2.385 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)cc1 ZINC000864469939 1296553433 /nfs/dbraw/zinc/55/34/33/1296553433.db2.gz CMSOFUPBGSEGSY-RBUKOAKNSA-N 0 0 344.455 2.407 10 10 EECERN O=C(NCCCSc1nccs1)NCC[C@@H](O)C(F)(F)F ZINC000798438310 1304999473 /nfs/dbraw/zinc/99/94/73/1304999473.db2.gz YZPZJAGJWACXAH-MRVPVSSYSA-N 0 0 343.396 2.238 10 10 EECERN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C(=O)O1 ZINC001248370693 1310896823 /nfs/dbraw/zinc/89/68/23/1310896823.db2.gz GTVNGFOXNOOYOW-XJKSGUPXSA-N 0 0 331.416 2.132 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)CCc3cc(C)n[nH]3)C2)cc1 ZINC001162718357 1320939195 /nfs/dbraw/zinc/93/91/95/1320939195.db2.gz IOELRDTXMPFXTN-HNNXBMFYSA-N 0 0 342.443 2.302 10 10 EECERN Cc1cc(C(=O)CN2CCO[C@H]([C@H](C)O)C2)c(C)n1-c1ccccc1 ZINC000839671197 1315229206 /nfs/dbraw/zinc/22/92/06/1315229206.db2.gz KKNQLMYFTOQVHG-JXFKEZNVSA-N 0 0 342.439 2.358 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1ccc[nH]1 ZINC001142690705 1315705411 /nfs/dbraw/zinc/70/54/11/1315705411.db2.gz NHBSLLPGJGOKKV-MDZDMXLPSA-N 0 0 328.368 2.325 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1 ZINC000842920573 1315798952 /nfs/dbraw/zinc/79/89/52/1315798952.db2.gz SAFZWRSDFHWLPA-KZULUSFZSA-N 0 0 337.416 2.007 10 10 EECERN CN(c1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001149118552 1315927524 /nfs/dbraw/zinc/92/75/24/1315927524.db2.gz DZENGMJKKXMADA-INIZCTEOSA-N 0 0 326.396 2.378 10 10 EECERN O=C(Cc1nnc(C2CC2)[nH]1)NCc1c(O)ccc2c1CCCC2 ZINC001150386584 1316251471 /nfs/dbraw/zinc/25/14/71/1316251471.db2.gz KCRQSZJJYMGRHG-UHFFFAOYSA-N 0 0 326.400 2.125 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1sncc1Br ZINC001156559207 1318073384 /nfs/dbraw/zinc/07/33/84/1318073384.db2.gz LNNRWFXORJLYJC-UHFFFAOYSA-N 0 0 343.202 2.176 10 10 EECERN COc1cc(CCC(=O)NCc2c(O)cccc2O)cc(OC)c1O ZINC001156885315 1318262670 /nfs/dbraw/zinc/26/26/70/1318262670.db2.gz DFHOHCNKYFNMIF-UHFFFAOYSA-N 0 0 347.367 2.070 10 10 EECERN CC(=O)N1CCC(C(=O)NCc2c(O)ccc3ccccc32)CC1 ZINC001157036717 1318360089 /nfs/dbraw/zinc/36/00/89/1318360089.db2.gz GIULNCPSIKNKNQ-UHFFFAOYSA-N 0 0 326.396 2.420 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ncsc1Br ZINC001299572122 1319521146 /nfs/dbraw/zinc/52/11/46/1319521146.db2.gz BAHUZTFSFXRIDM-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN CNc1nccc(C(=O)NCc2cccc(Cl)c2O)c1[N+](=O)[O-] ZINC001159041585 1319574831 /nfs/dbraw/zinc/57/48/31/1319574831.db2.gz SZDXUXVQDOOXAO-UHFFFAOYSA-N 0 0 336.735 2.321 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001159269711 1319711639 /nfs/dbraw/zinc/71/16/39/1319711639.db2.gz ZKQCACPBFPSIJI-HZPDHXFCSA-N 0 0 338.407 2.235 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC2(C1)Oc1ccccc1O2 ZINC001160448205 1320164944 /nfs/dbraw/zinc/16/49/44/1320164944.db2.gz YYPYUWZHRNMHSG-UHFFFAOYSA-N 0 0 327.336 2.040 10 10 EECERN O=C(NCc1nc(-c2cccc(F)c2)no1)c1c(F)ccc(O)c1O ZINC001161235934 1320429674 /nfs/dbraw/zinc/42/96/74/1320429674.db2.gz VDCBJIPRHCXWAT-UHFFFAOYSA-N 0 0 347.277 2.356 10 10 EECERN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(O)cc1O ZINC001162278764 1320804192 /nfs/dbraw/zinc/80/41/92/1320804192.db2.gz LPQSTNPNCQKIPC-UHFFFAOYSA-N 0 0 332.312 2.335 10 10 EECERN C[C@H]1c2ccccc2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001261764915 1322173471 /nfs/dbraw/zinc/17/34/71/1322173471.db2.gz RGNRTKWFSLKOOD-AWEZNQCLSA-N 0 0 337.423 2.472 10 10 EECERN Cc1cc(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC001263960085 1322571644 /nfs/dbraw/zinc/57/16/44/1322571644.db2.gz DSERSFHSDQCTQW-IPELMVKDSA-N 0 0 342.439 2.407 10 10 EECERN COc1cnc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)nc1 ZINC001265741333 1323359145 /nfs/dbraw/zinc/35/91/45/1323359145.db2.gz MXJTWZIFOLDOQA-UHFFFAOYSA-N 0 0 346.350 2.447 10 10 EECERN CC[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284201729 1326458233 /nfs/dbraw/zinc/45/82/33/1326458233.db2.gz PFWSFTKIMLIHAM-MNOVXSKESA-N 0 0 333.392 2.130 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/[C@@H]1CCOC1 ZINC001290323722 1328175009 /nfs/dbraw/zinc/17/50/09/1328175009.db2.gz FYZPZDPIJCQOKY-BBOMDTFKSA-N 0 0 330.428 2.074 10 10 EECERN Cc1cccc2ncc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)n21 ZINC001296246105 1329877281 /nfs/dbraw/zinc/87/72/81/1329877281.db2.gz KZMLGFVNEBSBRX-LLVKDONJSA-N 0 0 325.368 2.415 10 10 EECERN CC(C)[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298626127 1330105731 /nfs/dbraw/zinc/10/57/31/1330105731.db2.gz QSDBASGDDIRJTK-VXGBXAGGSA-N 0 0 347.419 2.376 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC1CC(OC)C1 ZINC001327292005 1334260593 /nfs/dbraw/zinc/26/05/93/1334260593.db2.gz XEURDDAIDBUSKE-UHFFFAOYSA-N 0 0 348.443 2.062 10 10 EECERN COc1ccc(N2CC[C@@H](Nc3c(C)cncc3[N+](=O)[O-])C2)cc1 ZINC001327714442 1334338455 /nfs/dbraw/zinc/33/84/55/1334338455.db2.gz MWDKJEQCSMNXKL-CYBMUJFWSA-N 0 0 328.372 2.420 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)cc[nH]c3=O)C2)cc1 ZINC001328372740 1334451023 /nfs/dbraw/zinc/45/10/23/1334451023.db2.gz HWBQUMMVWGQSFS-CYBMUJFWSA-N 0 0 327.384 2.113 10 10 EECERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330487354 1334856095 /nfs/dbraw/zinc/85/60/95/1334856095.db2.gz RGSFRSFASOWFRQ-JOYOIKCWSA-N 0 0 342.317 2.034 10 10 EECERN C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1F ZINC001345139728 1337427975 /nfs/dbraw/zinc/42/79/75/1337427975.db2.gz MQHYOPUSRANVDC-PBHICJAKSA-N 0 0 347.434 2.110 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3CC[C@@]34CCOC4)CC2)cc1 ZINC001345274592 1337433952 /nfs/dbraw/zinc/43/39/52/1337433952.db2.gz GCOSDHALKJBAAG-IBGZPJMESA-N 0 0 345.443 2.238 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(n2)OCCO3)c1 ZINC000847589826 1338193892 /nfs/dbraw/zinc/19/38/92/1338193892.db2.gz NLZGPIZMKRNRNO-JTQLQIEISA-N 0 0 330.340 2.058 10 10 EECERN CC(=O)NC[C@@]1(C)CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001358844306 1339112593 /nfs/dbraw/zinc/11/25/93/1339112593.db2.gz NIOOSVPNDVKODK-QGZVFWFLSA-N 0 0 345.403 2.227 10 10 EECERN CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1Cl)C1CCOCC1 ZINC000849307915 1339151837 /nfs/dbraw/zinc/15/18/37/1339151837.db2.gz AJTAISQUIJWPCO-CQSZACIVSA-N 0 0 349.836 2.229 10 10 EECERN CC[C@H]1C(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C(=O)N1C1CC1 ZINC000849358456 1339154183 /nfs/dbraw/zinc/15/41/83/1339154183.db2.gz WGROJDIIDDBCQH-RDJZCZTQSA-N 0 0 343.427 2.479 10 10 EECERN CCC[C@H](C)S(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416830 1339156352 /nfs/dbraw/zinc/15/63/52/1339156352.db2.gz XLMRDOBUAQTOGW-UONOGXRCSA-N 0 0 326.462 2.382 10 10 EECERN C=C/C=C/CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001542180247 1342327886 /nfs/dbraw/zinc/32/78/86/1342327886.db2.gz FDFNYIOOBUSPPN-CWDCEQMOSA-N 0 0 327.428 2.137 10 10 EECERN Cc1cc(CC(=O)Nc2nnc3[nH]cnn23)c(C)n1-c1ccccc1 ZINC001556861240 1342436272 /nfs/dbraw/zinc/43/62/72/1342436272.db2.gz PPKCKUURAZAFAX-UHFFFAOYSA-N 0 0 335.371 2.041 10 10 EECERN C[C@@H](NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)c1ccccc1O ZINC001557966441 1342461343 /nfs/dbraw/zinc/46/13/43/1342461343.db2.gz BFODTGAQUNJYNN-MXMFLMJRSA-N 0 0 335.381 2.279 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cnc2cc(F)c(F)cc2c1O ZINC001558162069 1342467111 /nfs/dbraw/zinc/46/71/11/1342467111.db2.gz UMOAJBYITJSZLH-UHFFFAOYSA-N 0 0 346.289 2.148 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)c2ccccc2)cc1 ZINC001595907185 1349898190 /nfs/dbraw/zinc/89/81/90/1349898190.db2.gz YSVHDGMGQRULKW-AWEZNQCLSA-N 0 0 326.356 2.355 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001622664253 1352387268 /nfs/dbraw/zinc/38/72/68/1352387268.db2.gz NCYGNOVOCPSUOE-UONOGXRCSA-N 0 0 328.324 2.426 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cc(=O)[nH]c(=O)[nH]1 ZINC001631050731 1352576967 /nfs/dbraw/zinc/57/69/67/1352576967.db2.gz LPIZMKDBZMPPFR-UHFFFAOYSA-N 0 0 344.396 2.287 10 10 EECERN COc1ccc2c(c1)CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C2 ZINC001631465361 1352584144 /nfs/dbraw/zinc/58/41/44/1352584144.db2.gz QWJKMUHFKMNFQX-OAHLLOKOSA-N 0 0 327.380 2.323 10 10 EECERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001637849054 1352681446 /nfs/dbraw/zinc/68/14/46/1352681446.db2.gz LTGQVVMCLCFYHP-LJBASXIBSA-N 0 0 345.395 2.444 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)c1 ZINC001641733229 1352724590 /nfs/dbraw/zinc/72/45/90/1352724590.db2.gz MVVAQGOWSGFJOY-UHFFFAOYSA-N 0 0 326.331 2.350 10 10 EECERN COc1nc(C)cc(C)c1CN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001642242249 1352729180 /nfs/dbraw/zinc/72/91/80/1352729180.db2.gz YJAFKDAXYFBRGY-UHFFFAOYSA-N 0 0 330.384 2.319 10 10 EECERN CC(=O)c1cccc(O[C@H](C)C(=O)NCc2cc(O)ccc2O)c1 ZINC001644752368 1352768073 /nfs/dbraw/zinc/76/80/73/1352768073.db2.gz CQWQAHJQCBRLLD-GFCCVEGCSA-N 0 0 329.352 2.384 10 10 EECERN Cn1ncc(NC(=O)C2=CC(=O)CS2)c1I ZINC001652515120 1354093949 /nfs/dbraw/zinc/09/39/49/1354093949.db2.gz XSZMCUROFICTFJ-UHFFFAOYSA-N 0 0 349.153 2.044 10 10 EECERN Cc1c[nH]c(CNC(=O)c2ccc(N=NC(N)=O)cc2)c(C)c1=O ZINC001652831621 1354105024 /nfs/dbraw/zinc/10/50/24/1354105024.db2.gz SLBHVSIIRRGKKO-UHFFFAOYSA-N 0 0 327.344 2.084 10 10 EECERN COC(=O)c1ccnc(N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001654934709 1354161917 /nfs/dbraw/zinc/16/19/17/1354161917.db2.gz OSXNMCBQIQDNGJ-UHFFFAOYSA-N 0 0 326.400 2.500 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCN3C[C@@H](F)C[C@H]3C2)c1O ZINC001655800289 1354185220 /nfs/dbraw/zinc/18/52/20/1354185220.db2.gz ZNXGVIFVVRCBQP-KBPBESRZSA-N 0 0 326.799 2.476 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCCc1nnc[nH]1 ZINC001683850310 1358204206 /nfs/dbraw/zinc/20/42/06/1358204206.db2.gz LAGXWGJAYBWZPD-UHFFFAOYSA-N 0 0 342.447 2.179 10 10 EECERN COC(=O)CC(C)(C)CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000919082096 769573995 /nfs/dbraw/zinc/57/39/95/769573995.db2.gz UMWLMRMQIFLEKC-UHFFFAOYSA-N 0 0 335.448 2.450 10 10 EECERN O=C1NCC2(CN(Cc3ccc(OCc4ccccc4)cc3O)C2)O1 ZINC000817416976 784767583 /nfs/dbraw/zinc/76/75/83/784767583.db2.gz NYLLFXQEJSSLQQ-UHFFFAOYSA-N 0 0 340.379 2.265 10 10 EECERN O=C(/C=C/[C@H]1CCCO1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819332348 785510177 /nfs/dbraw/zinc/51/01/77/785510177.db2.gz BQZYNTUJHSLOAK-MQDFFIGUSA-N 0 0 348.418 2.138 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCC(=O)NC2CCCCC2)cc1 ZINC001136340362 785918632 /nfs/dbraw/zinc/91/86/32/785918632.db2.gz NPWQISIQHZVRPT-UHFFFAOYSA-N 0 0 345.403 2.418 10 10 EECERN Cc1cc(CC(=O)N[C@H]2C(=O)NCC2(C)C)c(C)n1-c1ccccc1 ZINC000912644781 788285910 /nfs/dbraw/zinc/28/59/10/788285910.db2.gz NYTRCXPUBIFUEB-SFHVURJKSA-N 0 0 339.439 2.277 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Cc2cn3c(n2)CCCC3)c1 ZINC000845833477 789962827 /nfs/dbraw/zinc/96/28/27/789962827.db2.gz LRLTUKGKZFUTIK-LBPRGKRZSA-N 0 0 329.400 2.354 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000786997937 806958767 /nfs/dbraw/zinc/95/87/67/806958767.db2.gz AHCKDOXEWIIKBZ-BWTSREIZSA-N 0 0 343.471 2.493 10 10 EECERN COCCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000787320155 807087521 /nfs/dbraw/zinc/08/75/21/807087521.db2.gz XPQVNTVNSOJLOL-YOEHRIQHSA-N 0 0 335.448 2.261 10 10 EECERN Oc1cc2c(cc1CN1CCO[C@@H](COc3ccccc3)C1)OCO2 ZINC000790460163 808729432 /nfs/dbraw/zinc/72/94/32/808729432.db2.gz ODYTYNDIIVEDCY-MRXNPFEDSA-N 0 0 343.379 2.401 10 10 EECERN CCc1cnc(CCNC(=O)NCc2ccc(OC)cc2O)s1 ZINC000792964175 810092095 /nfs/dbraw/zinc/09/20/95/810092095.db2.gz HZDARISYLANYIF-UHFFFAOYSA-N 0 0 335.429 2.462 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCCSC ZINC000807263209 812178005 /nfs/dbraw/zinc/17/80/05/812178005.db2.gz BDWMNNIVTLAODO-UHFFFAOYSA-N 0 0 338.473 2.390 10 10 EECERN CCOc1cc2c(cc1C=CC(=O)OCC(=O)C(C)=O)O[C@H](C)C2 ZINC000808486372 812658312 /nfs/dbraw/zinc/65/83/12/812658312.db2.gz PVYAPHYHHUSCKR-MVIFTORASA-N 0 0 332.352 2.123 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000808492348 812663116 /nfs/dbraw/zinc/66/31/16/812663116.db2.gz ZCFCJENBXZAQSF-UHFFFAOYSA-N 0 0 335.356 2.026 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000808496616 812667375 /nfs/dbraw/zinc/66/73/75/812667375.db2.gz YDQQQKDAHIKJBJ-UHFFFAOYSA-N 0 0 331.372 2.451 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000808503701 812676181 /nfs/dbraw/zinc/67/61/81/812676181.db2.gz KTGZSUSHWPHCAH-QMMMGPOBSA-N 0 0 347.136 2.057 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC001450689166 1095071200 /nfs/dbraw/zinc/07/12/00/1095071200.db2.gz RBUOFKMEQQTKQY-HNNXBMFYSA-N 0 0 331.368 2.441 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCc1nc2cc(F)ccc2[nH]1 ZINC001444728340 1099603596 /nfs/dbraw/zinc/60/35/96/1099603596.db2.gz KGOTWYQDCCDNDW-UHFFFAOYSA-N 0 0 329.331 2.015 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2CCOc3cccc1c32 ZINC001446879177 1101547994 /nfs/dbraw/zinc/54/79/94/1101547994.db2.gz IUTVQYZJIVEZPU-ALCCZGGFSA-N 0 0 338.363 2.357 10 10 EECERN COc1cccc2c1nc(NC(=O)Cc1ccc(O)c(O)c1)n2C ZINC001448124817 1104062041 /nfs/dbraw/zinc/06/20/41/1104062041.db2.gz YWPXHNNDEQAJOR-UHFFFAOYSA-N 0 0 327.340 2.174 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1cccc(-n2cncn2)n1 ZINC001465846457 1110424903 /nfs/dbraw/zinc/42/49/03/1110424903.db2.gz TWJVVABNFSSXOC-UHFFFAOYSA-N 0 0 337.383 2.420 10 10 EECERN NC(=O)c1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001466276673 1110432675 /nfs/dbraw/zinc/43/26/75/1110432675.db2.gz WJVYKTMINUUUFW-UHFFFAOYSA-N 0 0 329.337 2.059 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCC(Oc2ncccc2F)CC1 ZINC001467703015 1110461968 /nfs/dbraw/zinc/46/19/68/1110461968.db2.gz UOPIFXLNDUMIDX-UHFFFAOYSA-N 0 0 346.358 2.244 10 10 EECERN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1ccc(O)cc1O ZINC001469161355 1110486125 /nfs/dbraw/zinc/48/61/25/1110486125.db2.gz YSMWMYRSMKLABL-GFCCVEGCSA-N 0 0 338.363 2.229 10 10 EECERN O=C(CNC(=O)c1ccsc1)NCc1ccc2cccnc2c1O ZINC001469248494 1110488014 /nfs/dbraw/zinc/48/80/14/1110488014.db2.gz INWWKEUFYKBNBT-UHFFFAOYSA-N 0 0 341.392 2.048 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001471661740 1110527608 /nfs/dbraw/zinc/52/76/08/1110527608.db2.gz AGIXIKVBFBILPO-NWDGAFQWSA-N 0 0 333.306 2.462 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1CC1([S@](C)=O)CCC1 ZINC001511776363 1118243132 /nfs/dbraw/zinc/24/31/32/1118243132.db2.gz RBSQNYXKFKLXOQ-DEOSSOPVSA-N 0 0 348.472 2.230 10 10 EECERN Cn1cc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[nH]c1=O ZINC001515045429 1118930831 /nfs/dbraw/zinc/93/08/31/1118930831.db2.gz ZMAJOOUSMYNSHN-UHFFFAOYSA-N 0 0 334.339 2.088 10 10 EECERN COc1ccccc1N1CCN(CC(=O)c2ccc(O)c(O)c2)CC1 ZINC000038611254 132396958 /nfs/dbraw/zinc/39/69/58/132396958.db2.gz MPHPDMUOEKCXGX-UHFFFAOYSA-N 0 0 342.395 2.111 10 10 EECERN CCOc1ccc(O)c(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1 ZINC000121327312 463117788 /nfs/dbraw/zinc/11/77/88/463117788.db2.gz NUIFZOMUMGQAOF-ZDUSSCGKSA-N 0 0 346.431 2.361 10 10 EECERN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nnc2n1CCCC2 ZINC000078880171 463158902 /nfs/dbraw/zinc/15/89/02/463158902.db2.gz AWQOVQNXMRLPFT-HNNXBMFYSA-N 0 0 341.459 2.302 10 10 EECERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000026401308 463161023 /nfs/dbraw/zinc/16/10/23/463161023.db2.gz UGKHVSJRNMVZRM-CRAIPNDOSA-N 0 0 347.459 2.232 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@@H]3CSC(=O)N3)cc2)CC1 ZINC000081366289 463426281 /nfs/dbraw/zinc/42/62/81/463426281.db2.gz OOZQJJSHRSXCHA-HNNXBMFYSA-N 0 0 333.457 2.364 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[C@@H](O)C1 ZINC000170603296 463681828 /nfs/dbraw/zinc/68/18/28/463681828.db2.gz UHKQOAVVGASMKH-PKOBYXMFSA-N 0 0 346.471 2.063 10 10 EECERN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C12CCOCC2 ZINC000186306602 463972736 /nfs/dbraw/zinc/97/27/36/463972736.db2.gz FTLWCLJHEPKUHC-HZPDHXFCSA-N 0 0 336.388 2.364 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000283705725 463979616 /nfs/dbraw/zinc/97/96/16/463979616.db2.gz RTZAYSJKNGCTDZ-HNNXBMFYSA-N 0 0 333.432 2.325 10 10 EECERN Cc1ccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c(O)c1O ZINC000179437411 464136189 /nfs/dbraw/zinc/13/61/89/464136189.db2.gz APPLTMHVKKHGOW-OAHLLOKOSA-N 0 0 340.379 2.110 10 10 EECERN Cc1cccc(CN[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1O ZINC000293916703 464426148 /nfs/dbraw/zinc/42/61/48/464426148.db2.gz MHFLAFGCTKXGSN-YOEHRIQHSA-N 0 0 329.396 2.283 10 10 EECERN COc1nccnc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294498956 464518088 /nfs/dbraw/zinc/51/80/88/464518088.db2.gz AVUMSMDMMDSYRG-HNNXBMFYSA-N 0 0 329.400 2.372 10 10 EECERN Cc1ccc(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)c(O)c1O ZINC000182617603 464695851 /nfs/dbraw/zinc/69/58/51/464695851.db2.gz YUUALWGOYCSKKH-GFCCVEGCSA-N 0 0 338.367 2.478 10 10 EECERN CCc1nnc(C2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)[nH]1 ZINC000191542598 464818703 /nfs/dbraw/zinc/81/87/03/464818703.db2.gz GRJCELLSSUSIJR-GQCTYLIASA-N 0 0 342.399 2.198 10 10 EECERN Cc1cc(C(=O)CN2C[C@H](O)C[C@@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000184727869 465022255 /nfs/dbraw/zinc/02/22/55/465022255.db2.gz DQFFJHXMBJYUJW-QZTJIDSGSA-N 0 0 342.439 2.013 10 10 EECERN CNC(=O)c1cccnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC000301378091 465953275 /nfs/dbraw/zinc/95/32/75/465953275.db2.gz SJURNYUUVSORAY-UHFFFAOYSA-N 0 0 340.427 2.167 10 10 EECERN Nc1c(C(=O)OCC(F)F)ccc2c1C(=O)c1ccccc1C2=O ZINC000733386291 577228237 /nfs/dbraw/zinc/22/82/37/577228237.db2.gz RYODJNIJJNCSHD-UHFFFAOYSA-N 0 0 331.274 2.466 10 10 EECERN Cc1cnc(N)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773085955 577314911 /nfs/dbraw/zinc/31/49/11/577314911.db2.gz APOBGSKCJYFTFE-LBPRGKRZSA-N 0 0 334.445 2.078 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(N(C)C)cc1 ZINC000773369704 577337082 /nfs/dbraw/zinc/33/70/82/577337082.db2.gz ITIKBEGYFCCBOR-YOKBYHGQSA-N 0 0 344.459 2.122 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)O[C@@H]3CC(=O)N(C)C3)c2C)cc1 ZINC000764722136 577487347 /nfs/dbraw/zinc/48/73/47/577487347.db2.gz GLJFGVDYHBLRQD-MRXNPFEDSA-N 0 0 342.395 2.490 10 10 EECERN COCCc1cc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)n(C)n1 ZINC000768995310 577567097 /nfs/dbraw/zinc/56/70/97/577567097.db2.gz JJRSLYVADRESJA-LLVKDONJSA-N 0 0 348.403 2.206 10 10 EECERN CCOCCOc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000762267782 577698411 /nfs/dbraw/zinc/69/84/11/577698411.db2.gz RCCWPLUGQIVJGA-UHFFFAOYSA-N 0 0 345.395 2.486 10 10 EECERN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000756697075 577848686 /nfs/dbraw/zinc/84/86/86/577848686.db2.gz OVGSWTJJOKRBLU-UHFFFAOYSA-N 0 0 331.376 2.116 10 10 EECERN COC(=O)CN(C/C=C(/C)C(=O)OC)Cc1cc(Cl)ccc1O ZINC000748818028 577967400 /nfs/dbraw/zinc/96/74/00/577967400.db2.gz QRQVRQUNPOKJRK-WDZFZDKYSA-N 0 0 341.791 2.140 10 10 EECERN CN(C)[C@@H](CCNC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000926830581 682882611 /nfs/dbraw/zinc/88/26/11/682882611.db2.gz KVGWJYIQFFOCEL-ZDUSSCGKSA-N 0 0 331.338 2.300 10 10 EECERN CN(C)C(=O)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895436633 684600043 /nfs/dbraw/zinc/60/00/43/684600043.db2.gz NCDGNPSBCWNMIP-UHFFFAOYSA-N 0 0 348.424 2.253 10 10 EECERN CCO[C@@H]1COCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897389765 688738560 /nfs/dbraw/zinc/73/85/60/688738560.db2.gz BOKRBQWHJWKELE-GXFFZTMASA-N 0 0 337.397 2.236 10 10 EECERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@]2(CCOC2)O1 ZINC000897627969 691706602 /nfs/dbraw/zinc/70/66/02/691706602.db2.gz ZBUDYFCMFXDMEO-DYZYQPBXSA-N 0 0 349.408 2.333 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000897791239 691784103 /nfs/dbraw/zinc/78/41/03/691784103.db2.gz HEQUQHMHARCKMN-SIUPPRGNSA-N 0 0 343.471 2.086 10 10 EECERN O=C(N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cc2cc(O)c(O)cc2s1 ZINC000899160802 693634492 /nfs/dbraw/zinc/63/44/92/693634492.db2.gz HHEXVUYBHDQSGH-DJEXJWGGSA-N 0 0 331.393 2.466 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2nc([C@@H]3C[C@@H]3C)no2)cc1 ZINC000866015667 1198455561 /nfs/dbraw/zinc/45/55/61/1198455561.db2.gz HPGKKXIOHCRMKF-SWLSCSKDSA-N 0 0 344.415 2.410 10 10 EECERN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C2 ZINC000876135894 1199516053 /nfs/dbraw/zinc/51/60/53/1199516053.db2.gz WUAKJEHXEGSUMY-VCBZYWHSSA-N 0 0 345.443 2.236 10 10 EECERN CCOC1(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)CCC1 ZINC000870166918 1200531476 /nfs/dbraw/zinc/53/14/76/1200531476.db2.gz XTNPOAGKAYTBIC-UHFFFAOYSA-N 0 0 348.443 2.312 10 10 EECERN Cc1cn(C)nc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000826064093 1200627450 /nfs/dbraw/zinc/62/74/50/1200627450.db2.gz DQTNMCRVUJCOAK-AWEZNQCLSA-N 0 0 343.431 2.448 10 10 EECERN COc1cccc(CNC(=O)c2cc(Cl)nc(N(C)C)c2)c1O ZINC000113423280 1224628948 /nfs/dbraw/zinc/62/89/48/1224628948.db2.gz YBKBPPDPZTVUEV-UHFFFAOYSA-N 0 0 335.791 2.445 10 10 EECERN COc1ccc(N2CCN(c3ccc([C@@H](C)O)cn3)CC2)c(OC)c1 ZINC000866138710 1201444767 /nfs/dbraw/zinc/44/47/67/1201444767.db2.gz ONEJJDCJNXDYTA-CQSZACIVSA-N 0 0 343.427 2.479 10 10 EECERN CCCCCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000826610479 1204588377 /nfs/dbraw/zinc/58/83/77/1204588377.db2.gz IELHWISGMUQFBI-HNNXBMFYSA-N 0 0 347.459 2.087 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](C[C@H]2CCCO2)C1=O ZINC000924670950 1206014659 /nfs/dbraw/zinc/01/46/59/1206014659.db2.gz JEIKZSIHUQOQRE-HZPDHXFCSA-N 0 0 331.416 2.051 10 10 EECERN Nc1ccc(NC(=O)C(=O)N2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000927826098 1206307214 /nfs/dbraw/zinc/30/72/14/1206307214.db2.gz KRBWFWPGZGTUOY-ZDUSSCGKSA-N 0 0 345.296 2.100 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cccc(CN2CCOCC2)c1 ZINC000928711579 1206413929 /nfs/dbraw/zinc/41/39/29/1206413929.db2.gz JDUIVPHYIPZTQV-UHFFFAOYSA-N 0 0 344.386 2.294 10 10 EECERN Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC2(COC2)O1 ZINC000929973193 1206523815 /nfs/dbraw/zinc/52/38/15/1206523815.db2.gz XYRSXFJVHSVSJK-IAGOWNOFSA-N 0 0 333.428 2.321 10 10 EECERN CCN1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1=O ZINC000190562692 1209914776 /nfs/dbraw/zinc/91/47/76/1209914776.db2.gz QFVKIPRDUVGJHO-UHFFFAOYSA-N 0 0 329.375 2.495 10 10 EECERN CCCN(CCC)c1ccc(CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000779432275 1210258158 /nfs/dbraw/zinc/25/81/58/1210258158.db2.gz BAWWFCRYHLNWIS-QGZVFWFLSA-N 0 0 344.459 2.049 10 10 EECERN COC(=O)C[C@@H]1CN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC000779668854 1210735194 /nfs/dbraw/zinc/73/51/94/1210735194.db2.gz ALFPEBUEFNDCNB-LMVHVUTASA-N 0 0 338.363 2.494 10 10 EECERN C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000305295354 1216165909 /nfs/dbraw/zinc/16/59/09/1216165909.db2.gz GGSGPYGEUMEGOM-CQSZACIVSA-N 0 0 328.412 2.329 10 10 EECERN CCc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[nH]n1 ZINC000098094004 1216904278 /nfs/dbraw/zinc/90/42/78/1216904278.db2.gz VJWCKZZFFATNIU-UHFFFAOYSA-N 0 0 342.443 2.111 10 10 EECERN CCOC(=O)C1(C(=O)NCc2ccc(N(C)C)cc2C)CCOCC1 ZINC000796502999 1220096732 /nfs/dbraw/zinc/09/67/32/1220096732.db2.gz WAKXBXSKOVIWQU-UHFFFAOYSA-N 0 0 348.443 2.037 10 10 EECERN COc1ccc(N(CCC(C)C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000796506282 1220136388 /nfs/dbraw/zinc/13/63/88/1220136388.db2.gz YDUGBQFUCCTZCK-SFHVURJKSA-N 0 0 336.476 2.241 10 10 EECERN CCC/C=C/[C@H](O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000900386784 1234301681 /nfs/dbraw/zinc/30/16/81/1234301681.db2.gz GPRNBPXDVBYMLH-IJVDXJMESA-N 0 0 332.444 2.418 10 10 EECERN CCC/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000900755470 1234763161 /nfs/dbraw/zinc/76/31/61/1234763161.db2.gz OOTOGGKLRFUFLR-VZSQWMKGSA-N 0 0 346.471 2.229 10 10 EECERN CC(C)C[C@H](NCC(F)(F)F)C(=O)NCCc1ccc(O)c(O)c1 ZINC000901124676 1235253182 /nfs/dbraw/zinc/25/31/82/1235253182.db2.gz XVHBYTHHMRCFDB-LBPRGKRZSA-N 0 0 348.365 2.323 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C/c1c[nH]c(Br)c1 ZINC000901442370 1235805929 /nfs/dbraw/zinc/80/59/29/1235805929.db2.gz HVIKOJZWTXUZFB-WEVVVXLNSA-N 0 0 342.218 2.080 10 10 EECERN O=S(=O)(CC[NH2+]Cc1c([O-])ccc(Cl)c1F)CC(F)(F)F ZINC000850364485 1277198482 /nfs/dbraw/zinc/19/84/82/1277198482.db2.gz HVGSBUIXCGZRQJ-UHFFFAOYSA-N 0 0 349.733 2.251 10 10 EECERN COC(=O)c1ccnc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC001545683899 1290343597 /nfs/dbraw/zinc/34/35/97/1290343597.db2.gz DBEALJVLDKHSLK-SNVBAGLBSA-N 0 0 330.340 2.073 10 10 EECERN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)c2ncnn21 ZINC000851988319 1291943562 /nfs/dbraw/zinc/94/35/62/1291943562.db2.gz XKKFDCZOSSPABX-BBRMVZONSA-N 0 0 340.431 2.384 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H](OC)C(C)C)C2)cc1 ZINC000852193869 1292035617 /nfs/dbraw/zinc/03/56/17/1292035617.db2.gz AUECLCFBOBQSBJ-YOEHRIQHSA-N 0 0 335.448 2.244 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H]1C[C@H]1C1CC1 ZINC000852375877 1292101032 /nfs/dbraw/zinc/10/10/32/1292101032.db2.gz ONBUFDMYQRTOQM-LPHOPBHVSA-N 0 0 343.471 2.493 10 10 EECERN CC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@H](C)O1 ZINC000852455932 1292118531 /nfs/dbraw/zinc/11/85/31/1292118531.db2.gz WPOUQLKFBGCBOD-ZMSDIMECSA-N 0 0 347.459 2.483 10 10 EECERN CN(C)c1nccc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853955672 1292552504 /nfs/dbraw/zinc/55/25/04/1292552504.db2.gz HGWYMGDRHHZHNC-UHFFFAOYSA-N 0 0 327.432 2.116 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H](COC)OC ZINC000854292339 1292705265 /nfs/dbraw/zinc/70/52/65/1292705265.db2.gz DNXBYNKDJFMXOH-QGZVFWFLSA-N 0 0 337.464 2.336 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CCCCO)C2)cc1 ZINC000854297408 1292709161 /nfs/dbraw/zinc/70/91/61/1292709161.db2.gz MKEVBYZRZPGKGG-HUUCEWRRSA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@]34C[C@@H]3COC4(C)C)C2)cc1 ZINC000854980401 1293018740 /nfs/dbraw/zinc/01/87/40/1293018740.db2.gz AJRODWGZWLNWAS-STXHMFSFSA-N 0 0 344.455 2.453 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)cc1 ZINC000855224368 1293116796 /nfs/dbraw/zinc/11/67/96/1293116796.db2.gz KCAZMBHHYJZDTC-ZDUSSCGKSA-N 0 0 328.416 2.091 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ncc(C)cc3O)C2)cc1 ZINC000855225074 1293117449 /nfs/dbraw/zinc/11/74/49/1293117449.db2.gz IPWZYGGSGYXDDO-CYBMUJFWSA-N 0 0 327.384 2.113 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCn3nc(C)cc3C)C2)cc1 ZINC000855231839 1293121943 /nfs/dbraw/zinc/12/19/43/1293121943.db2.gz MOPAQOXRXTUTPZ-MRXNPFEDSA-N 0 0 342.443 2.294 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(F)ccc(O)c3O)C2)cc1 ZINC000857302114 1293786314 /nfs/dbraw/zinc/78/63/14/1293786314.db2.gz GVRCDVVWBPHAHK-NSHDSACASA-N 0 0 346.358 2.254 10 10 EECERN C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)c(F)cc1[O-] ZINC000858523874 1294143249 /nfs/dbraw/zinc/14/32/49/1294143249.db2.gz XPMDXXCUIHFVQV-ZJUUUORDSA-N 0 0 347.228 2.275 10 10 EECERN CCC(F)(F)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000858803432 1294230897 /nfs/dbraw/zinc/23/08/97/1294230897.db2.gz YJRULONWNMMTKY-UHFFFAOYSA-N 0 0 341.402 2.492 10 10 EECERN Cc1cc(CNC(=O)C[C@H](C)NC(N)=O)c(C)n1-c1ccccc1 ZINC000863163840 1296133887 /nfs/dbraw/zinc/13/38/87/1296133887.db2.gz QKDFOONFXDHNPZ-LBPRGKRZSA-N 0 0 328.416 2.157 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](C[C@@H]2CCCOC2)C1=O ZINC000863505852 1296315604 /nfs/dbraw/zinc/31/56/04/1296315604.db2.gz XCQYSBKMESJHNX-YOEHRIQHSA-N 0 0 345.443 2.298 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC001119756129 1309190667 /nfs/dbraw/zinc/19/06/67/1309190667.db2.gz DIMCEQVBTDFQLF-LIRRHRJNSA-N 0 0 347.459 2.005 10 10 EECERN COC(=O)COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 ZINC001142000142 1315416402 /nfs/dbraw/zinc/41/64/02/1315416402.db2.gz JVWLTEUZSMJFHZ-UHFFFAOYSA-N 0 0 345.351 2.139 10 10 EECERN CC(C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842200059 1315673794 /nfs/dbraw/zinc/67/37/94/1315673794.db2.gz CMTUSFQRTYVYKR-IAGOWNOFSA-N 0 0 331.460 2.259 10 10 EECERN CN(C)C(=O)/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001149857454 1316069024 /nfs/dbraw/zinc/06/90/24/1316069024.db2.gz KVMYAMZGUDNWPN-MDZDMXLPSA-N 0 0 328.368 2.158 10 10 EECERN CCC/C=C\[C@@H](O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001150239991 1316212155 /nfs/dbraw/zinc/21/21/55/1316212155.db2.gz LYBPMPHNUFQVSP-OGZRUICASA-N 0 0 336.407 2.200 10 10 EECERN CCC/C=C/[C@H](O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001150239989 1316212429 /nfs/dbraw/zinc/21/24/29/1316212429.db2.gz LYBPMPHNUFQVSP-JFDDCEBESA-N 0 0 336.407 2.200 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC001153884786 1316908549 /nfs/dbraw/zinc/90/85/49/1316908549.db2.gz HYCKDZDDMWNWCL-ZBFHGGJFSA-N 0 0 327.336 2.018 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC001154076148 1316950935 /nfs/dbraw/zinc/95/09/35/1316950935.db2.gz UGXYQRNKFNPFTD-AWEZNQCLSA-N 0 0 335.787 2.014 10 10 EECERN O=C(Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1)NC1CC1 ZINC001162278461 1320803920 /nfs/dbraw/zinc/80/39/20/1320803920.db2.gz IGIVZTKSPUUUBD-UHFFFAOYSA-N 0 0 341.367 2.312 10 10 EECERN O=C(Cn1c(=O)[nH]c2ccccc21)NCc1cc(Cl)ccc1O ZINC001165499132 1321535212 /nfs/dbraw/zinc/53/52/12/1321535212.db2.gz XHRHRFBFYHHQFQ-UHFFFAOYSA-N 0 0 331.759 2.417 10 10 EECERN CC(=O)N1CC=C(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001288719966 1327908840 /nfs/dbraw/zinc/90/88/40/1327908840.db2.gz GKKKHUUWYNDTQP-UHFFFAOYSA-N 0 0 343.387 2.148 10 10 EECERN C/C=C(\C)C(=O)NCC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001297185142 1329949601 /nfs/dbraw/zinc/94/96/01/1329949601.db2.gz XDHOWISWFFABBJ-WTDJAASJSA-N 0 0 343.387 2.003 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1c(F)cccc1-n1cccn1 ZINC001298006955 1330027834 /nfs/dbraw/zinc/02/78/34/1330027834.db2.gz FDDFFPDAYDNEJQ-UHFFFAOYSA-N 0 0 341.342 2.282 10 10 EECERN Cc1nn(CCC(=O)N[C@H](C)c2ccccc2O)c(C)c1[N+](=O)[O-] ZINC001302530630 1331328686 /nfs/dbraw/zinc/32/86/86/1331328686.db2.gz UCXUUJUCVFZCCH-SNVBAGLBSA-N 0 0 332.360 2.381 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1ccc2[nH]c(CO)nc2c1 ZINC001305084783 1331407748 /nfs/dbraw/zinc/40/77/48/1331407748.db2.gz NLAPWIGTRFSKMQ-UHFFFAOYSA-N 0 0 331.759 2.344 10 10 EECERN Cc1ccc2ncc(C(=O)NCc3cccc(Cl)c3O)c(=O)n2c1 ZINC001305069699 1331409043 /nfs/dbraw/zinc/40/90/43/1331409043.db2.gz LJDNZVAHCBQLDF-UHFFFAOYSA-N 0 0 343.770 2.292 10 10 EECERN C[C@@H]1C[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001325698307 1333942943 /nfs/dbraw/zinc/94/29/43/1333942943.db2.gz XKZRWIYVRHJRTK-WBVHZDCISA-N 0 0 343.471 2.408 10 10 EECERN Cc1ccc(CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C2CC2)o1 ZINC001329341044 1334630423 /nfs/dbraw/zinc/63/04/23/1334630423.db2.gz WHTYEVRRCRXLIZ-UHFFFAOYSA-N 0 0 340.379 2.327 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)CC(F)F ZINC001338865717 1336922885 /nfs/dbraw/zinc/92/28/85/1336922885.db2.gz SHFQUWNNHNOTKM-UHFFFAOYSA-N 0 0 328.359 2.148 10 10 EECERN CSc1cc(N2C(=O)CN(Cc3ccccc3O)C2=O)ccn1 ZINC001347144452 1337497624 /nfs/dbraw/zinc/49/76/24/1337497624.db2.gz MRDPMPAZSHPOAU-UHFFFAOYSA-N 0 0 329.381 2.478 10 10 EECERN COC(=O)[C@H]1CN(C(=O)/C(C)=C/c2cccnc2)c2ccccc2O1 ZINC001352206615 1337904818 /nfs/dbraw/zinc/90/48/18/1337904818.db2.gz JAMMYYKVRZETMZ-JIIJFUIFSA-N 0 0 338.363 2.452 10 10 EECERN O=C(NCCc1c(F)cc(O)cc1F)c1c(F)ccc(O)c1O ZINC001611669489 1352303578 /nfs/dbraw/zinc/30/35/78/1352303578.db2.gz ZNPDOMWYFKUENP-UHFFFAOYSA-N 0 0 327.258 2.193 10 10 EECERN NC(=O)c1cccc(OCCC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001557386702 1342447681 /nfs/dbraw/zinc/44/76/81/1342447681.db2.gz LFYRDUFRWAWTQK-UHFFFAOYSA-N 0 0 348.786 2.230 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001558263873 1342471239 /nfs/dbraw/zinc/47/12/39/1342471239.db2.gz KNKMWGNKWHALLR-ZWNOBZJWSA-N 0 0 333.306 2.257 10 10 EECERN Cc1c(C[S@@](C)=O)cccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001586201037 1348846971 /nfs/dbraw/zinc/84/69/71/1348846971.db2.gz LKYKBLUIZNZZRS-HSZRJFAPSA-N 0 0 333.409 2.466 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCO[C@@H](c2ccccc2)O1 ZINC001593881242 1349873260 /nfs/dbraw/zinc/87/32/60/1349873260.db2.gz HULACUAHKNEZGV-FUHWJXTLSA-N 0 0 329.352 2.218 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)/C=C/c2ccc(C(N)=O)o2)cc1 ZINC001623386288 1352396130 /nfs/dbraw/zinc/39/61/30/1352396130.db2.gz CGYKGPCZQRAODY-PKNBQFBNSA-N 0 0 327.384 2.116 10 10 EECERN Cc1nnc([C@H]2CCCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)[nH]1 ZINC001624085055 1352413054 /nfs/dbraw/zinc/41/30/54/1352413054.db2.gz VFMKOFXGEBJIFD-LBPRGKRZSA-N 0 0 341.375 2.295 10 10 EECERN CO[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC001624530269 1352423689 /nfs/dbraw/zinc/42/36/89/1352423689.db2.gz RPYWOAROVMRKSC-DZZUKKPASA-N 0 0 327.380 2.485 10 10 EECERN Cn1cc([C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccccc2)cn1 ZINC001625043469 1352438563 /nfs/dbraw/zinc/43/85/63/1352438563.db2.gz AKIZNAKAIRZTRL-LJQANCHMSA-N 0 0 337.379 2.280 10 10 EECERN C[C@@]1(CNC(=O)Cc2ccc(O)c(O)c2)OCCc2sccc21 ZINC001625591582 1352452942 /nfs/dbraw/zinc/45/29/42/1352452942.db2.gz GOEVFXYWOJFNPB-KRWDZBQOSA-N 0 0 333.409 2.306 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2ccnn2C[C@H]2CCOC2)cc1 ZINC001626369086 1352460844 /nfs/dbraw/zinc/46/08/44/1352460844.db2.gz PPTZWMDLNAXLRO-LLVKDONJSA-N 0 0 342.359 2.334 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](CO)c2ccc(F)cc2)cc1 ZINC001629942765 1352561402 /nfs/dbraw/zinc/56/14/02/1352561402.db2.gz MVVPDTXBUPZUTD-CYBMUJFWSA-N 0 0 344.346 2.494 10 10 EECERN CC(C)(C)[C@@H](NC(N)=O)C(=O)NCc1c(O)ccc2ccccc21 ZINC001635969682 1352656136 /nfs/dbraw/zinc/65/61/36/1352656136.db2.gz VVJAWCJHXOMVGC-HNNXBMFYSA-N 0 0 329.400 2.245 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnc(-c2ccco2)o1 ZINC001638348219 1352687650 /nfs/dbraw/zinc/68/76/50/1352687650.db2.gz OUWDTKQZOWOREK-VIFPVBQESA-N 0 0 329.312 2.102 10 10 EECERN CN(CC(=O)NCc1ccc(O)cc1O)c1nc2ccccc2s1 ZINC001638352919 1352687722 /nfs/dbraw/zinc/68/77/22/1352687722.db2.gz WXJFZEZMSRGJIP-UHFFFAOYSA-N 0 0 343.408 2.460 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1 ZINC001673545111 1356708540 /nfs/dbraw/zinc/70/85/40/1356708540.db2.gz COYWFYWVALYSEW-GOEBONIOSA-N 0 0 344.415 2.187 10 10 EECERN C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)CC1CC1 ZINC001680036005 1357791345 /nfs/dbraw/zinc/79/13/45/1357791345.db2.gz MJMSXYNSPCWMKC-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN C[C@H](NC(=O)N1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC001681778366 1358069956 /nfs/dbraw/zinc/06/99/56/1358069956.db2.gz ASIVYSZXTCCLGM-BYNSBNAKSA-N 0 0 346.475 2.463 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCO[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000588619776 761233202 /nfs/dbraw/zinc/23/32/02/761233202.db2.gz LFVAXSPDXHRVFC-HSBHDXMMSA-N 0 0 342.298 2.251 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1 ZINC001135642419 784147892 /nfs/dbraw/zinc/14/78/92/784147892.db2.gz GLWZHDIHSYCODH-UHFFFAOYSA-N 0 0 335.411 2.451 10 10 EECERN CC(=O)C[C@H]1COCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907309448 784510852 /nfs/dbraw/zinc/51/08/52/784510852.db2.gz LERSGHJWTXFMBJ-NSHDSACASA-N 0 0 335.381 2.133 10 10 EECERN C[C@@H](NC(=O)[C@@H](C)c1ccnn1C)c1ccc(N2CCOCC2)cc1 ZINC000817429420 784782719 /nfs/dbraw/zinc/78/27/19/784782719.db2.gz RNBZXVFEGYDFMI-LSDHHAIUSA-N 0 0 342.443 2.238 10 10 EECERN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818360641 785256488 /nfs/dbraw/zinc/25/64/88/785256488.db2.gz BFRLOSMYKKFICK-OIBJUYFYSA-N 0 0 331.199 2.497 10 10 EECERN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000818362011 785256853 /nfs/dbraw/zinc/25/68/53/785256853.db2.gz NTDYCKZJBCMUBZ-LDYMZIIASA-N 0 0 330.306 2.209 10 10 EECERN C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C(=O)[O-] ZINC000818631100 785310526 /nfs/dbraw/zinc/31/05/26/785310526.db2.gz CEHYBJXZBVGDLF-SUMWQHHRSA-N 0 0 336.407 2.347 10 10 EECERN COc1ccc(N2CCN(C(=O)/C=C\[C@@H]3CCCO3)CC2)cc1F ZINC000819367532 785535182 /nfs/dbraw/zinc/53/51/82/785535182.db2.gz KHDCFNNMFLUEND-PKYBCLHXSA-N 0 0 334.391 2.218 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3cnnc(C)c3)C2)cc1 ZINC000819589525 785598324 /nfs/dbraw/zinc/59/83/24/785598324.db2.gz SASCNULEEZCGSC-CQSZACIVSA-N 0 0 326.400 2.050 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000819760867 785674662 /nfs/dbraw/zinc/67/46/62/785674662.db2.gz JHMCYCQBBNSOFA-UHFFFAOYSA-N 0 0 336.344 2.420 10 10 EECERN CO[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000819973704 785726043 /nfs/dbraw/zinc/72/60/43/785726043.db2.gz BBHZDVJBOHNZAB-WMZOPIPTSA-N 0 0 332.444 2.297 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000819974947 785727012 /nfs/dbraw/zinc/72/70/12/785727012.db2.gz WFWVPWSYYXKCHL-OXQOHEQNSA-N 0 0 344.455 2.297 10 10 EECERN CSc1ncc(C(=O)NCc2cc(Cl)ccc2O)c(=O)[nH]1 ZINC001146233217 791143714 /nfs/dbraw/zinc/14/37/14/791143714.db2.gz QYYADASNKOQJNQ-UHFFFAOYSA-N 0 0 325.777 2.193 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCOC[C@@H]3C)C2)cc1 ZINC000823509448 787795659 /nfs/dbraw/zinc/79/56/59/787795659.db2.gz NUVNWOUSNUFLHV-DAYGRLMNSA-N 0 0 347.459 2.246 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3c(C)cnn3C)CC2)cc1F ZINC000824392373 788159255 /nfs/dbraw/zinc/15/92/55/788159255.db2.gz AJVKTTKDVRJTFM-UHFFFAOYSA-N 0 0 347.394 2.230 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3c(C)cnn3C)C2)cc1 ZINC000824421121 788180020 /nfs/dbraw/zinc/18/00/20/788180020.db2.gz BEVHKSBCOVYFQM-ZDUSSCGKSA-N 0 0 329.404 2.138 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1 ZINC000825130165 788450620 /nfs/dbraw/zinc/45/06/20/788450620.db2.gz OJLMFVBVZIHIMQ-SMDDNHRTSA-N 0 0 344.249 2.435 10 10 EECERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OCc1ccccc1 ZINC001144224911 789392972 /nfs/dbraw/zinc/39/29/72/789392972.db2.gz BUNHGEFUXGWPDE-CHOZFAJLSA-N 0 0 341.363 2.359 10 10 EECERN COCC[NH2+]C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000844899478 789441068 /nfs/dbraw/zinc/44/10/68/789441068.db2.gz FAHDBVUFEJKNDQ-UHFFFAOYSA-N 0 0 343.265 2.355 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(=O)OC(C)(C)C)CC1 ZINC000845931326 789999544 /nfs/dbraw/zinc/99/95/44/789999544.db2.gz RFFRVBJTCMKISZ-NSHDSACASA-N 0 0 335.400 2.267 10 10 EECERN C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000846192171 790085793 /nfs/dbraw/zinc/08/57/93/790085793.db2.gz FTGXLJYOSPMORI-LKFCYVNXSA-N 0 0 348.212 2.486 10 10 EECERN C[C@@H]1CC[C@]2(CC[N@H+](Cc3cc(=O)n4ncc(C(=O)[O-])c4[nH]3)C2)C1 ZINC000846260366 790107761 /nfs/dbraw/zinc/10/77/61/790107761.db2.gz ZGGUGXRUZYVGNW-DIFFPNOSSA-N 0 0 330.388 2.145 10 10 EECERN COc1ccc(CC(=O)NCc2cc(C)ccc2O)cc1[N+](=O)[O-] ZINC001147957368 792084633 /nfs/dbraw/zinc/08/46/33/792084633.db2.gz QXSJVSLLLNHWIC-UHFFFAOYSA-N 0 0 330.340 2.476 10 10 EECERN O=C(NCc1c(O)cccc1F)c1coc(Sc2ncccn2)n1 ZINC001178413223 799467884 /nfs/dbraw/zinc/46/78/84/799467884.db2.gz PDYYBFURIPSSON-UHFFFAOYSA-N 0 0 346.343 2.391 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000922431285 801040384 /nfs/dbraw/zinc/04/03/84/801040384.db2.gz HPYPDHONNXISSS-PSLIRLAXSA-N 0 0 346.408 2.053 10 10 EECERN COC(=O)[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccn(C)n1 ZINC000787438388 807120463 /nfs/dbraw/zinc/12/04/63/807120463.db2.gz QBMTVKYKVDSDOQ-GOSISDBHSA-N 0 0 342.443 2.414 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)CO[C@H](C)c2nccn2C)c1 ZINC000806793509 811991906 /nfs/dbraw/zinc/99/19/06/811991906.db2.gz RPPXYQXXEBDPQA-VXGBXAGGSA-N 0 0 333.388 2.089 10 10 EECERN C[C@@H](NC(=O)N1CCO[C@]2(CCCOC2)C1)c1ccc(N(C)C)cc1 ZINC000805308643 812604678 /nfs/dbraw/zinc/60/46/78/812604678.db2.gz HGAWBMDVLCNFDJ-DNVCBOLYSA-N 0 0 347.459 2.405 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000808507030 812679339 /nfs/dbraw/zinc/67/93/39/812679339.db2.gz ZCNJUHMYTQVFFN-JTQLQIEISA-N 0 0 343.173 2.226 10 10 EECERN CCn1ncnc1-c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC001445898430 1091825872 /nfs/dbraw/zinc/82/58/72/1091825872.db2.gz AOJADDRCJDLNQQ-UHFFFAOYSA-N 0 0 338.367 2.306 10 10 EECERN Cc1cc(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[nH]n1 ZINC001440673598 1093935964 /nfs/dbraw/zinc/93/59/64/1093935964.db2.gz JWADETVXZVZSAI-UHFFFAOYSA-N 0 0 342.443 2.146 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc(O)cc(Br)c1 ZINC001456326605 1109144030 /nfs/dbraw/zinc/14/40/30/1109144030.db2.gz YTTDAFWXVDXDKO-UHFFFAOYSA-N 0 0 338.157 2.496 10 10 EECERN COc1ccc(OCCCNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001457568043 1109673068 /nfs/dbraw/zinc/67/30/68/1109673068.db2.gz TUBDWHJVUXTEBM-UHFFFAOYSA-N 0 0 335.331 2.444 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc2cnccc2s1 ZINC001466791694 1110443648 /nfs/dbraw/zinc/44/36/48/1110443648.db2.gz XUCFPTIZGZJQAC-VIFPVBQESA-N 0 0 329.381 2.464 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1c1ccc(F)cc1 ZINC001468121985 1110469289 /nfs/dbraw/zinc/46/92/89/1110469289.db2.gz DEXFWMMICDUIRD-HNNXBMFYSA-N 0 0 331.343 2.380 10 10 EECERN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)S(=O)(=O)c1ccc(F)cc1 ZINC001471355837 1110521276 /nfs/dbraw/zinc/52/12/76/1110521276.db2.gz XFVLDUOFJAGZTO-NSHDSACASA-N 0 0 349.383 2.236 10 10 EECERN COC(=O)c1cc(OCC(=O)NCCC(C)(C)C)ccc1N(C)C ZINC001473077343 1110571087 /nfs/dbraw/zinc/57/10/87/1110571087.db2.gz PZJXVPZSDAHULZ-UHFFFAOYSA-N 0 0 336.432 2.470 10 10 EECERN Cc1nnc(N(C)C2CCC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001511763828 1118235634 /nfs/dbraw/zinc/23/56/34/1118235634.db2.gz LMLCANBGOPFNHO-UHFFFAOYSA-N 0 0 341.459 2.460 10 10 EECERN CC(=O)N[C@@H](CC(=O)NCc1cccc(O)c1O)c1cccs1 ZINC001520502162 1119170434 /nfs/dbraw/zinc/17/04/34/1119170434.db2.gz VFYYUHSFLZYWOA-LBPRGKRZSA-N 0 0 334.397 2.043 10 10 EECERN CC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001524116285 1119985651 /nfs/dbraw/zinc/98/56/51/1119985651.db2.gz NCXOTDBIFAQQSS-RISCZKNCSA-N 0 0 345.403 2.226 10 10 EECERN COc1ncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001531692640 1122508684 /nfs/dbraw/zinc/50/86/84/1122508684.db2.gz DUPYVZQVCBHTJM-UHFFFAOYSA-N 0 0 326.400 2.358 10 10 EECERN COC(=O)c1ccnc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001535619378 1123589028 /nfs/dbraw/zinc/58/90/28/1123589028.db2.gz NYNZJRAUYHRGKA-UHFFFAOYSA-N 0 0 331.347 2.003 10 10 EECERN CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000076201520 462820961 /nfs/dbraw/zinc/82/09/61/462820961.db2.gz ZQBTZQWFDLWWSX-INIZCTEOSA-N 0 0 347.484 2.215 10 10 EECERN Cc1noc(CN(Cc2nc(C)no2)c2ccc3c(c2)CCO3)n1 ZINC000031465575 463341368 /nfs/dbraw/zinc/34/13/68/463341368.db2.gz UHBDLDBCTHXCTA-UHFFFAOYSA-N 0 0 327.344 2.211 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282965491 463718119 /nfs/dbraw/zinc/71/81/19/463718119.db2.gz KUMVYKDJYNTBQT-MRXNPFEDSA-N 0 0 327.432 2.363 10 10 EECERN C[C@H]1C[C@@H](S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000289153008 464068953 /nfs/dbraw/zinc/06/89/53/464068953.db2.gz NEZPLRQZDWUAFX-BBRMVZONSA-N 0 0 326.462 2.082 10 10 EECERN Cc1nc(CN2CCCN(C(=O)c3cccc(O)c3O)CC2)cs1 ZINC000187075523 464096220 /nfs/dbraw/zinc/09/62/20/464096220.db2.gz QOHHELZBPRLQOS-UHFFFAOYSA-N 0 0 347.440 2.211 10 10 EECERN COc1ccc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)cc1 ZINC000263691491 464155293 /nfs/dbraw/zinc/15/52/93/464155293.db2.gz PSRUEQQZHRFNOJ-UHFFFAOYSA-N 0 0 326.396 2.292 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnn1CC(F)(F)F ZINC000294893549 464640543 /nfs/dbraw/zinc/64/05/43/464640543.db2.gz ABALSWLKKSIDAY-VIFPVBQESA-N 0 0 343.305 2.218 10 10 EECERN Cc1cc(CO)oc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000282851672 464974463 /nfs/dbraw/zinc/97/44/63/464974463.db2.gz BUQOCDIZYSJXBI-UHFFFAOYSA-N 0 0 344.411 2.189 10 10 EECERN CCC[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccccc1O ZINC000371390583 465764254 /nfs/dbraw/zinc/76/42/54/465764254.db2.gz XZXSCCHSIXIZPJ-KRWDZBQOSA-N 0 0 332.444 2.242 10 10 EECERN Cc1cc(C(=O)NC2CCC(C(N)=O)CC2)c(C)n1-c1ccccn1 ZINC000731228366 577087554 /nfs/dbraw/zinc/08/75/54/577087554.db2.gz RPSRIHUYHKXONR-UHFFFAOYSA-N 0 0 340.427 2.263 10 10 EECERN Cc1cc(CCNC(=O)N=c2nc[nH]n2C)c(C)n1-c1ccccc1 ZINC000774049875 577379997 /nfs/dbraw/zinc/37/99/97/577379997.db2.gz JEMJRKHTGDNDEA-UHFFFAOYSA-N 0 0 338.415 2.009 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCC12OCCO2 ZINC000774430379 577398713 /nfs/dbraw/zinc/39/87/13/577398713.db2.gz HWTVURKJEVNMPD-INIZCTEOSA-N 0 0 331.412 2.430 10 10 EECERN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(C)Cc2ccccc2O)C1 ZINC000776246248 577455571 /nfs/dbraw/zinc/45/55/71/577455571.db2.gz HDDCAQFEZNWCNY-KBPBESRZSA-N 0 0 349.431 2.401 10 10 EECERN COC(=O)c1cncc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000776479192 577460546 /nfs/dbraw/zinc/46/05/46/577460546.db2.gz JQXMUPLYBZQKHY-JTQLQIEISA-N 0 0 345.355 2.465 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)Cc2ccc(N)nc2)c([N+](=O)[O-])c1 ZINC000768490730 577556879 /nfs/dbraw/zinc/55/68/79/577556879.db2.gz ZLRRACUPWDPWFM-YVMONPNESA-N 0 0 342.355 2.395 10 10 EECERN Cc1cc(C(=O)CN2CC[C@@H](NC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000762924376 577711496 /nfs/dbraw/zinc/71/14/96/577711496.db2.gz CRPSRODKESGYPT-OAHLLOKOSA-N 0 0 340.427 2.019 10 10 EECERN CC(C)(C)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1O ZINC000754063896 577799552 /nfs/dbraw/zinc/79/95/52/577799552.db2.gz CYLAPWSNLNJBMR-HZMBPMFUSA-N 0 0 349.387 2.159 10 10 EECERN CCn1nc(C(=O)N(C)Cc2ccccc2O)c(=O)c2ccccc21 ZINC000735688526 578164718 /nfs/dbraw/zinc/16/47/18/578164718.db2.gz XRLQFXPCKHRPJZ-UHFFFAOYSA-N 0 0 337.379 2.394 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)N(C)C1CC1 ZINC000736326962 578196137 /nfs/dbraw/zinc/19/61/37/578196137.db2.gz ZNRNBOWBIIOZQG-UHFFFAOYSA-N 0 0 337.489 2.448 10 10 EECERN COc1cc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c(O)cc1C ZINC000160258182 675087796 /nfs/dbraw/zinc/08/77/96/675087796.db2.gz UTEPYUOOXURBQV-CYBMUJFWSA-N 0 0 346.431 2.279 10 10 EECERN Cc1noc(CCC(=O)NCc2cc(Br)ccc2O)n1 ZINC000804737867 675611920 /nfs/dbraw/zinc/61/19/20/675611920.db2.gz RUDMDXUHPBGPRS-UHFFFAOYSA-N 0 0 340.177 2.095 10 10 EECERN CN(C)c1cc(F)c(C[NH+]2CCC3(CC2)COCCO3)cc1F ZINC000895697309 684692179 /nfs/dbraw/zinc/69/21/79/684692179.db2.gz NTEGEECIGUDZAN-UHFFFAOYSA-N 0 0 326.387 2.412 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nnc2n1CCCC2 ZINC000162629200 684795606 /nfs/dbraw/zinc/79/56/06/684795606.db2.gz APDITGUYIRAMHS-UHFFFAOYSA-N 0 0 336.355 2.431 10 10 EECERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928711624 687127409 /nfs/dbraw/zinc/12/74/09/687127409.db2.gz JZGDSUZNHVTUSF-GXFFZTMASA-N 0 0 340.420 2.095 10 10 EECERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H](O)C(F)F ZINC000897884144 691810923 /nfs/dbraw/zinc/81/09/23/691810923.db2.gz DSQVGKNCSNWZBF-MADCSZMMSA-N 0 0 331.340 2.447 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000905105332 694530558 /nfs/dbraw/zinc/53/05/58/694530558.db2.gz YWAUEWXJSPWXIB-MSOLQXFVSA-N 0 0 330.428 2.159 10 10 EECERN Cn1cc(CC2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)cn1 ZINC000899004208 693564716 /nfs/dbraw/zinc/56/47/16/693564716.db2.gz SJGLBXDRZAILEY-UHFFFAOYSA-N 0 0 343.408 2.361 10 10 EECERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O ZINC001142534016 1188238736 /nfs/dbraw/zinc/23/87/36/1188238736.db2.gz WQFLHWKADDFZBL-AWEZNQCLSA-N 0 0 338.404 2.263 10 10 EECERN CO[C@H](C(=O)Nc1c2nonc2ccc1Cl)C(=O)OC(C)(C)C ZINC001128704050 1194978099 /nfs/dbraw/zinc/97/80/99/1194978099.db2.gz CJZYXQRRYMHPFR-LLVKDONJSA-N 0 0 341.751 2.171 10 10 EECERN COc1ccnc(OC)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000864634211 1197855072 /nfs/dbraw/zinc/85/50/72/1197855072.db2.gz PAEDILJVQAOMNF-UHFFFAOYSA-N 0 0 329.400 2.437 10 10 EECERN Cc1cc(CN2CCN(CC(F)(F)F)C(=O)C2)ccc1N(C)C ZINC000815116952 1197855264 /nfs/dbraw/zinc/85/52/64/1197855264.db2.gz HOAHEYCQYYZMML-UHFFFAOYSA-N 0 0 329.366 2.268 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863762794 1197858132 /nfs/dbraw/zinc/85/81/32/1197858132.db2.gz GBLVTDORTUAWMF-CHWSQXEVSA-N 0 0 330.409 2.401 10 10 EECERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](Cc2cncs2)C1=O ZINC000871897502 1197959821 /nfs/dbraw/zinc/95/98/21/1197959821.db2.gz JKTBRGMLXNJXLM-ABAIWWIYSA-N 0 0 344.440 2.433 10 10 EECERN COC(=O)C[C@@H](C)CC(=O)NCc1cc(Br)ccc1O ZINC000811523878 1200106758 /nfs/dbraw/zinc/10/67/58/1200106758.db2.gz RAFWHVZJRYDNOP-VIFPVBQESA-N 0 0 344.205 2.360 10 10 EECERN CC(=O)c1cc(Cl)cc(Cn2cc(C(=O)OC(C)C)nn2)c1O ZINC000881000005 1201619559 /nfs/dbraw/zinc/61/95/59/1201619559.db2.gz XTSGNQSZHMUBCZ-UHFFFAOYSA-N 0 0 337.763 2.453 10 10 EECERN C[C@@H](NC(=O)NCCOCC(=O)OC(C)(C)C)c1ccccc1O ZINC000868889852 1201899495 /nfs/dbraw/zinc/89/94/95/1201899495.db2.gz UQSVZUGYHLBAIN-GFCCVEGCSA-N 0 0 338.404 2.111 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)c2ccnn2C)cc1 ZINC000869184956 1201957980 /nfs/dbraw/zinc/95/79/80/1201957980.db2.gz YKIARTPHEIBECF-AWEZNQCLSA-N 0 0 345.447 2.268 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCn3nccc32)c1 ZINC000869219595 1201967474 /nfs/dbraw/zinc/96/74/74/1201967474.db2.gz YUULWFOJNDWVDZ-RISCZKNCSA-N 0 0 330.388 2.493 10 10 EECERN COc1cccc(CNC(=O)N[C@H](c2ncccn2)C2CC2)c1O ZINC000925453022 1206113831 /nfs/dbraw/zinc/11/38/31/1206113831.db2.gz FHGBFNTZQZPYHW-AWEZNQCLSA-N 0 0 328.372 2.141 10 10 EECERN Nc1ccc(NC(=O)C(=O)NCC[C@@H]2OCCc3ccccc32)cc1 ZINC000927923189 1206317111 /nfs/dbraw/zinc/31/71/11/1206317111.db2.gz QKCDLWWUXLJOAX-KRWDZBQOSA-N 0 0 339.395 2.028 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1CCCN1Cc1ccccn1 ZINC000928706560 1206413450 /nfs/dbraw/zinc/41/34/50/1206413450.db2.gz XGVFIKBZGIRLBQ-INIZCTEOSA-N 0 0 329.375 2.207 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000929003811 1206436230 /nfs/dbraw/zinc/43/62/30/1206436230.db2.gz PUKMFYUTMFPYBC-ZBFHGGJFSA-N 0 0 330.384 2.114 10 10 EECERN COC(=O)CN(Cc1nn(C)cc1C)Cc1cc(Cl)ccc1O ZINC000929977194 1206524430 /nfs/dbraw/zinc/52/44/30/1206524430.db2.gz SWESXUHUMPGPCQ-UHFFFAOYSA-N 0 0 337.807 2.263 10 10 EECERN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1(S(C)(=O)=O)CC1 ZINC000796493527 1219493827 /nfs/dbraw/zinc/49/38/27/1219493827.db2.gz XZFJPEXDNVXELG-VIFPVBQESA-N 0 0 348.262 2.210 10 10 EECERN COc1ccccc1[C@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000900026902 1233984663 /nfs/dbraw/zinc/98/46/63/1233984663.db2.gz ORJUTHSSYKLGEC-SFHVURJKSA-N 0 0 328.412 2.453 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000800653161 1234405530 /nfs/dbraw/zinc/40/55/30/1234405530.db2.gz OTOOQSFFVWVOAI-CYBMUJFWSA-N 0 0 331.441 2.458 10 10 EECERN Cc1cc(Cl)cc(CNc2cccc(NC(=O)C(N)=O)c2)c1O ZINC000802656886 1237937309 /nfs/dbraw/zinc/93/73/09/1237937309.db2.gz WIIQKVJNTRIURQ-UHFFFAOYSA-N 0 0 333.775 2.390 10 10 EECERN C[C@H]1CC2(CN1c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CCOCC2 ZINC000826767851 1248067757 /nfs/dbraw/zinc/06/77/57/1248067757.db2.gz UBPZJRBPEQFZQI-NSHDSACASA-N 0 0 347.371 2.321 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@H](OC)[C@@H]2CCOC2)cc1F ZINC000826940532 1248167026 /nfs/dbraw/zinc/16/70/26/1248167026.db2.gz DDROTKOJPWWIIR-RHSMWYFYSA-N 0 0 338.423 2.340 10 10 EECERN CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000827544554 1248408798 /nfs/dbraw/zinc/40/87/98/1248408798.db2.gz FFXYWGWQXRUOGK-LLVKDONJSA-N 0 0 329.803 2.372 10 10 EECERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](C3CCC3)C1)cc2=O ZINC000851709619 1277720655 /nfs/dbraw/zinc/72/06/55/1277720655.db2.gz UQIGEWDIDHDJPA-LBPRGKRZSA-N 0 0 330.388 2.145 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(C)n3)C2)cc1 ZINC000851982450 1291941710 /nfs/dbraw/zinc/94/17/10/1291941710.db2.gz IJEOEYSDEBTOEJ-MRXNPFEDSA-N 0 0 340.427 2.477 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3nc(C)no3)C2)cc1 ZINC000852190954 1292034164 /nfs/dbraw/zinc/03/41/64/1292034164.db2.gz ISGOXGDYMPQVMR-WCQYABFASA-N 0 0 345.403 2.026 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC3CC(F)(F)C3)C2)cc1 ZINC000852279845 1292076259 /nfs/dbraw/zinc/07/62/59/1292076259.db2.gz HRUKOBQALQVJKR-NSHDSACASA-N 0 0 325.359 2.371 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3csnn3)C2)cc1 ZINC000852382364 1292102542 /nfs/dbraw/zinc/10/25/42/1292102542.db2.gz DRWOKGYKHZBBLU-VXGBXAGGSA-N 0 0 347.444 2.186 10 10 EECERN CCC(CC)[C@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852452671 1292117751 /nfs/dbraw/zinc/11/77/51/1292117751.db2.gz BXHZRFMVIDPRDW-MAUKXSAKSA-N 0 0 349.475 2.370 10 10 EECERN CCC[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852454513 1292118960 /nfs/dbraw/zinc/11/89/60/1292118960.db2.gz PGZFGGABWPJUHX-CRAIPNDOSA-N 0 0 347.459 2.484 10 10 EECERN CC1(C)Cc2n[nH]cc2CN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000852966310 1292244991 /nfs/dbraw/zinc/24/49/91/1292244991.db2.gz PFUQEGSSWJCYAN-UHFFFAOYSA-N 0 0 327.432 2.329 10 10 EECERN Cc1cc(CC(=O)N2C[C@H](C)CS2(=O)=O)c(C)n1-c1ccccc1 ZINC000853128391 1292290966 /nfs/dbraw/zinc/29/09/66/1292290966.db2.gz SBOCKOMTBGUGMS-ZDUSSCGKSA-N 0 0 346.452 2.445 10 10 EECERN CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296652 1292708301 /nfs/dbraw/zinc/70/83/01/1292708301.db2.gz FOLJVLICEVPKRO-HZPDHXFCSA-N 0 0 346.475 2.010 10 10 EECERN CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)(C)O ZINC000854297886 1292709256 /nfs/dbraw/zinc/70/92/56/1292709256.db2.gz SQZPPEXTYHDVJK-CJNGLKHVSA-N 0 0 335.448 2.123 10 10 EECERN CC[C@]1(CO)CCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299311 1292709926 /nfs/dbraw/zinc/70/99/26/1292709926.db2.gz NQTYUFHMBPXVEX-HNAYVOBHSA-N 0 0 347.459 2.220 10 10 EECERN COCC1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854301127 1292712115 /nfs/dbraw/zinc/71/21/15/1292712115.db2.gz IXBJWDUBCRJOMK-INIZCTEOSA-N 0 0 347.459 2.342 10 10 EECERN COCC1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854301128 1292712340 /nfs/dbraw/zinc/71/23/40/1292712340.db2.gz IXBJWDUBCRJOMK-MRXNPFEDSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)n3cccn3)C2)cc1 ZINC000854981183 1293019011 /nfs/dbraw/zinc/01/90/11/1293019011.db2.gz LMUZURWTUBMPDP-HNNXBMFYSA-N 0 0 342.443 2.270 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccnc(OC)c3)C2)cc1 ZINC000855223939 1293116734 /nfs/dbraw/zinc/11/67/34/1293116734.db2.gz CZOSVKKTLYPIBT-OAHLLOKOSA-N 0 0 341.411 2.036 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3cn(C)nc3Cl)C2)cc1 ZINC000855227376 1293119764 /nfs/dbraw/zinc/11/97/64/1293119764.db2.gz WAHKAGAPCOJKMN-CYBMUJFWSA-N 0 0 348.834 2.020 10 10 EECERN Cc1cc(CC(=O)N2CCC(=O)N(C)CC2)c(C)n1-c1ccccc1 ZINC000855918488 1293367308 /nfs/dbraw/zinc/36/73/08/1293367308.db2.gz DHMRVIPCEORNPV-UHFFFAOYSA-N 0 0 339.439 2.327 10 10 EECERN COc1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)sn1 ZINC000857302004 1293786603 /nfs/dbraw/zinc/78/66/03/1293786603.db2.gz CQUZDFJJGGRORH-LLVKDONJSA-N 0 0 333.413 2.169 10 10 EECERN COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1 ZINC000858835154 1294239698 /nfs/dbraw/zinc/23/96/98/1294239698.db2.gz AZOMKMKMPDHJMD-SJORKVTESA-N 0 0 346.427 2.014 10 10 EECERN COc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)co1 ZINC000860347564 1294935330 /nfs/dbraw/zinc/93/53/30/1294935330.db2.gz POYKKNAWSQMCGX-CYBMUJFWSA-N 0 0 332.356 2.210 10 10 EECERN Cc1c(C(=O)NCc2ccc3cccnc3c2O)nn2c1OCCC2 ZINC000862026692 1295661112 /nfs/dbraw/zinc/66/11/12/1295661112.db2.gz XESAKLKCDSOJRJ-UHFFFAOYSA-N 0 0 338.367 2.158 10 10 EECERN CCOc1ccc(CN[C@H](C[C@H]2CCCOC2)C(=O)OC)c(O)c1 ZINC000862516135 1295864726 /nfs/dbraw/zinc/86/47/26/1295864726.db2.gz LJFSGLRNCUZZQV-CZUORRHYSA-N 0 0 337.416 2.239 10 10 EECERN Cc1cc(C(=O)NC[C@@](C)(O)CO)c(C)n1-c1cccc(Cl)c1 ZINC000798263856 1304965624 /nfs/dbraw/zinc/96/56/24/1304965624.db2.gz IXSHFWMGHZNEKQ-QGZVFWFLSA-N 0 0 336.819 2.221 10 10 EECERN CCc1ccc([C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCN2)cc1 ZINC001139137281 1314710367 /nfs/dbraw/zinc/71/03/67/1314710367.db2.gz AKVDORUYPCNOAF-KRWDZBQOSA-N 0 0 340.423 2.376 10 10 EECERN COCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000840916109 1315435541 /nfs/dbraw/zinc/43/55/41/1315435541.db2.gz XIXLDMFCIIIQEQ-UHFFFAOYSA-N 0 0 335.381 2.370 10 10 EECERN COCCn1ncc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc21 ZINC001142401014 1315593554 /nfs/dbraw/zinc/59/35/54/1315593554.db2.gz IKQIZIBOFYOQBI-UHFFFAOYSA-N 0 0 341.367 2.275 10 10 EECERN COc1ncncc1CNCc1ccc(N2CCSCC2)cc1 ZINC000842669862 1315751135 /nfs/dbraw/zinc/75/11/35/1315751135.db2.gz DUKUOVQONRJHKM-UHFFFAOYSA-N 0 0 330.457 2.328 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)COc3ccsn3)C2)cc1 ZINC001142797672 1315752140 /nfs/dbraw/zinc/75/21/40/1315752140.db2.gz GFSJJFRRCABBDA-CYBMUJFWSA-N 0 0 347.440 2.173 10 10 EECERN COc1ccc(F)c(OC)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC001150488796 1316278854 /nfs/dbraw/zinc/27/88/54/1316278854.db2.gz WUMZRQCERUKXQU-UHFFFAOYSA-N 0 0 335.331 2.227 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)NCC[C@@H](O)C(C)C)C2)cc1 ZINC001252116484 1317557553 /nfs/dbraw/zinc/55/75/53/1317557553.db2.gz SBANANWHZYUXCH-CRAIPNDOSA-N 0 0 349.475 2.228 10 10 EECERN Cc1nc(-c2ncccn2)sc1C(=O)NCc1c(O)cccc1O ZINC001156881209 1318257866 /nfs/dbraw/zinc/25/78/66/1318257866.db2.gz UTBNQGBQXLVFHY-UHFFFAOYSA-N 0 0 342.380 2.250 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC(C)(C)C2)cc1 ZINC001261686097 1322154306 /nfs/dbraw/zinc/15/43/06/1322154306.db2.gz CUTOOCNURMKMOU-UHFFFAOYSA-N 0 0 331.460 2.454 10 10 EECERN CCC(=CC(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1)CC ZINC001282969952 1325860932 /nfs/dbraw/zinc/86/09/32/1325860932.db2.gz FMTFLANWZPYFEV-UHFFFAOYSA-N 0 0 345.403 2.441 10 10 EECERN CCCC(=O)NC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285456836 1326999458 /nfs/dbraw/zinc/99/94/58/1326999458.db2.gz ASCRIAWXSMDURW-XZFMURBMSA-N 0 0 331.376 2.051 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC001292704871 1328476835 /nfs/dbraw/zinc/47/68/35/1328476835.db2.gz ASHDLGOYPYWITJ-QGZVFWFLSA-N 0 0 331.343 2.380 10 10 EECERN COC(=O)c1cc(C)cc(C(=O)NCc2ccc(OC)cc2O)c1 ZINC001296968081 1329935326 /nfs/dbraw/zinc/93/53/26/1329935326.db2.gz IWBDZPYHGNQTPR-UHFFFAOYSA-N 0 0 329.352 2.426 10 10 EECERN COCCCOc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001297561960 1329983783 /nfs/dbraw/zinc/98/37/83/1329983783.db2.gz LFSIXWACDVUYHS-UHFFFAOYSA-N 0 0 345.395 2.372 10 10 EECERN Cc1cc(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001303823541 1331366523 /nfs/dbraw/zinc/36/65/23/1331366523.db2.gz JVBUFFWETGCPJI-OHFIKTQHSA-N 0 0 342.439 2.325 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC001325847284 1333973572 /nfs/dbraw/zinc/97/35/72/1333973572.db2.gz SJKRLOCGNREVEZ-PIIMJCKOSA-N 0 0 343.471 2.406 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC001326499399 1334105220 /nfs/dbraw/zinc/10/52/20/1334105220.db2.gz ZUEDSHFAYJVANF-HZPDHXFCSA-N 0 0 342.798 2.172 10 10 EECERN CN1CCCc2cc(CNC(=O)[C@@H]3CNC(=O)c4ccccc43)ccc21 ZINC001328740335 1334512314 /nfs/dbraw/zinc/51/23/14/1334512314.db2.gz JKKOKKOEZCORRF-GOSISDBHSA-N 0 0 349.434 2.212 10 10 EECERN C[C@H](NC(=O)C(=O)NCCc1ccsc1)c1ccc(N(C)C)cc1 ZINC001328949691 1334554726 /nfs/dbraw/zinc/55/47/26/1334554726.db2.gz GGSNCIBZIRJUIL-ZDUSSCGKSA-N 0 0 345.468 2.350 10 10 EECERN O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC2(C1)CCCCC2 ZINC001329378963 1334637028 /nfs/dbraw/zinc/63/70/28/1334637028.db2.gz MCPFPNBZJHUEBD-UHFFFAOYSA-N 0 0 328.412 2.417 10 10 EECERN O=C(Nc1ccnn1C[C@H]1CCOC1)N1Cc2cccc(O)c2C1 ZINC001333150069 1335971369 /nfs/dbraw/zinc/97/13/69/1335971369.db2.gz CDVGZSOGMRJKEB-GFCCVEGCSA-N 0 0 328.372 2.173 10 10 EECERN CCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001333803164 1336136599 /nfs/dbraw/zinc/13/65/99/1336136599.db2.gz RNUJZSKKZFAHPN-MNOVXSKESA-N 0 0 333.392 2.272 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001340921402 1337266370 /nfs/dbraw/zinc/26/63/70/1337266370.db2.gz SPCJAYGVARNCPQ-KBAYOESNSA-N 0 0 341.455 2.208 10 10 EECERN C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC12CCC2 ZINC001351923703 1337868116 /nfs/dbraw/zinc/86/81/16/1337868116.db2.gz XWXDKSZTBJXDAH-CYBMUJFWSA-N 0 0 328.412 2.273 10 10 EECERN O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1c(F)ccc(O)c1O ZINC000848391279 1338696542 /nfs/dbraw/zinc/69/65/42/1338696542.db2.gz BTVZLOOJPHWXNM-OIBJUYFYSA-N 0 0 337.269 2.467 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3ccc(O)cn3)CC2)cc1 ZINC001611011601 1352293418 /nfs/dbraw/zinc/29/34/18/1352293418.db2.gz QCQPFYQBXZYKCI-UHFFFAOYSA-N 0 0 327.384 2.195 10 10 EECERN COC(=O)c1cc(OCc2cccc(C(N)=O)c2)ccc1N(C)C ZINC001614869922 1352321799 /nfs/dbraw/zinc/32/17/99/1352321799.db2.gz ZGCYROPVACSEKG-UHFFFAOYSA-N 0 0 328.368 2.217 10 10 EECERN Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1cc(O)ccc1O ZINC001593881065 1349873173 /nfs/dbraw/zinc/87/31/73/1349873173.db2.gz DROAGLYDOHVUOL-UHFFFAOYSA-N 0 0 347.321 2.351 10 10 EECERN CCOC(=O)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCC1 ZINC001624791161 1352430925 /nfs/dbraw/zinc/43/09/25/1352430925.db2.gz TWXSBZJHUIEUHM-UHFFFAOYSA-N 0 0 332.360 2.407 10 10 EECERN CCCC[C@@H](NC(N)=O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001628951385 1352545883 /nfs/dbraw/zinc/54/58/83/1352545883.db2.gz WCMWWPGOEDBHJH-QGZVFWFLSA-N 0 0 346.475 2.472 10 10 EECERN Cn1cccc1[C@@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001633759659 1352617179 /nfs/dbraw/zinc/61/71/79/1352617179.db2.gz OSIUWTRANTUROM-PKYBCLHXSA-N 0 0 328.368 2.050 10 10 EECERN CN(CCCNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccn1 ZINC001636581002 1352666585 /nfs/dbraw/zinc/66/65/85/1352666585.db2.gz OXECPQZEHVGLEF-CLFYSBASSA-N 0 0 327.384 2.149 10 10 EECERN Cn1c(CNC(=O)Cc2ccc(O)c(O)c2)nc2cc(Cl)ccc21 ZINC001639076237 1352694479 /nfs/dbraw/zinc/69/44/79/1352694479.db2.gz SFLUTDVQMQLYDR-UHFFFAOYSA-N 0 0 345.786 2.497 10 10 EECERN CC(C)Cn1ncc2cc(C(=O)NCc3c(O)cccc3O)cnc21 ZINC001639289865 1352696488 /nfs/dbraw/zinc/69/64/88/1352696488.db2.gz ZKCPHTFGNFNTIX-UHFFFAOYSA-N 0 0 340.383 2.429 10 10 EECERN C=CC(=O)Nc1ccc(O)c(C(=O)NCc2cc(C)ccc2O)c1 ZINC001640800157 1352714391 /nfs/dbraw/zinc/71/43/91/1352714391.db2.gz FYKHBVYTCDROBJ-UHFFFAOYSA-N 0 0 326.352 2.461 10 10 EECERN COc1ccc(N(C)CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001646865082 1353017284 /nfs/dbraw/zinc/01/72/84/1353017284.db2.gz SCCADEBKAZWUKR-UHFFFAOYSA-N 0 0 348.424 2.174 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CCc2nncn2CC1 ZINC001652708749 1354099824 /nfs/dbraw/zinc/09/98/24/1354099824.db2.gz LFVQNEXQHRPXAB-AWEZNQCLSA-N 0 0 336.395 2.406 10 10 EECERN O=C(Cn1cnc2sccc2c1=O)NCc1cccc(Cl)c1O ZINC001653563768 1354127510 /nfs/dbraw/zinc/12/75/10/1354127510.db2.gz MEVATROLQFJTTK-UHFFFAOYSA-N 0 0 349.799 2.133 10 10 EECERN COCCS(=O)(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC001141784686 782335778 /nfs/dbraw/zinc/33/57/78/782335778.db2.gz LTWIYSPYFMLRIR-UHFFFAOYSA-N 0 0 341.410 2.126 10 10 EECERN C[C@@H](NC(=O)c1cn2c(n1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000843537566 757038868 /nfs/dbraw/zinc/03/88/68/757038868.db2.gz XTFIOJZBSZDWIS-CQSZACIVSA-N 0 0 340.427 2.157 10 10 EECERN CN(C)c1ccc(CNC(=O)Nc2cnc(N(C)C)nc2)cc1F ZINC000154829552 769434192 /nfs/dbraw/zinc/43/41/92/769434192.db2.gz VOCPHHDBOWMJRC-UHFFFAOYSA-N 0 0 332.383 2.069 10 10 EECERN CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)C1=CC(=O)CS1 ZINC000846661792 790386491 /nfs/dbraw/zinc/38/64/91/790386491.db2.gz NJOQURNIXVLUMR-NSHDSACASA-N 0 0 327.402 2.074 10 10 EECERN C[C@H](NC(=O)c1ccc2c(n1)OCCO2)c1ccc(N(C)C)cc1 ZINC000846978621 790820901 /nfs/dbraw/zinc/82/09/01/790820901.db2.gz OXXLTRWLTQRTPG-LBPRGKRZSA-N 0 0 327.384 2.410 10 10 EECERN Cc1cc(C)c(CC(=O)NCc2ccc(N(C)C)c(F)c2)c(=O)[nH]1 ZINC000906454829 783925731 /nfs/dbraw/zinc/92/57/31/783925731.db2.gz RZNDQRHUABXPSQ-UHFFFAOYSA-N 0 0 331.391 2.468 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1nnn(C)c1C(F)(F)F ZINC000906714597 784097320 /nfs/dbraw/zinc/09/73/20/784097320.db2.gz VBQNXXIQTXUUDO-UHFFFAOYSA-N 0 0 341.337 2.138 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H](C)[C@H]3CCCO3)CC2)cc1F ZINC000906949523 784291160 /nfs/dbraw/zinc/29/11/60/784291160.db2.gz HRKMDYYFIPBQAI-XJKSGUPXSA-N 0 0 336.407 2.298 10 10 EECERN CC[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000817157204 784547458 /nfs/dbraw/zinc/54/74/58/784547458.db2.gz ZWQTYHBABJOJAI-SJLPKXTDSA-N 0 0 347.459 2.280 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000820058357 785763774 /nfs/dbraw/zinc/76/37/74/785763774.db2.gz QMYTYRKRVSFZJA-OAHLLOKOSA-N 0 0 339.395 2.121 10 10 EECERN Cc1cc(CC(=O)N[C@@H](C)Cn2cncn2)c(C)n1-c1ccccc1 ZINC000822416976 787190702 /nfs/dbraw/zinc/19/07/02/787190702.db2.gz DAUDGEKCDUXDIA-AWEZNQCLSA-N 0 0 337.427 2.433 10 10 EECERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276410 787347371 /nfs/dbraw/zinc/34/73/71/787347371.db2.gz MFHYEYMDZNEFHG-LTCOOKNTSA-N 0 0 332.444 2.309 10 10 EECERN CCC/C=C\[C@H](O)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276857 787347996 /nfs/dbraw/zinc/34/79/96/787347996.db2.gz OZKMAKWFBQNYLT-YMTSHVIYSA-N 0 0 332.444 2.355 10 10 EECERN O=C(CN1CSCCSC1)NCc1ccc2cccnc2c1O ZINC000911261744 787354952 /nfs/dbraw/zinc/35/49/52/787354952.db2.gz MLDIQNKOJUOAHF-UHFFFAOYSA-N 0 0 349.481 2.254 10 10 EECERN CC(=O)N[C@](C)(C(=O)NCc1ccc2cccnc2c1O)C(C)C ZINC000823182705 787596800 /nfs/dbraw/zinc/59/68/00/787596800.db2.gz XNCCGANJMAWDPA-SFHVURJKSA-N 0 0 329.400 2.107 10 10 EECERN CCOc1ccncc1S(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000830534960 787687393 /nfs/dbraw/zinc/68/73/93/787687393.db2.gz KXEYAOIFTRMPNY-UHFFFAOYSA-N 0 0 349.456 2.333 10 10 EECERN O=C1OCCN1C[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824455082 788191355 /nfs/dbraw/zinc/19/13/55/788191355.db2.gz ODKAHJKBGPWVGL-JTQLQIEISA-N 0 0 328.771 2.459 10 10 EECERN Cn1nnc2c1C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000922992670 788511669 /nfs/dbraw/zinc/51/16/69/788511669.db2.gz FFHYIHVFUKVUQN-SNVBAGLBSA-N 0 0 327.215 2.475 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C1CS(=O)(=O)C1 ZINC000913143050 788666674 /nfs/dbraw/zinc/66/66/74/788666674.db2.gz YGACGUGUMMZFEO-UHFFFAOYSA-N 0 0 338.454 2.025 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC000843850757 788689923 /nfs/dbraw/zinc/68/99/23/788689923.db2.gz IGOGTQFZFHHDLY-NEPJUHHUSA-N 0 0 329.400 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C(C)(C)OC)C2)cc1 ZINC000923185764 789079260 /nfs/dbraw/zinc/07/92/60/789079260.db2.gz PZARFYQXSQNBCK-ZIAGYGMSSA-N 0 0 335.448 2.387 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(O)c(O)c1 ZINC001147887659 792008818 /nfs/dbraw/zinc/00/88/18/792008818.db2.gz DDVXKRUERPJDJA-UHFFFAOYSA-N 0 0 328.368 2.132 10 10 EECERN Cc1onc(-c2cccnc2)c1C(=O)NCc1c(O)cccc1O ZINC001178910391 799695746 /nfs/dbraw/zinc/69/57/46/799695746.db2.gz DVPPGQNXQXRSOF-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN COC(=O)c1ccc2c(c1)N(C(=O)c1c[nH]nc1-c1cccnc1)CC2 ZINC001180659903 800516430 /nfs/dbraw/zinc/51/64/30/800516430.db2.gz VRQBHVAATVFFMY-UHFFFAOYSA-N 0 0 348.362 2.461 10 10 EECERN Cc1cc(C)c2c(N)c(C(=O)OCc3nc(N(C)C)no3)sc2n1 ZINC000787989656 807338632 /nfs/dbraw/zinc/33/86/32/807338632.db2.gz YDKBENPZDPYORL-UHFFFAOYSA-N 0 0 347.400 2.301 10 10 EECERN Cc1cc(O)c(CNc2ccc3c(c2)CN(CC(N)=O)CC3)cc1C ZINC000788530023 807581188 /nfs/dbraw/zinc/58/11/88/807581188.db2.gz VFAZGYJQZHOOCI-UHFFFAOYSA-N 0 0 339.439 2.465 10 10 EECERN CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000790619330 808847877 /nfs/dbraw/zinc/84/78/77/808847877.db2.gz QKVDFUUHGHFZRS-AAEUAGOBSA-N 0 0 346.265 2.402 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCCOC1 ZINC000804972480 811103998 /nfs/dbraw/zinc/10/39/98/811103998.db2.gz GXUKIEPTJJMWRJ-SNVBAGLBSA-N 0 0 343.221 2.381 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000808504553 812676128 /nfs/dbraw/zinc/67/61/28/812676128.db2.gz HGTMAESTXCZLTI-LBPRGKRZSA-N 0 0 346.408 2.214 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000808527225 812694835 /nfs/dbraw/zinc/69/48/35/812694835.db2.gz BDFFDTUPTOXOFP-MRVPVSSYSA-N 0 0 345.164 2.468 10 10 EECERN COc1cc(Br)ccc1CCC(=O)OCC(=O)C(C)=O ZINC000808535762 812707973 /nfs/dbraw/zinc/70/79/73/812707973.db2.gz YAYQFVXJJOGFCL-UHFFFAOYSA-N 0 0 343.173 2.092 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2NC(=O)CO3)c1 ZINC001566374365 1125598426 /nfs/dbraw/zinc/59/84/26/1125598426.db2.gz FYFFIYKJRMECAG-SNVBAGLBSA-N 0 0 342.351 2.223 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001445941378 1091878548 /nfs/dbraw/zinc/87/85/48/1091878548.db2.gz XNDFSSZVRUEMNN-AWEZNQCLSA-N 0 0 335.787 2.186 10 10 EECERN COc1cccc(CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c1O ZINC001445971238 1091925508 /nfs/dbraw/zinc/92/55/08/1091925508.db2.gz UNPXIHGLYCNROL-UHFFFAOYSA-N 0 0 342.273 2.450 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC001450674132 1095042161 /nfs/dbraw/zinc/04/21/61/1095042161.db2.gz SQUPMPAKIQWMDO-MRXNPFEDSA-N 0 0 338.407 2.304 10 10 EECERN CC(=O)OCCc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001546233379 1107851958 /nfs/dbraw/zinc/85/19/58/1107851958.db2.gz WEPBDVLKEASYLY-UHFFFAOYSA-N 0 0 329.352 2.385 10 10 EECERN O=C(c1cnn(CCO)c1-c1ccccc1)N1Cc2cccc(O)c2C1 ZINC001455036972 1108129461 /nfs/dbraw/zinc/12/94/61/1108129461.db2.gz MZPSUYRWDBRBFD-UHFFFAOYSA-N 0 0 349.390 2.404 10 10 EECERN Cc1ccc(C2=NO[C@@H](C(=O)NCc3cccc(O)c3O)C2)cc1 ZINC001455318020 1108425214 /nfs/dbraw/zinc/42/52/14/1108425214.db2.gz YBOXCASTGLNHIC-MRXNPFEDSA-N 0 0 326.352 2.216 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)OC)O2)cc1 ZINC001463780490 1110380304 /nfs/dbraw/zinc/38/03/04/1110380304.db2.gz WRBNXRCFRCVRNS-SJORKVTESA-N 0 0 348.443 2.212 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(OC)nsc1OC ZINC001467841100 1110464873 /nfs/dbraw/zinc/46/48/73/1110464873.db2.gz SEWAXJLBPZNWKZ-UHFFFAOYSA-N 0 0 343.401 2.282 10 10 EECERN NC(=O)c1ccc(OCC(F)F)c(NC(=O)C2=CC(=O)CS2)c1 ZINC001468684159 1110478511 /nfs/dbraw/zinc/47/85/11/1110478511.db2.gz IMSPWEWSTUCIJZ-UHFFFAOYSA-N 0 0 342.323 2.449 10 10 EECERN CC(C)(NC(=O)Nc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC001469160968 1110486077 /nfs/dbraw/zinc/48/60/77/1110486077.db2.gz WZTXFDYWNGNYNQ-UHFFFAOYSA-N 0 0 343.383 2.314 10 10 EECERN O=C(Cc1csc(-c2ccccn2)n1)NCc1ccc(O)cc1O ZINC001469153910 1110486086 /nfs/dbraw/zinc/48/60/86/1110486086.db2.gz XFZKHOQFJXYLEL-UHFFFAOYSA-N 0 0 341.392 2.475 10 10 EECERN Cn1ncc(C2CC2)c1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001470213623 1110503130 /nfs/dbraw/zinc/50/31/30/1110503130.db2.gz GZKHQRQCISCAQU-UHFFFAOYSA-N 0 0 326.360 2.390 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2cc(O)ccc2O)C1 ZINC001471661855 1110527664 /nfs/dbraw/zinc/52/76/64/1110527664.db2.gz FKYXTRQPXJDGBU-ZDUSSCGKSA-N 0 0 348.399 2.328 10 10 EECERN COC(=O)C1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC001472343496 1110552822 /nfs/dbraw/zinc/55/28/22/1110552822.db2.gz CXPDBZWUFVUPCY-UHFFFAOYSA-N 0 0 342.395 2.348 10 10 EECERN COc1nn(C)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001516250794 1118999645 /nfs/dbraw/zinc/99/96/45/1118999645.db2.gz OWLJEPUCLXMDGX-UHFFFAOYSA-N 0 0 348.366 2.391 10 10 EECERN CCOCCN(C)c1nnc(C)n1Cc1ccc(N(C)C)cc1C ZINC001516707577 1119013850 /nfs/dbraw/zinc/01/38/50/1119013850.db2.gz GNFXQIRBAFVPTJ-UHFFFAOYSA-N 0 0 331.464 2.482 10 10 EECERN CCN(CCNC(=O)C1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001528722110 1121141324 /nfs/dbraw/zinc/14/13/24/1121141324.db2.gz VRBMJQMQYHHKLS-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN CN(C(=O)c1cn(C)nc1-c1cnn(C)c1)c1ccc(Cl)nc1 ZINC001530894214 1122154638 /nfs/dbraw/zinc/15/46/38/1122154638.db2.gz IDXVDOOPHWWSDX-UHFFFAOYSA-N 0 0 330.779 2.146 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(CO)nc1 ZINC001540488594 1124084412 /nfs/dbraw/zinc/08/44/12/1124084412.db2.gz WJJAUDVZOSRMSW-UHFFFAOYSA-N 0 0 325.412 2.446 10 10 EECERN CCCNC(=O)CN(CCC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001543338848 1124127710 /nfs/dbraw/zinc/12/77/10/1124127710.db2.gz KRVTWOLQRXVFLL-UHFFFAOYSA-N 0 0 333.392 2.227 10 10 EECERN O=C(c1cccc(O)c1O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000193043567 237366273 /nfs/dbraw/zinc/36/62/73/237366273.db2.gz AZMSYPPHTQNSGN-LLVKDONJSA-N 0 0 328.372 2.044 10 10 EECERN CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000283916275 464040941 /nfs/dbraw/zinc/04/09/41/464040941.db2.gz INWPBIYYFFHOID-YPMHNXCESA-N 0 0 346.811 2.201 10 10 EECERN C[C@@H]1CN(c2ccc(CNC(=O)N3CCCO3)cc2F)C[C@H](C)O1 ZINC000284008416 464066417 /nfs/dbraw/zinc/06/64/17/464066417.db2.gz IUAZDROQHMUKTE-BETUJISGSA-N 0 0 337.395 2.286 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187564811 464140918 /nfs/dbraw/zinc/14/09/18/464140918.db2.gz DRLSGOHASNGHCE-KURKYZTESA-N 0 0 327.428 2.430 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-n2cncn2)c1 ZINC000173187627 464206613 /nfs/dbraw/zinc/20/66/13/464206613.db2.gz RYZOJEFJYKSPTA-UHFFFAOYSA-N 0 0 349.394 2.373 10 10 EECERN COc1ccc(O)c(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000375262017 466833170 /nfs/dbraw/zinc/83/31/70/466833170.db2.gz MJUNCASGIZVUQJ-INIZCTEOSA-N 0 0 331.416 2.325 10 10 EECERN CN1CCCN(C(=O)c2ccnc3c2CC(=O)N3)c2ccc(F)cc21 ZINC000611758331 469317080 /nfs/dbraw/zinc/31/70/80/469317080.db2.gz JFCCPBUPZATPDK-UHFFFAOYSA-N 0 0 340.358 2.202 10 10 EECERN Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)nnn1C(C)C ZINC000292200111 533795923 /nfs/dbraw/zinc/79/59/23/533795923.db2.gz OREHOQJFMBXRDR-UHFFFAOYSA-N 0 0 327.432 2.480 10 10 EECERN COC(=O)C=Cc1ccc(N2CCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000299371470 522742791 /nfs/dbraw/zinc/74/27/91/522742791.db2.gz VVXZKVSGDQIVNV-HWKANZROSA-N 0 0 328.328 2.067 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000298992176 523713133 /nfs/dbraw/zinc/71/31/33/523713133.db2.gz NNNOELSNFCECLB-CQSZACIVSA-N 0 0 327.384 2.124 10 10 EECERN COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)o3)CC2)cc1 ZINC000773279142 577329434 /nfs/dbraw/zinc/32/94/34/577329434.db2.gz SVQZUKVXEJPTQX-UHFFFAOYSA-N 0 0 336.413 2.108 10 10 EECERN Cn1cc([C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(F)(F)F)cn1 ZINC000773851263 577368734 /nfs/dbraw/zinc/36/87/34/577368734.db2.gz VVUYGJAQCLZCSC-PKXJPQMGSA-N 0 0 341.289 2.264 10 10 EECERN Cc1nc2cc(NC(=O)C(=O)NCc3ccccc3O)ccc2o1 ZINC000774196846 577388367 /nfs/dbraw/zinc/38/83/67/577388367.db2.gz NNPMVNJUBBZTKB-UHFFFAOYSA-N 0 0 325.324 2.097 10 10 EECERN CCOC(=O)CN(Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1 ZINC000775072026 577428738 /nfs/dbraw/zinc/42/87/38/577428738.db2.gz WIMGQBQUBXFUSU-UHFFFAOYSA-N 0 0 338.360 2.227 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCSC[C@@H]1CCO ZINC000775434908 577437252 /nfs/dbraw/zinc/43/72/52/577437252.db2.gz JYRVGYUWGQPFMV-INIZCTEOSA-N 0 0 337.489 2.070 10 10 EECERN CNC(=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000776283717 577456886 /nfs/dbraw/zinc/45/68/86/577456886.db2.gz PBTBTIRLIKJJLY-UHFFFAOYSA-N 0 0 346.358 2.095 10 10 EECERN O=C(COC(=O)c1cccc(O)c1O)N1CCC[C@H](C(F)(F)F)C1 ZINC000758573575 577627581 /nfs/dbraw/zinc/62/75/81/577627581.db2.gz VXEISHOIXYHSOE-VIFPVBQESA-N 0 0 347.289 2.056 10 10 EECERN CC(C)(C)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1O ZINC000754063905 577799550 /nfs/dbraw/zinc/79/95/50/577799550.db2.gz CYLAPWSNLNJBMR-YGRLFVJLSA-N 0 0 349.387 2.159 10 10 EECERN C[C@@H](NC(=O)C1CCC(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000746169278 577923495 /nfs/dbraw/zinc/92/34/95/577923495.db2.gz XQDNMFPMDNNESV-CQSZACIVSA-N 0 0 330.428 2.460 10 10 EECERN COC(=O)c1c(CN2CC(C(C)(C)O)C2)c2cc(F)ccc2n1C ZINC000894977700 683447659 /nfs/dbraw/zinc/44/76/59/683447659.db2.gz WJJQQGVCPIBIBQ-UHFFFAOYSA-N 0 0 334.391 2.307 10 10 EECERN O=C1N(CC[NH2+]Cc2ccc(F)c(F)c2[O-])C[C@H]2CCCCN12 ZINC000895341895 684518762 /nfs/dbraw/zinc/51/87/62/684518762.db2.gz DBNQZHJLEPIRAA-GFCCVEGCSA-N 0 0 325.359 2.050 10 10 EECERN CS[C@H](CO)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897065757 686091823 /nfs/dbraw/zinc/09/18/23/686091823.db2.gz PBESWDJZXTZADM-FUXBKTLASA-N 0 0 327.427 2.155 10 10 EECERN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841978093 1188213523 /nfs/dbraw/zinc/21/35/23/1188213523.db2.gz UKANWEKXZHVBPC-UFBFGSQYSA-N 0 0 332.231 2.496 10 10 EECERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000905457482 1189735613 /nfs/dbraw/zinc/73/56/13/1189735613.db2.gz XDWWIBGYKBBHTQ-ZTFGCOKTSA-N 0 0 332.444 2.153 10 10 EECERN COc1ccc(N2CCCN(C(=O)[C@H](C)c3cncnc3)CC2)cc1 ZINC000863860720 1197904497 /nfs/dbraw/zinc/90/44/97/1197904497.db2.gz UWLUHGQYSJPIKL-OAHLLOKOSA-N 0 0 340.427 2.328 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCCc3cccnc32)c1 ZINC000872295757 1198134275 /nfs/dbraw/zinc/13/42/75/1198134275.db2.gz YETOKIMKFVFCNS-BQYQJAHWSA-N 0 0 336.395 2.219 10 10 EECERN COC[C@@H]1CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000814363956 1199445219 /nfs/dbraw/zinc/44/52/19/1199445219.db2.gz SEWFGVVNUVATMW-INIZCTEOSA-N 0 0 335.473 2.170 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2nncn2CC1 ZINC000878008141 1200211639 /nfs/dbraw/zinc/21/16/39/1200211639.db2.gz BKWMOSCVXXGATJ-INIZCTEOSA-N 0 0 341.459 2.345 10 10 EECERN COC(OC)[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000923673022 1200463366 /nfs/dbraw/zinc/46/33/66/1200463366.db2.gz GXJVOELOCOGRKB-ZDUSSCGKSA-N 0 0 335.448 2.434 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000812509423 1200743931 /nfs/dbraw/zinc/74/39/31/1200743931.db2.gz OCAIZXWFVAHOJR-LBPRGKRZSA-N 0 0 332.322 2.044 10 10 EECERN COc1ccc(N2CCN(C(=O)NCCCCF)CC2)cc1F ZINC000812926963 1201000262 /nfs/dbraw/zinc/00/02/62/1201000262.db2.gz QCJPEQOZBIWGAO-UHFFFAOYSA-N 0 0 327.375 2.416 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]nc2[C@H]2CCCO2)c1 ZINC000866762978 1201600522 /nfs/dbraw/zinc/60/05/22/1201600522.db2.gz BJFFFDBYOYJSBU-MEBBXXQBSA-N 0 0 331.372 2.466 10 10 EECERN CC(=O)c1cc(F)cc(Cn2cc([C@@H]3CCCC[C@H]3O)nn2)c1O ZINC000880996170 1201619377 /nfs/dbraw/zinc/61/93/77/1201619377.db2.gz PCFNPRJXXYQRII-XJKSGUPXSA-N 0 0 333.363 2.392 10 10 EECERN COc1cccc(OC)c1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836575 1201691189 /nfs/dbraw/zinc/69/11/89/1201691189.db2.gz YBZPOOVHHAFDGM-NSHDSACASA-N 0 0 337.397 2.449 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@@H]3CC34CC4)CC2)c(OC)c1 ZINC000868724723 1201867195 /nfs/dbraw/zinc/86/71/95/1201867195.db2.gz QMWOSCHBYWLXIW-MRXNPFEDSA-N 0 0 331.416 2.088 10 10 EECERN Cc1cc(C(=O)Cn2nnnc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000132008394 1202078019 /nfs/dbraw/zinc/07/80/19/1202078019.db2.gz VQXIJKOBUNGCGP-UHFFFAOYSA-N 0 0 339.355 2.001 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C(N)=O)C2)cc1 ZINC000887787085 1204459056 /nfs/dbraw/zinc/45/90/56/1204459056.db2.gz DEGISUIWEDWNRN-JKSUJKDBSA-N 0 0 331.460 2.393 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](C[C@H]2CCCO2)C1=O ZINC000924670948 1206014919 /nfs/dbraw/zinc/01/49/19/1206014919.db2.gz JEIKZSIHUQOQRE-CVEARBPZSA-N 0 0 331.416 2.051 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000927567461 1206277391 /nfs/dbraw/zinc/27/73/91/1206277391.db2.gz BNJJRBPSSJDLMH-BQHLAXKMSA-N 0 0 331.290 2.337 10 10 EECERN CCC(CC)[C@H](C(=O)NCc1c(O)cccc1F)N1CCOCC1 ZINC000928706094 1206413417 /nfs/dbraw/zinc/41/34/17/1206413417.db2.gz QBIKFWUKCVHWMY-QGZVFWFLSA-N 0 0 338.423 2.285 10 10 EECERN Cc1cnn(Cc2cc(C(=O)NCc3ccc(N(C)C)cc3)no2)c1 ZINC000159731939 1208496715 /nfs/dbraw/zinc/49/67/15/1208496715.db2.gz YNJDTEGDVVQJGM-UHFFFAOYSA-N 0 0 339.399 2.224 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000304201003 1214404559 /nfs/dbraw/zinc/40/45/59/1214404559.db2.gz AGSPCYYPTUSCRU-IBGZPJMESA-N 0 0 341.455 2.464 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC000900733000 1234726367 /nfs/dbraw/zinc/72/63/67/1234726367.db2.gz PYTRTWTVDOEOFT-UHFFFAOYSA-N 0 0 341.411 2.164 10 10 EECERN CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc(Cl)c1[O-] ZINC000903363172 1240312612 /nfs/dbraw/zinc/31/26/12/1240312612.db2.gz MEXWVCNQWYZIKP-ZFWWWQNUSA-N 0 0 347.864 2.290 10 10 EECERN CO[C@@H](C[NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000850344860 1277191144 /nfs/dbraw/zinc/19/11/44/1277191144.db2.gz ZLBVWENJDOOYHX-YGRLFVJLSA-N 0 0 330.222 2.296 10 10 EECERN C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850485823 1277243326 /nfs/dbraw/zinc/24/33/26/1277243326.db2.gz OAGQUPSVAPCRRP-NSHDSACASA-N 0 0 342.417 2.166 10 10 EECERN CC[C@@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001487714297 1286332782 /nfs/dbraw/zinc/33/27/82/1286332782.db2.gz LMJBUAKOWNKDEX-NEPJUHHUSA-N 0 0 347.419 2.472 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CSC3(C)C)C2)cc1 ZINC000852313237 1292087965 /nfs/dbraw/zinc/08/79/65/1292087965.db2.gz FOHIFEQBDDIKLX-SWLSCSKDSA-N 0 0 335.473 2.467 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCSC3)C2)cc1 ZINC000852449653 1292116760 /nfs/dbraw/zinc/11/67/60/1292116760.db2.gz VMSOKLVDLJEODV-KGLIPLIRSA-N 0 0 335.473 2.469 10 10 EECERN COC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1C)C1CCOCC1 ZINC000852468497 1292120952 /nfs/dbraw/zinc/12/09/52/1292120952.db2.gz PIRGJCDOEOYGSM-GOSISDBHSA-N 0 0 349.475 2.302 10 10 EECERN Nc1ccc(Cc2nc(C(=O)N[C@H](CO)C3CCC3)cs2)cc1 ZINC000852903221 1292229348 /nfs/dbraw/zinc/22/93/48/1292229348.db2.gz WYGGSIYIUPLMES-CQSZACIVSA-N 0 0 331.441 2.207 10 10 EECERN CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296654 1292707756 /nfs/dbraw/zinc/70/77/56/1292707756.db2.gz FOLJVLICEVPKRO-JKSUJKDBSA-N 0 0 346.475 2.010 10 10 EECERN Cc1cc(CC(=O)N[C@H](C)C(=O)NCCF)c(C)n1-c1ccccc1 ZINC000854342862 1292737256 /nfs/dbraw/zinc/73/72/56/1292737256.db2.gz AKYOZWUWLIYJDL-CQSZACIVSA-N 0 0 345.418 2.227 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3ccnc(C)n3)C2)cc1 ZINC000855224280 1293116587 /nfs/dbraw/zinc/11/65/87/1293116587.db2.gz DZGFRJKLOSCYEM-MRXNPFEDSA-N 0 0 340.427 2.121 10 10 EECERN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC000855871460 1293349878 /nfs/dbraw/zinc/34/98/78/1293349878.db2.gz YMPXSVQRFVJOPX-OHOWAWRESA-N 0 0 341.411 2.372 10 10 EECERN CO[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000858154808 1294026067 /nfs/dbraw/zinc/02/60/67/1294026067.db2.gz RTFQRJIMVBHFNU-WOVMCDHWSA-N 0 0 349.500 2.464 10 10 EECERN Cn1nccc1C(NCc1cc(Cl)ccc1O)c1ccnn1C ZINC000858321539 1294082475 /nfs/dbraw/zinc/08/24/75/1294082475.db2.gz IFJUNBSWAAUFIJ-UHFFFAOYSA-N 0 0 331.807 2.392 10 10 EECERN O=C(COCc1cc[nH]c(=O)c1)NCCCSc1nccs1 ZINC000859351051 1294404856 /nfs/dbraw/zinc/40/48/56/1294404856.db2.gz JQMFCRWYIDDEOG-UHFFFAOYSA-N 0 0 339.442 2.059 10 10 EECERN CC(C)(C)n1cc(C(=O)NCc2ccc3cccnc3c2O)nn1 ZINC000862026598 1295660771 /nfs/dbraw/zinc/66/07/71/1295660771.db2.gz USFTZFBQAUHXLY-UHFFFAOYSA-N 0 0 325.372 2.217 10 10 EECERN CCS(=O)(=O)c1ccc(CC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862760256 1295955047 /nfs/dbraw/zinc/95/50/47/1295955047.db2.gz OSAFLJAEXYUGTI-UHFFFAOYSA-N 0 0 347.436 2.353 10 10 EECERN COc1cc(OC)c2c(c1)N(C(=O)/C=C\c1cnccn1)CCC2 ZINC000862776356 1295959423 /nfs/dbraw/zinc/95/94/23/1295959423.db2.gz WYYLTWWUNNJSJT-WAYWQWQTSA-N 0 0 325.368 2.486 10 10 EECERN CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000927053693 1296999556 /nfs/dbraw/zinc/99/95/56/1296999556.db2.gz KRQDWMHVPKBFNK-CYBMUJFWSA-N 0 0 347.415 2.427 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3cccnc3C)C2)cc1 ZINC001118777733 1308940876 /nfs/dbraw/zinc/94/08/76/1308940876.db2.gz LVHOFNNMOMELJY-INIZCTEOSA-N 0 0 325.412 2.336 10 10 EECERN CO[C@H]1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC001119697790 1309163156 /nfs/dbraw/zinc/16/31/56/1309163156.db2.gz ZXVPHZGQNGJLPG-STQMWFEESA-N 0 0 338.791 2.377 10 10 EECERN CCc1ccc([C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCN2)cc1 ZINC001139137282 1314710467 /nfs/dbraw/zinc/71/04/67/1314710467.db2.gz AKVDORUYPCNOAF-QGZVFWFLSA-N 0 0 340.423 2.376 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccn(C)c1=O ZINC000839917146 1315258978 /nfs/dbraw/zinc/25/89/78/1315258978.db2.gz AIEXUIJVNXRNAS-AWEZNQCLSA-N 0 0 327.428 2.121 10 10 EECERN Cn1nccc1[C@H](NCc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000843433197 1315914634 /nfs/dbraw/zinc/91/46/34/1315914634.db2.gz XDIBVELHCNNTCB-HNNXBMFYSA-N 0 0 335.379 2.437 10 10 EECERN COc1ccc(CNC(=O)Cc2cccc(NC(C)=O)c2)c(O)c1 ZINC001155574374 1317657623 /nfs/dbraw/zinc/65/76/23/1317657623.db2.gz IEMCEHVIRDHWNB-UHFFFAOYSA-N 0 0 328.368 2.218 10 10 EECERN CCCCO[C@H](C)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC001162539646 1320891836 /nfs/dbraw/zinc/89/18/36/1320891836.db2.gz KBLUAWNVSLFFQE-CQSZACIVSA-N 0 0 337.416 2.489 10 10 EECERN CO[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC001264286924 1322669388 /nfs/dbraw/zinc/66/93/88/1322669388.db2.gz CWIIOZQBBQQHQG-WMZOPIPTSA-N 0 0 332.444 2.297 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@]2(O)CCc3ccccc32)cc1 ZINC001295395322 1329808221 /nfs/dbraw/zinc/80/82/21/1329808221.db2.gz VGULGZMKYRTTCE-GOSISDBHSA-N 0 0 338.367 2.413 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccco1 ZINC001295590492 1329824146 /nfs/dbraw/zinc/82/41/46/1329824146.db2.gz KBINIODDCBIZJM-UHFFFAOYSA-N 0 0 337.759 2.383 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nnc(C(F)F)o1 ZINC001296245052 1329877147 /nfs/dbraw/zinc/87/71/47/1329877147.db2.gz AZYQSWKYQSLPKF-MRVPVSSYSA-N 0 0 341.314 2.098 10 10 EECERN CC(C)CC(=O)NC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298229048 1330046645 /nfs/dbraw/zinc/04/66/45/1330046645.db2.gz ZVAJBKVVESGVCV-OPAYYZTASA-N 0 0 345.403 2.297 10 10 EECERN Cc1nn(C)c2nc(C)c(C(=O)NCc3c(O)cccc3F)cc12 ZINC001303878579 1331369295 /nfs/dbraw/zinc/36/92/95/1331369295.db2.gz NPBNEOPJJQUPIQ-UHFFFAOYSA-N 0 0 328.347 2.360 10 10 EECERN C[C@H]1C[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001325698304 1333942861 /nfs/dbraw/zinc/94/28/61/1333942861.db2.gz XKZRWIYVRHJRTK-DOTOQJQBSA-N 0 0 343.471 2.408 10 10 EECERN COC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccnn1C ZINC001329499642 1334663258 /nfs/dbraw/zinc/66/32/58/1334663258.db2.gz YHVLOKNSHJGUDA-KRWDZBQOSA-N 0 0 328.416 2.024 10 10 EECERN C[C@H](NC(=O)C(=O)NCC[C@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC001331076646 1334959013 /nfs/dbraw/zinc/95/90/13/1334959013.db2.gz FYHSDVANHYZRJY-AAEUAGOBSA-N 0 0 339.386 2.091 10 10 EECERN CC(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001333825046 1336142371 /nfs/dbraw/zinc/14/23/71/1336142371.db2.gz CVVBKBWANFJWIY-QWRGUYRKSA-N 0 0 333.392 2.128 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@]23C[C@@H]2CCCC3)cc1 ZINC001335051748 1336330978 /nfs/dbraw/zinc/33/09/78/1336330978.db2.gz ZHAWTDCFDALAPO-OXJNMPFZSA-N 0 0 343.471 2.408 10 10 EECERN CC[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1 ZINC001344065998 1337363803 /nfs/dbraw/zinc/36/38/03/1337363803.db2.gz POEIFLYKIVTNKK-ZFWWWQNUSA-N 0 0 346.431 2.100 10 10 EECERN Cn1nccc1C[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001348172640 1337541357 /nfs/dbraw/zinc/54/13/57/1337541357.db2.gz PGKZDPSVJMLPFN-PKYBCLHXSA-N 0 0 327.384 2.078 10 10 EECERN CN(C)c1ccc(/C=C\C[NH2+][C@H](Cc2ccncc2)C(=O)[O-])cc1 ZINC000848637696 1338734349 /nfs/dbraw/zinc/73/43/49/1338734349.db2.gz VZCFVNLITAPFIF-DDKKJVIOSA-N 0 0 325.412 2.446 10 10 EECERN COc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(O)c(O)c1)CCO2 ZINC001611207908 1352296936 /nfs/dbraw/zinc/29/69/36/1352296936.db2.gz PCMSCBJTZAQGPY-CQSZACIVSA-N 0 0 329.352 2.289 10 10 EECERN COc1cc(N(C)Cc2cccc(C(N)=O)c2)c([N+](=O)[O-])cc1OC ZINC001611849417 1352304622 /nfs/dbraw/zinc/30/46/22/1352304622.db2.gz MNPJWGHCPMGGIG-UHFFFAOYSA-N 0 0 345.355 2.347 10 10 EECERN Cc1n[nH]c(=O)c(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1C ZINC001615397681 1352323916 /nfs/dbraw/zinc/32/39/16/1352323916.db2.gz OXTJQKADYBBDOS-UHFFFAOYSA-N 0 0 345.380 2.355 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1c(C)[nH][nH]c1=O ZINC001615925171 1352325726 /nfs/dbraw/zinc/32/57/26/1352325726.db2.gz FKRQLXOMJVSKGJ-ZDUSSCGKSA-N 0 0 344.440 2.397 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC001557255984 1342444750 /nfs/dbraw/zinc/44/47/50/1342444750.db2.gz VTIAPXAPRHWRLE-GWCFXTLKSA-N 0 0 333.306 2.257 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccc(C(F)(F)F)[nH]c1=O ZINC001558159648 1342466415 /nfs/dbraw/zinc/46/64/15/1342466415.db2.gz KOFOSUMJGGZJAN-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN O=C(Cc1nc(C(F)(F)F)cs1)NCc1cccc(O)c1O ZINC001558161046 1342466957 /nfs/dbraw/zinc/46/69/57/1342466957.db2.gz FPNPSXHQYWMRIP-UHFFFAOYSA-N 0 0 332.303 2.432 10 10 EECERN Cc1cc(F)cc(-n2cc(C(=O)NCc3c(O)cccc3O)nn2)c1 ZINC001558533589 1342480807 /nfs/dbraw/zinc/48/08/07/1342480807.db2.gz HXRAOLNIWHMHPY-UHFFFAOYSA-N 0 0 342.330 2.056 10 10 EECERN COc1ccccc1O[C@H](C)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001587076108 1348857635 /nfs/dbraw/zinc/85/76/35/1348857635.db2.gz YYRUHAKALSWSLK-GFCCVEGCSA-N 0 0 331.368 2.233 10 10 EECERN O=C(Cc1c[nH]c2cnc(Cl)cc12)NCc1cc(O)ccc1O ZINC001593882431 1349873538 /nfs/dbraw/zinc/87/35/38/1349873538.db2.gz XGIVTSNTXJNFBS-UHFFFAOYSA-N 0 0 331.759 2.486 10 10 EECERN CC(C)C(=O)Nc1cc(C(=O)NCc2c(O)cccc2O)ccn1 ZINC001597574167 1349928044 /nfs/dbraw/zinc/92/80/44/1349928044.db2.gz JBDXEFXPGJMSQW-UHFFFAOYSA-N 0 0 329.356 2.017 10 10 EECERN CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001624701094 1352428031 /nfs/dbraw/zinc/42/80/31/1352428031.db2.gz GGLKMQQJPOXQBD-ZDUSSCGKSA-N 0 0 347.375 2.200 10 10 EECERN COC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccs1 ZINC001624926037 1352434871 /nfs/dbraw/zinc/43/48/71/1352434871.db2.gz UVQHTDNDALZNRQ-LLVKDONJSA-N 0 0 335.381 2.122 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)Cc2ccco2)cc1 ZINC001625269997 1352444355 /nfs/dbraw/zinc/44/43/55/1352444355.db2.gz OTCJEXWVIOKNIL-NSHDSACASA-N 0 0 330.344 2.023 10 10 EECERN O=C(NCCCOc1ncccn1)c1cc2cc(O)c(O)cc2s1 ZINC001627902829 1352513273 /nfs/dbraw/zinc/51/32/73/1352513273.db2.gz BANAVXBUDLJOAG-UHFFFAOYSA-N 0 0 345.380 2.301 10 10 EECERN C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1O ZINC001632250163 1352595404 /nfs/dbraw/zinc/59/54/04/1352595404.db2.gz LXPADKCPOSKBLR-NSHDSACASA-N 0 0 344.323 2.369 10 10 EECERN CC(=O)c1cccc(O[C@H](C)C(=O)NCc2cccc(O)c2O)c1 ZINC001633507378 1352611420 /nfs/dbraw/zinc/61/14/20/1352611420.db2.gz GYDSITYDWPIQOD-GFCCVEGCSA-N 0 0 329.352 2.384 10 10 EECERN CNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001638272746 1352686638 /nfs/dbraw/zinc/68/66/38/1352686638.db2.gz BRKQOCDVQVYUAM-CYBMUJFWSA-N 0 0 347.375 2.200 10 10 EECERN Cc1nn(C)c2ncc(C(=O)NCc3ccc4cccnc4c3O)cc12 ZINC001643283459 1352745180 /nfs/dbraw/zinc/74/51/80/1352745180.db2.gz XFCOGXREOWSVDJ-UHFFFAOYSA-N 0 0 347.378 2.461 10 10 EECERN C[C@@H](C(=O)NCc1cc(O)ccc1O)N1CCc2ccccc2C1 ZINC001644752509 1352767936 /nfs/dbraw/zinc/76/79/36/1352767936.db2.gz IHIQPRAQYYKXRM-ZDUSSCGKSA-N 0 0 326.396 2.161 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cnc2c(F)cc(F)cc2c1O ZINC001644754050 1352768102 /nfs/dbraw/zinc/76/81/02/1352768102.db2.gz PFQYHMGSOCEPSS-UHFFFAOYSA-N 0 0 346.289 2.148 10 10 EECERN Cc1ccc(C)n1-c1c(C(=O)NCc2c(O)cccc2O)cnn1C ZINC001645361012 1352777332 /nfs/dbraw/zinc/77/73/32/1352777332.db2.gz SYDZIEMQQSYCEI-UHFFFAOYSA-N 0 0 340.383 2.169 10 10 EECERN COc1ccc(O)c([C@@H](C)Nc2nc(N)nc(C(F)(F)F)n2)c1 ZINC001651498139 1354055027 /nfs/dbraw/zinc/05/50/27/1354055027.db2.gz LCVPZXNYDQFGEN-ZCFIWIBFSA-N 0 0 329.282 2.360 10 10 EECERN C/C(=C/C(=O)NCc1c(O)ccc2ccccc21)CN1CCOCC1 ZINC001652709078 1354099797 /nfs/dbraw/zinc/09/97/97/1354099797.db2.gz UTZNJVCBTQCEIT-QINSGFPZSA-N 0 0 340.423 2.440 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC001686800499 1358484361 /nfs/dbraw/zinc/48/43/61/1358484361.db2.gz LPVLCPNMXCSBFT-UHFFFAOYSA-N 0 0 348.424 2.137 10 10 EECERN O=S1(=O)CCC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000694814342 761973286 /nfs/dbraw/zinc/97/32/86/761973286.db2.gz RBOXYLWJMWFYGU-LLVKDONJSA-N 0 0 348.262 2.212 10 10 EECERN C[C@H](CNC(=O)NCc1c(O)cccc1F)CC1(C)OCCO1 ZINC000921439306 773373948 /nfs/dbraw/zinc/37/39/48/773373948.db2.gz XNKNSGLINFFDGQ-NSHDSACASA-N 0 0 326.368 2.120 10 10 EECERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180814538 775081868 /nfs/dbraw/zinc/08/18/68/775081868.db2.gz BZPPOBKVELSPPT-LXSSAFMLSA-N 0 0 329.400 2.209 10 10 EECERN COC(=O)N[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000228353840 790505255 /nfs/dbraw/zinc/50/52/55/790505255.db2.gz JLADYFNPSGYQOQ-JTQLQIEISA-N 0 0 329.194 2.085 10 10 EECERN CN(Cc1ccccc1O)C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000906992134 784305861 /nfs/dbraw/zinc/30/58/61/784305861.db2.gz RPLQMQDACLLDHM-SNVBAGLBSA-N 0 0 326.607 2.472 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=S)NC[C@@H]3CCCO3)C2)cc1 ZINC000819020790 785385564 /nfs/dbraw/zinc/38/55/64/785385564.db2.gz MBMPJULWHOXPQO-YOEHRIQHSA-N 0 0 349.500 2.165 10 10 EECERN CO[C@H](CCN1C(=O)CN(Cc2ccccc2O)C1=O)C(F)(F)F ZINC000819170978 785444575 /nfs/dbraw/zinc/44/45/75/785444575.db2.gz RADHRHSHJFWGAS-GFCCVEGCSA-N 0 0 346.305 2.124 10 10 EECERN CC[C@H](O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000822612986 787287574 /nfs/dbraw/zinc/28/75/74/787287574.db2.gz HRGYQOKZGRUBSW-NFAWXSAZSA-N 0 0 338.423 2.217 10 10 EECERN Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC000911885518 787794115 /nfs/dbraw/zinc/79/41/15/787794115.db2.gz YFLLJUHWKCUZAJ-UHFFFAOYSA-N 0 0 329.375 2.428 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)COCc1nccn1C ZINC000824234845 788094430 /nfs/dbraw/zinc/09/44/30/788094430.db2.gz UNWVJADKNZKHQK-UHFFFAOYSA-N 0 0 330.432 2.051 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000844152425 788864960 /nfs/dbraw/zinc/86/49/60/788864960.db2.gz JNWJOSFWEOSUAE-ZJUUUORDSA-N 0 0 339.363 2.477 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](C)CC3)C2)cc1 ZINC000923182091 789060137 /nfs/dbraw/zinc/06/01/37/789060137.db2.gz DAUDUNQEKRJPFL-CABCVRRESA-N 0 0 333.432 2.094 10 10 EECERN C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)cc(F)c1[O-] ZINC000846189900 790083695 /nfs/dbraw/zinc/08/36/95/790083695.db2.gz MXFDZSYMKPRMDP-BHNWBGBOSA-N 0 0 331.185 2.208 10 10 EECERN C[C@@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1)c1ccccc1O ZINC000913763557 794248255 /nfs/dbraw/zinc/24/82/55/794248255.db2.gz KHBKPTZOYDBQBM-XIKOKIGWSA-N 0 0 335.400 2.460 10 10 EECERN C[C@H](C(=O)N[C@@H](C)c1ccccc1O)n1nnc(-c2ccccc2)n1 ZINC001171730122 796707503 /nfs/dbraw/zinc/70/75/03/796707503.db2.gz KTLJDFXHWWEYCM-QWHCGFSZSA-N 0 0 337.383 2.484 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3cnnc(C)c3)CC2)cc1 ZINC000786168037 806714900 /nfs/dbraw/zinc/71/49/00/806714900.db2.gz KVJNGYBBNAPFGR-UHFFFAOYSA-N 0 0 326.400 2.146 10 10 EECERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccnn1C ZINC000817553701 800919803 /nfs/dbraw/zinc/91/98/03/800919803.db2.gz JFPAIXLWZIWIOL-GOEBONIOSA-N 0 0 343.427 2.437 10 10 EECERN COc1ccc(CNC(=O)c2cnc3ccc(C)cc3c2O)c(O)c1 ZINC001183275858 801529511 /nfs/dbraw/zinc/52/95/11/801529511.db2.gz OIJLKPJUSFJZLI-UHFFFAOYSA-N 0 0 338.363 2.481 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000788535297 807583390 /nfs/dbraw/zinc/58/33/90/807583390.db2.gz LULOFLDLJUWQGZ-HZMBPMFUSA-N 0 0 330.222 2.093 10 10 EECERN CC(C)[C@H](C)CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788929024 807745957 /nfs/dbraw/zinc/74/59/57/807745957.db2.gz FEICTLGFYFLLCI-OAHLLOKOSA-N 0 0 331.460 2.311 10 10 EECERN CN(C)c1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1F ZINC000804391746 810833645 /nfs/dbraw/zinc/83/36/45/810833645.db2.gz CBTQNRCJBYPQKP-UHFFFAOYSA-N 0 0 334.351 2.487 10 10 EECERN C[C@H](OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccn1C ZINC000806313264 811820404 /nfs/dbraw/zinc/82/04/04/811820404.db2.gz LVTVLUOAFWGFKS-AWEZNQCLSA-N 0 0 330.432 2.222 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000808510191 812681199 /nfs/dbraw/zinc/68/11/99/812681199.db2.gz IEVLNESAFYDWHQ-NWDGAFQWSA-N 0 0 325.158 2.254 10 10 EECERN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001446967182 1101675606 /nfs/dbraw/zinc/67/56/06/1101675606.db2.gz SKVQLTCFUXELAO-CYBMUJFWSA-N 0 0 335.400 2.078 10 10 EECERN O=C(C=Cc1ccccc1)NCCCNC(=O)C1=CC(=O)CS1 ZINC001448191904 1104153077 /nfs/dbraw/zinc/15/30/77/1104153077.db2.gz CUOUMXFWYOPJRE-FPLPWBNLSA-N 0 0 330.409 2.403 10 10 EECERN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cc(O)ccc1O ZINC001455350382 1108467725 /nfs/dbraw/zinc/46/77/25/1108467725.db2.gz BTULESKHUSKZGK-WDEREUQCSA-N 0 0 338.404 2.263 10 10 EECERN Cc1nnc2n1C[C@@H](C(=O)NCc1c(O)ccc3ccccc31)CC2 ZINC001456309111 1109138634 /nfs/dbraw/zinc/13/86/34/1109138634.db2.gz MFTAODAJHYVUST-AWEZNQCLSA-N 0 0 336.395 2.324 10 10 EECERN CN(C[C@@H](O)c1cccnc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001456948189 1109380491 /nfs/dbraw/zinc/38/04/91/1109380491.db2.gz KEUKDDSQWKEDSZ-CQSZACIVSA-N 0 0 327.344 2.050 10 10 EECERN COc1cccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+](C)C)c1 ZINC001463761004 1110380037 /nfs/dbraw/zinc/38/00/37/1110380037.db2.gz BWPTVRGOAFFZPJ-INIZCTEOSA-N 0 0 344.411 2.068 10 10 EECERN COc1ccc2c(c1)CN(C(=O)c1c(F)ccc(O)c1O)CCO2 ZINC001472564847 1110559375 /nfs/dbraw/zinc/55/93/75/1110559375.db2.gz YKPRUAZFFLKVHX-UHFFFAOYSA-N 0 0 333.315 2.280 10 10 EECERN C[C@@H](C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001502803251 1113805180 /nfs/dbraw/zinc/80/51/80/1113805180.db2.gz JFJFAMYYAAYBQE-WDEREUQCSA-N 0 0 345.403 2.130 10 10 EECERN CN(C)[C@]1(C(=O)N2Cc3cccc(O)c3C2)COc2ccccc2C1 ZINC001520380285 1119152944 /nfs/dbraw/zinc/15/29/44/1119152944.db2.gz IHRAQDKLDXVJQN-FQEVSTJZSA-N 0 0 338.407 2.170 10 10 EECERN CC/C(C)=C\C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001528101113 1120945228 /nfs/dbraw/zinc/94/52/28/1120945228.db2.gz BXCSHWGXBDNGBW-XGWOUVROSA-N 0 0 345.403 2.394 10 10 EECERN Cc1cccc(CN2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1 ZINC001540411005 1124081873 /nfs/dbraw/zinc/08/18/73/1124081873.db2.gz SUGGNMDGSCETGY-UHFFFAOYSA-N 0 0 340.423 2.293 10 10 EECERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccccc1O ZINC000088756299 529750266 /nfs/dbraw/zinc/75/02/66/529750266.db2.gz CPLGKZNDHLFQBA-CYBMUJFWSA-N 0 0 329.404 2.223 10 10 EECERN Cc1ccc(OC2CCN(C(=O)c3cccc(O)c3O)CC2)nc1 ZINC000193152871 237372289 /nfs/dbraw/zinc/37/22/89/237372289.db2.gz CBZRXJJBGJXYDU-UHFFFAOYSA-N 0 0 328.368 2.485 10 10 EECERN COc1cccc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000092040442 533482632 /nfs/dbraw/zinc/48/26/32/533482632.db2.gz VZATXXCIRBTKGN-GJZGRUSLSA-N 0 0 333.384 2.318 10 10 EECERN C[C@H](NC(=O)NC1CCC(O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000065279025 462751830 /nfs/dbraw/zinc/75/18/30/462751830.db2.gz NZFAOUMSXFZTMY-NXVRBGIVSA-N 0 0 347.459 2.187 10 10 EECERN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1nnc2n1CCCC2 ZINC000121411031 463131850 /nfs/dbraw/zinc/13/18/50/463131850.db2.gz KVXQOIVDCCFHPZ-LBPRGKRZSA-N 0 0 329.404 2.223 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[C@H](O)C1 ZINC000170603294 463682044 /nfs/dbraw/zinc/68/20/44/463682044.db2.gz UHKQOAVVGASMKH-HKUYNNGSSA-N 0 0 346.471 2.063 10 10 EECERN O=S(=O)(CC1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269753056 464081042 /nfs/dbraw/zinc/08/10/42/464081042.db2.gz ZYMHNUQEZYEQHL-OAHLLOKOSA-N 0 0 325.430 2.113 10 10 EECERN CCOCc1nc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)no1 ZINC000290775963 464131588 /nfs/dbraw/zinc/13/15/88/464131588.db2.gz MGTFLZGIGIPZNA-LBPRGKRZSA-N 0 0 347.419 2.233 10 10 EECERN CO[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000188800349 464372329 /nfs/dbraw/zinc/37/23/29/464372329.db2.gz MKPMXJHMKSSXOE-GJZGRUSLSA-N 0 0 349.475 2.118 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC([C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000264696366 464426955 /nfs/dbraw/zinc/42/69/55/464426955.db2.gz DCZWRVFEFTUCCI-FVOPLDGLSA-N 0 0 334.372 2.378 10 10 EECERN C[C@@H]1OCC[C@H]1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276120595 464814869 /nfs/dbraw/zinc/81/48/69/464814869.db2.gz YQWSUVLDYMBGRX-SUMWQHHRSA-N 0 0 338.473 2.224 10 10 EECERN CCOC[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301686124 466009286 /nfs/dbraw/zinc/00/92/86/466009286.db2.gz LPIJVBDHSJBESQ-NSHDSACASA-N 0 0 335.360 2.179 10 10 EECERN CN(Cc1ccc(O)cc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000302626983 466160810 /nfs/dbraw/zinc/16/08/10/466160810.db2.gz IHFSJMQEHAUSAI-UHFFFAOYSA-N 0 0 329.312 2.268 10 10 EECERN O=S(=O)(C1CC1)N1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000376751084 466930872 /nfs/dbraw/zinc/93/08/72/466930872.db2.gz NJEZOWSSQZOZKA-UHFFFAOYSA-N 0 0 344.864 2.046 10 10 EECERN Cc1ccc(C(=O)NC[C@]2(C)COc3ccccc3O2)c(O)c1O ZINC000529617416 467886657 /nfs/dbraw/zinc/88/66/57/467886657.db2.gz NGKNZJPDJDYXFI-GOSISDBHSA-N 0 0 329.352 2.366 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000121964723 533719065 /nfs/dbraw/zinc/71/90/65/533719065.db2.gz STCJUFVMXLQOJP-HNNXBMFYSA-N 0 0 346.452 2.353 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1CC(F)(F)F ZINC000291803613 534233993 /nfs/dbraw/zinc/23/39/93/534233993.db2.gz ZNUNVNVLABVCGZ-CMPLNLGQSA-N 0 0 346.349 2.172 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C(=O)OC)C2)cc1 ZINC000298888349 520898635 /nfs/dbraw/zinc/89/86/35/520898635.db2.gz OPKPZDIPCULRSE-OAHLLOKOSA-N 0 0 333.432 2.237 10 10 EECERN CC(C)(C)C[C@@H](O)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000291447645 527695440 /nfs/dbraw/zinc/69/54/40/527695440.db2.gz GSSJRWXRORIQNM-KRWDZBQOSA-N 0 0 334.460 2.327 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)c2cnn(C(C)(C)C)c2)c1 ZINC000728982185 576569387 /nfs/dbraw/zinc/56/93/87/576569387.db2.gz JWVZMZPCUXRUOO-LLVKDONJSA-N 0 0 345.399 2.412 10 10 EECERN O=C(NCCCSc1nccs1)N1CCSC[C@@H]1CCO ZINC000775442653 577437316 /nfs/dbraw/zinc/43/73/16/577437316.db2.gz HEVSDSMMXHBIRM-NSHDSACASA-N 0 0 347.531 2.135 10 10 EECERN C[C@@H]1COCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000767928824 577547456 /nfs/dbraw/zinc/54/74/56/577547456.db2.gz DKFLUKCOJHDAKA-BEFAXECRSA-N 0 0 346.471 2.184 10 10 EECERN Cn1c(COC(=O)/C=C/c2ccc(O)c(O)c2)nnc1C1CCC1 ZINC000759597873 577646280 /nfs/dbraw/zinc/64/62/80/577646280.db2.gz TZSZMFIIUINZBL-SOFGYWHQSA-N 0 0 329.356 2.250 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2C(F)F)cc1 ZINC000761118760 577677102 /nfs/dbraw/zinc/67/71/02/577677102.db2.gz ONXVIGOCQRGVOY-HNNXBMFYSA-N 0 0 325.403 2.441 10 10 EECERN CN(CCC1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761905714 577691295 /nfs/dbraw/zinc/69/12/95/577691295.db2.gz IKNVWKQTFVJFEX-UHFFFAOYSA-N 0 0 335.360 2.179 10 10 EECERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1ccc(N(C)C)cc1 ZINC000763481668 577721769 /nfs/dbraw/zinc/72/17/69/577721769.db2.gz TWNNGFNDDOTYMP-GOSISDBHSA-N 0 0 327.428 2.412 10 10 EECERN C[C@@H]([NH2+]Cc1cnn(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000806168755 675522047 /nfs/dbraw/zinc/52/20/47/675522047.db2.gz ZKLOAPJRKLSEIA-SSDOTTSWSA-N 0 0 329.173 2.273 10 10 EECERN COCc1cc(C(=O)NCc2cc(Br)ccc2O)no1 ZINC000804739216 675612015 /nfs/dbraw/zinc/61/20/15/675612015.db2.gz BEWFDJIXEGGOLA-UHFFFAOYSA-N 0 0 341.161 2.219 10 10 EECERN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724594245 678579116 /nfs/dbraw/zinc/57/91/16/678579116.db2.gz MATUQGUJNADRFF-XWIASGKRSA-N 0 0 346.196 2.187 10 10 EECERN Cc1ccccc1[C@H](C)NC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000255832580 679946547 /nfs/dbraw/zinc/94/65/47/679946547.db2.gz COEBEWRQUYFZHD-NCPSJORJSA-N 0 0 345.468 2.429 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H](C)[S@@](C)=O ZINC000165813826 682423001 /nfs/dbraw/zinc/42/30/01/682423001.db2.gz XFOGGFZYMVFHMA-XMHCIUCPSA-N 0 0 325.478 2.017 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000914254372 683431383 /nfs/dbraw/zinc/43/13/83/683431383.db2.gz HOMIAGIAALYZIN-NJAFHUGGSA-N 0 0 347.459 2.136 10 10 EECERN CCN(CC)c1ccc(CN2CC(C3CS(=O)(=O)C3)C2)cc1F ZINC000895428764 684595687 /nfs/dbraw/zinc/59/56/87/684595687.db2.gz XDGTVZDOPLFGJO-UHFFFAOYSA-N 0 0 340.464 2.148 10 10 EECERN COc1cc(C)cc(CNCc2nnc(C3CCOCC3)[nH]2)c1O ZINC000895439708 684601264 /nfs/dbraw/zinc/60/12/64/684601264.db2.gz IJFMBLRKTIMMIL-UHFFFAOYSA-N 0 0 332.404 2.011 10 10 EECERN CC(=O)N1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895521631 684631274 /nfs/dbraw/zinc/63/12/74/684631274.db2.gz LMMUAODAFCFLMV-UHFFFAOYSA-N 0 0 334.397 2.053 10 10 EECERN O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000895773160 684719025 /nfs/dbraw/zinc/71/90/25/684719025.db2.gz OVFGTGILPPCBES-ZDUSSCGKSA-N 0 0 345.226 2.084 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)c1 ZINC000896362525 684954760 /nfs/dbraw/zinc/95/47/60/684954760.db2.gz SNNVFGOCLVNNPV-CQSZACIVSA-N 0 0 334.416 2.054 10 10 EECERN C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896903383 685762490 /nfs/dbraw/zinc/76/24/90/685762490.db2.gz OZGNPORORCYOKM-KOLCDFICSA-N 0 0 337.397 2.236 10 10 EECERN O=C(C[C@H]1CCC2(CCOCC2)CO1)NCCc1ccc(O)c(O)c1 ZINC000897067263 686093299 /nfs/dbraw/zinc/09/32/99/686093299.db2.gz GLAAPRDMXRSCMB-OAHLLOKOSA-N 0 0 349.427 2.122 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@@H](C(=O)NC)C(C)C)cc1 ZINC000178424370 688087041 /nfs/dbraw/zinc/08/70/41/688087041.db2.gz HZNVDNKTJIZGKH-MRXNPFEDSA-N 0 0 334.464 2.103 10 10 EECERN CCN1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000897521989 690840022 /nfs/dbraw/zinc/84/00/22/690840022.db2.gz RMMDBTJUOIXMIP-UHFFFAOYSA-N 0 0 334.397 2.007 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000897550028 691582789 /nfs/dbraw/zinc/58/27/89/691582789.db2.gz XZNMKXQDOHCHCW-LLVKDONJSA-N 0 0 346.408 2.149 10 10 EECERN CO[C@H]1COCC[C@@H]1N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899224938 693670565 /nfs/dbraw/zinc/67/05/65/693670565.db2.gz YEZSKSOBCNJTNF-GWCFXTLKSA-N 0 0 337.397 2.188 10 10 EECERN C[C@@H](NC(=O)CSc1nnc2ccccn21)c1ccccc1O ZINC001648890110 1176753374 /nfs/dbraw/zinc/75/33/74/1176753374.db2.gz ZYEUPUWVSOWADI-LLVKDONJSA-N 0 0 328.397 2.404 10 10 EECERN CC(C)OCCCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481607562 1181862806 /nfs/dbraw/zinc/86/28/06/1181862806.db2.gz RTTSAXQKIHTAEI-UHFFFAOYSA-N 0 0 347.419 2.078 10 10 EECERN O=C(NCCCSc1nccs1)N1CC(F)(F)C[C@@H]1CO ZINC000780538940 1187192971 /nfs/dbraw/zinc/19/29/71/1187192971.db2.gz SCPBJZWQDODBFM-SECBINFHSA-N 0 0 337.417 2.037 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)[C@H]1CC(c2ccccn2)=NO1 ZINC001128704676 1194979925 /nfs/dbraw/zinc/97/99/25/1194979925.db2.gz UOXPJXQGRGMXJP-GFCCVEGCSA-N 0 0 343.730 2.403 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)/C=C\COC2CCOCC2)cc1 ZINC000864634971 1197856533 /nfs/dbraw/zinc/85/65/33/1197856533.db2.gz VDINARXDRROBLD-PLNGDYQASA-N 0 0 332.444 2.463 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000865904952 1198420229 /nfs/dbraw/zinc/42/02/29/1198420229.db2.gz VKMVATBDSKUPKI-KGLIPLIRSA-N 0 0 346.349 2.024 10 10 EECERN CN1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O ZINC000825904481 1199779879 /nfs/dbraw/zinc/77/98/79/1199779879.db2.gz BWSMGRWWDBACSW-MRXNPFEDSA-N 0 0 342.395 2.382 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CN(C)C(=O)[C@H]2C)cc1F ZINC000825965533 1199940206 /nfs/dbraw/zinc/94/02/06/1199940206.db2.gz YNDVYYOMPJDIBQ-GFCCVEGCSA-N 0 0 336.411 2.002 10 10 EECERN COc1ccc(N2CCN(C(=O)CCOCC3CC3)CC2)c(OC)c1 ZINC000870164991 1200529480 /nfs/dbraw/zinc/52/94/80/1200529480.db2.gz JYTHPRATOGAERQ-UHFFFAOYSA-N 0 0 348.443 2.169 10 10 EECERN CON(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000871244555 1201120274 /nfs/dbraw/zinc/12/02/74/1201120274.db2.gz FAFLUYYEGVUIDE-MXMFLMJRSA-N 0 0 337.372 2.231 10 10 EECERN COc1ccc(O)c(CNC(=O)c2nn(C3CCOCC3)cc2C)c1 ZINC000866766719 1201601316 /nfs/dbraw/zinc/60/13/16/1201601316.db2.gz BSHDOHWTDXFNLV-UHFFFAOYSA-N 0 0 345.399 2.187 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000868966734 1201914376 /nfs/dbraw/zinc/91/43/76/1201914376.db2.gz XMRIJUZFGFDNOK-GZBFAFLISA-N 0 0 335.400 2.097 10 10 EECERN COc1ccc(CNC(=O)NC[C@H]2CCC23CCOCC3)c(O)c1 ZINC000869030332 1201925768 /nfs/dbraw/zinc/92/57/68/1201925768.db2.gz PZKITHWNKTYPHA-CQSZACIVSA-N 0 0 334.416 2.407 10 10 EECERN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)NCc3c(O)cccc3F)O2)CO1 ZINC000924051754 1205932204 /nfs/dbraw/zinc/93/22/04/1205932204.db2.gz MLKOOMDBXTXRNO-BWACUDIHSA-N 0 0 338.379 2.057 10 10 EECERN COC(=O)CC1CC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000924911365 1206050019 /nfs/dbraw/zinc/05/00/19/1206050019.db2.gz FSIXWKKPERKLHZ-UHFFFAOYSA-N 0 0 333.432 2.236 10 10 EECERN COC(=O)CC1CC(NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000924936491 1206053105 /nfs/dbraw/zinc/05/31/05/1206053105.db2.gz RXVGTHADKHAQKX-UHFFFAOYSA-N 0 0 326.780 2.187 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H](c1ncccn1)C1CC1 ZINC000925198685 1206082664 /nfs/dbraw/zinc/08/26/64/1206082664.db2.gz LFOQPABEWALAJV-MRXNPFEDSA-N 0 0 338.367 2.098 10 10 EECERN C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1F ZINC000778625280 1208308060 /nfs/dbraw/zinc/30/80/60/1208308060.db2.gz SSECYGPIXIYQDS-WMLDXEAASA-N 0 0 335.423 2.413 10 10 EECERN CCN1CN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1=O ZINC000190556299 1209913896 /nfs/dbraw/zinc/91/38/96/1209913896.db2.gz POEUETQSWNUYBI-UHFFFAOYSA-N 0 0 336.395 2.228 10 10 EECERN Cc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccn1C ZINC000195270384 1211361655 /nfs/dbraw/zinc/36/16/55/1211361655.db2.gz GOVLNQUURSPJDE-UHFFFAOYSA-N 0 0 341.455 2.472 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C/c2cncn2CC)c2ccccc21 ZINC000901487012 1235867705 /nfs/dbraw/zinc/86/77/05/1235867705.db2.gz WMUHHNGMVIWFPO-OQLLNIDSSA-N 0 0 325.368 2.353 10 10 EECERN OC1CCN(c2ccc(CNCc3cn(C4CCC4)nn3)cc2)CC1 ZINC000850406590 1277216557 /nfs/dbraw/zinc/21/65/57/1277216557.db2.gz MPOPLUZCOGUXCV-UHFFFAOYSA-N 0 0 341.459 2.254 10 10 EECERN C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)cc(F)c1[O-] ZINC000850548183 1277262697 /nfs/dbraw/zinc/26/26/97/1277262697.db2.gz YSSRSDLKVNGSIB-APPZFPTMSA-N 0 0 331.185 2.223 10 10 EECERN CCN(c1ccc(OC)cc1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000851829668 1291867180 /nfs/dbraw/zinc/86/71/80/1291867180.db2.gz ZOHVINVSTWTQSI-MRXNPFEDSA-N 0 0 348.443 2.464 10 10 EECERN CN(c1ccc(CNC(=O)N[C@H]2CCNC2=O)cc1)C1CCCCC1 ZINC000852021212 1291958725 /nfs/dbraw/zinc/95/87/25/1291958725.db2.gz XXCDEOPAFWFILJ-KRWDZBQOSA-N 0 0 344.459 2.143 10 10 EECERN CCOC(=O)CN(CCO[C@@H]1CC1(F)F)Cc1ccccc1O ZINC000852193234 1292035111 /nfs/dbraw/zinc/03/51/11/1292035111.db2.gz ZNQOKTCGXITLAR-CQSZACIVSA-N 0 0 329.343 2.182 10 10 EECERN COc1ccc(N2CCN(CN3CC[C@H](C(C)C)C3=O)CC2)cc1F ZINC000853501913 1292404537 /nfs/dbraw/zinc/40/45/37/1292404537.db2.gz MXRAJMPRNWMORX-MRXNPFEDSA-N 0 0 349.450 2.418 10 10 EECERN COC(=O)Cc1ccnc(N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC000853712838 1292440155 /nfs/dbraw/zinc/44/01/55/1292440155.db2.gz QVCIAOVFTLQSJZ-UHFFFAOYSA-N 0 0 343.427 2.378 10 10 EECERN Cc1cc(CC(=O)NCC(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000854274672 1292700711 /nfs/dbraw/zinc/70/07/11/1292700711.db2.gz XBBYXWAZEHVNJB-UHFFFAOYSA-N 0 0 327.428 2.277 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](CCCO)C3)C2)cc1 ZINC000854298234 1292710127 /nfs/dbraw/zinc/71/01/27/1292710127.db2.gz YOWAEEUKHDDNJP-HZPDHXFCSA-N 0 0 347.459 2.078 10 10 EECERN CC[C@@H](O)CCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300523 1292711018 /nfs/dbraw/zinc/71/10/18/1292711018.db2.gz VCXNUVIVADKKPN-GOEBONIOSA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)OC[C@@H]3C)C2)cc1 ZINC000854300228 1292711049 /nfs/dbraw/zinc/71/10/49/1292711049.db2.gz XEAGHBGBNBEMRL-KKUMJFAQSA-N 0 0 333.432 2.093 10 10 EECERN CCN(C(=O)Cc1cc(C)n(-c2ccccc2)c1C)[C@H]1CCNC1=O ZINC000854338036 1292733952 /nfs/dbraw/zinc/73/39/52/1292733952.db2.gz MEYHFZRBNGAKRM-SFHVURJKSA-N 0 0 339.439 2.374 10 10 EECERN CC(=O)N[C@@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000854962522 1293003541 /nfs/dbraw/zinc/00/35/41/1293003541.db2.gz LROZOUPHSRCHEQ-GOSISDBHSA-N 0 0 339.439 2.374 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)CC2CCN(OC)CC2)cc1 ZINC000855019899 1293034965 /nfs/dbraw/zinc/03/49/65/1293034965.db2.gz BHSGUYROMMLCRV-UHFFFAOYSA-N 0 0 349.475 2.253 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cn(C)nc3C3CC3)C2)cc1 ZINC000855227027 1293119645 /nfs/dbraw/zinc/11/96/45/1293119645.db2.gz SRXLFZBKARNISX-CQSZACIVSA-N 0 0 340.427 2.315 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(O)c3O)C2)cc1 ZINC000855228096 1293119971 /nfs/dbraw/zinc/11/99/71/1293119971.db2.gz VDQOTFPJMVYBGP-LBPRGKRZSA-N 0 0 328.368 2.115 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cccnc3N(C)C)C2)cc1 ZINC000855231763 1293121767 /nfs/dbraw/zinc/12/17/67/1293121767.db2.gz YBJHTJRHGUBKMT-CQSZACIVSA-N 0 0 340.427 2.165 10 10 EECERN Cc1ccc(C(=O)N[C@H](c2ccncc2)C2(CO)CCC2)c(O)c1O ZINC000856456800 1293533731 /nfs/dbraw/zinc/53/37/31/1293533731.db2.gz UMYLZMDXRBTSOY-QGZVFWFLSA-N 0 0 342.395 2.435 10 10 EECERN O=C(N[C@H](c1ccncc1)C1(CO)CCC1)c1cccc(O)c1O ZINC000856456473 1293534257 /nfs/dbraw/zinc/53/42/57/1293534257.db2.gz YDRMISDBXKFQAW-MRXNPFEDSA-N 0 0 328.368 2.127 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC000857943265 1293961978 /nfs/dbraw/zinc/96/19/78/1293961978.db2.gz DIKCEXGQYYVZQW-NEPJUHHUSA-N 0 0 329.400 2.238 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCc2c3c(nn2C)CCCC3)c1 ZINC000858479135 1294129221 /nfs/dbraw/zinc/12/92/21/1294129221.db2.gz JFGHWQGMXRNBBW-UHFFFAOYSA-N 0 0 328.416 2.312 10 10 EECERN CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000858509704 1294138871 /nfs/dbraw/zinc/13/88/71/1294138871.db2.gz RVZSLTMQLIZWRS-BXUZGUMPSA-N 0 0 333.384 2.481 10 10 EECERN COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000858541391 1294148853 /nfs/dbraw/zinc/14/88/53/1294148853.db2.gz JIACTXRLBHOGDC-CYBMUJFWSA-N 0 0 344.411 2.265 10 10 EECERN COc1ccc(N2CCCN(Cc3cncc(OC)n3)CC2)cc1 ZINC000859086029 1294313671 /nfs/dbraw/zinc/31/36/71/1294313671.db2.gz GGMYOYNCTMAKHZ-UHFFFAOYSA-N 0 0 328.416 2.206 10 10 EECERN COc1cncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000859190085 1294344498 /nfs/dbraw/zinc/34/44/98/1294344498.db2.gz FPLMRMUJOOHTOB-INIZCTEOSA-N 0 0 329.400 2.372 10 10 EECERN COc1cncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000859190087 1294345101 /nfs/dbraw/zinc/34/51/01/1294345101.db2.gz FPLMRMUJOOHTOB-MRXNPFEDSA-N 0 0 329.400 2.372 10 10 EECERN Cn1cc(CCNC(=O)NCc2c(O)cccc2F)c2cccnc21 ZINC001235288871 1305179845 /nfs/dbraw/zinc/17/98/45/1305179845.db2.gz GHRQRWQGDRGQQD-UHFFFAOYSA-N 0 0 342.374 2.460 10 10 EECERN C[C@H]1[C@@H](NC(=O)C2=CC(=O)CS2)CC(=O)N1Cc1ccccc1 ZINC000799200042 1305185499 /nfs/dbraw/zinc/18/54/99/1305185499.db2.gz WVVJDGDFYNDDRA-FZMZJTMJSA-N 0 0 330.409 2.373 10 10 EECERN COc1ccccc1OC[C@H](C)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001137633173 1314463533 /nfs/dbraw/zinc/46/35/33/1314463533.db2.gz LNBRMQPTQGQZTJ-CYBMUJFWSA-N 0 0 345.395 2.480 10 10 EECERN CN(C)c1ccc(CN(CC(F)F)C2CCS(=O)(=O)CC2)cc1 ZINC000839586741 1315217965 /nfs/dbraw/zinc/21/79/65/1315217965.db2.gz XRORLEFRJPXMEI-UHFFFAOYSA-N 0 0 346.443 2.397 10 10 EECERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CC(=O)N2 ZINC001141780933 1315303618 /nfs/dbraw/zinc/30/36/18/1315303618.db2.gz DVAPPGWXNCZXRX-JTQLQIEISA-N 0 0 326.352 2.012 10 10 EECERN CC[C@H](C)C[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)OC ZINC000843415323 1315910926 /nfs/dbraw/zinc/91/09/26/1315910926.db2.gz JLNMSDYEJYGCKW-CMPLNLGQSA-N 0 0 340.376 2.376 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cn3ccnn3)o2)c1 ZINC001150542521 1316295006 /nfs/dbraw/zinc/29/50/06/1316295006.db2.gz BGYADPNKLKTACE-LLVKDONJSA-N 0 0 342.355 2.125 10 10 EECERN C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001299721200 1321987480 /nfs/dbraw/zinc/98/74/80/1321987480.db2.gz DXLVGCYXDVRIDS-ZDUSSCGKSA-N 0 0 349.390 2.375 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)NCC(C)(C)[C@@H](C)O)C2)cc1 ZINC001263730648 1322509191 /nfs/dbraw/zinc/50/91/91/1322509191.db2.gz FUWCOAFXPOZCEQ-HUUCEWRRSA-N 0 0 349.475 2.228 10 10 EECERN CC(=O)c1nc(NC(=O)NCCc2ccc(O)c(O)c2)sc1C ZINC001205441665 1323135864 /nfs/dbraw/zinc/13/58/64/1323135864.db2.gz KULJOYVTQRUQJS-UHFFFAOYSA-N 0 0 335.385 2.430 10 10 EECERN C/C(=C/C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001292544642 1328433681 /nfs/dbraw/zinc/43/36/81/1328433681.db2.gz QECMDPMJLOVIFD-UQKXYVMDSA-N 0 0 343.387 2.051 10 10 EECERN C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001299984644 1330169769 /nfs/dbraw/zinc/16/97/69/1330169769.db2.gz JGJLEAWCGAFSMX-YWVKMMECSA-N 0 0 348.424 2.427 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)c(O)c1 ZINC001301350027 1331297353 /nfs/dbraw/zinc/29/73/53/1331297353.db2.gz KFFCWUPBBSXESW-UHFFFAOYSA-N 0 0 344.386 2.422 10 10 EECERN Cc1ccccc1[C@H](CC(=O)NCc1c(O)cccc1F)NC(N)=O ZINC001303879244 1331369220 /nfs/dbraw/zinc/36/92/20/1331369220.db2.gz VHTZBFXWIVZNNQ-HNNXBMFYSA-N 0 0 345.374 2.256 10 10 EECERN O=C(Cc1cc(C(F)(F)F)ccn1)NCc1c(O)cccc1O ZINC001304053789 1331375672 /nfs/dbraw/zinc/37/56/72/1331375672.db2.gz SEFADGXITZCXTM-UHFFFAOYSA-N 0 0 326.274 2.371 10 10 EECERN CCOc1ccc(N2CCN(C(=O)CCc3ccnn3C)CC2)cc1 ZINC001321361819 1333084345 /nfs/dbraw/zinc/08/43/45/1333084345.db2.gz YXOCKLAYRWFGQU-UHFFFAOYSA-N 0 0 342.443 2.100 10 10 EECERN COc1ccc(C[NH2+]C2(CNC(=O)C(=O)C(C)(C)C)CC2)cc1C ZINC001323410795 1333458842 /nfs/dbraw/zinc/45/88/42/1333458842.db2.gz CPBSGSLDYGVWGO-UHFFFAOYSA-N 0 0 332.444 2.357 10 10 EECERN C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001332338630 1335805541 /nfs/dbraw/zinc/80/55/41/1335805541.db2.gz GZWAZRNIFACETD-HOCLYGCPSA-N 0 0 349.450 2.120 10 10 EECERN NC(=O)C1CCN(c2ccc(CNC(=O)C3(CF)CCC3)cc2)CC1 ZINC001332707770 1335887559 /nfs/dbraw/zinc/88/75/59/1335887559.db2.gz MULKEUGXFGUTNZ-UHFFFAOYSA-N 0 0 347.434 2.144 10 10 EECERN COc1cccc(CO[C@@H](C)C(=O)NCc2cccc(O)c2O)c1 ZINC001348046665 1337533484 /nfs/dbraw/zinc/53/34/84/1337533484.db2.gz IJDGWQJOPMSPDE-LBPRGKRZSA-N 0 0 331.368 2.328 10 10 EECERN CC(C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1)=C1CCC1 ZINC001348933656 1337587308 /nfs/dbraw/zinc/58/73/08/1337587308.db2.gz YMCILTJFRIXVAF-UHFFFAOYSA-N 0 0 343.387 2.195 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cccn(C)c1=O ZINC001351674097 1337837179 /nfs/dbraw/zinc/83/71/79/1337837179.db2.gz PVINTVOXMVDNFF-UHFFFAOYSA-N 0 0 325.412 2.258 10 10 EECERN CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000848559260 1338721730 /nfs/dbraw/zinc/72/17/30/1338721730.db2.gz RFRQFSDLOIJDOW-ISVAXAHUSA-N 0 0 336.201 2.342 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCOCC2CCOCC2)cc1 ZINC001618330464 1352349384 /nfs/dbraw/zinc/34/93/84/1352349384.db2.gz QITLRWUOMVZARD-UHFFFAOYSA-N 0 0 348.403 2.412 10 10 EECERN C[C@@H](NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)c1ccccc1O ZINC001557966427 1342461147 /nfs/dbraw/zinc/46/11/47/1342461147.db2.gz ALGNUNFPMKAMNW-LLVKDONJSA-N 0 0 348.362 2.372 10 10 EECERN Cc1noc(-c2ccc(C(=O)NCc3c(O)cccc3O)cc2)n1 ZINC001558534187 1342480274 /nfs/dbraw/zinc/48/02/74/1342480274.db2.gz PHSNEGXHMREUOP-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(NCc1ccc(Br)cn1)c1c(F)ccc(O)c1O ZINC001559026096 1342496026 /nfs/dbraw/zinc/49/60/26/1342496026.db2.gz VBUZPAIUTROICF-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN C/C=C(\C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001577909987 1344212808 /nfs/dbraw/zinc/21/28/08/1344212808.db2.gz LQEABYCHIRTGOQ-KQHYYFFMSA-N 0 0 343.387 2.146 10 10 EECERN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1nc(C(F)(F)F)no1 ZINC001676875426 1357228960 /nfs/dbraw/zinc/22/89/60/1357228960.db2.gz YXVFPNONOKDFGN-ZCFIWIBFSA-N 0 0 348.256 2.494 10 10 EECERN Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1cccc(O)c1O ZINC001593739114 1349872310 /nfs/dbraw/zinc/87/23/10/1349872310.db2.gz FTXBEHLDKPTTAN-UHFFFAOYSA-N 0 0 347.321 2.351 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001595061014 1349881349 /nfs/dbraw/zinc/88/13/49/1349881349.db2.gz GFMGHPSSCXJIDF-MFKMUULPSA-N 0 0 333.306 2.257 10 10 EECERN COc1cccc(CNC(=O)CN(C(C)=O)c2ccccc2)c1O ZINC001595799610 1349895671 /nfs/dbraw/zinc/89/56/71/1349895671.db2.gz BBAZKQRIULSUDG-UHFFFAOYSA-N 0 0 328.368 2.070 10 10 EECERN COc1ccccc1[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001597365079 1349923241 /nfs/dbraw/zinc/92/32/41/1349923241.db2.gz SMUPGOONXMYQNM-CQSZACIVSA-N 0 0 342.355 2.321 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)/C=C\c2ccc(C(N)=O)o2)cc1 ZINC001623386286 1352396225 /nfs/dbraw/zinc/39/62/25/1352396225.db2.gz CGYKGPCZQRAODY-LUAWRHEFSA-N 0 0 327.384 2.116 10 10 EECERN CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001624338878 1352418931 /nfs/dbraw/zinc/41/89/31/1352418931.db2.gz VSZKQLBIYQUBBN-UHFFFAOYSA-N 0 0 339.355 2.220 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2n(n1)CCC[C@@H]2O ZINC001631438424 1352583781 /nfs/dbraw/zinc/58/37/81/1352583781.db2.gz FFZQDSNPLCAXOS-SFHVURJKSA-N 0 0 341.411 2.225 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](OC)C(F)(F)F ZINC001636058591 1352657399 /nfs/dbraw/zinc/65/73/99/1352657399.db2.gz JANIVCXUJJRGCC-NSHDSACASA-N 0 0 326.311 2.462 10 10 EECERN C[C@H](C[S@@](C)=O)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001633541574 1352612209 /nfs/dbraw/zinc/61/22/09/1352612209.db2.gz WJMUBXLDCNSLGB-QKFKETGDSA-N 0 0 337.489 2.195 10 10 EECERN Cc1oc(C(=O)NCc2cccc(Br)c2O)cc1CO ZINC001635839403 1352653857 /nfs/dbraw/zinc/65/38/57/1352653857.db2.gz CFBPMEZHJLPYRC-UHFFFAOYSA-N 0 0 340.173 2.478 10 10 EECERN O=C(/C=C\Cn1cncn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638272881 1352686602 /nfs/dbraw/zinc/68/66/02/1352686602.db2.gz GXYOOEDAVVZNML-YVMONPNESA-N 0 0 345.366 2.183 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc(OCC(F)(F)F)cn1 ZINC001638352831 1352687753 /nfs/dbraw/zinc/68/77/53/1352687753.db2.gz WCTBBEKYXKXHSY-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)c2ccc(F)cc2)cc1 ZINC001641358819 1352720920 /nfs/dbraw/zinc/72/09/20/1352720920.db2.gz HKOSAWZDGVSKQV-CQSZACIVSA-N 0 0 330.319 2.452 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC001641629497 1352723354 /nfs/dbraw/zinc/72/33/54/1352723354.db2.gz LOFYPNYZHRMTOB-AWEZNQCLSA-N 0 0 344.386 2.422 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1csc(N2CCCCC2)n1 ZINC001644753525 1352767842 /nfs/dbraw/zinc/76/78/42/1352767842.db2.gz BRLKEPMQDZSJRT-UHFFFAOYSA-N 0 0 333.413 2.475 10 10 EECERN O=C(NCc1cccc(Cl)c1O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001648609483 1353436020 /nfs/dbraw/zinc/43/60/20/1353436020.db2.gz ZOYJWZQLIDWCBR-AWEZNQCLSA-N 0 0 336.731 2.304 10 10 EECERN C[S@@](=O)Cc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001651006316 1354036706 /nfs/dbraw/zinc/03/67/06/1354036706.db2.gz WYJFNGPMTXHWNR-HSZRJFAPSA-N 0 0 337.372 2.045 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ncsc1Br ZINC001651225557 1354044890 /nfs/dbraw/zinc/04/48/90/1354044890.db2.gz OKEZSFCWYKEMPR-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2c(O)cccc2O)c1C ZINC001652625719 1354097234 /nfs/dbraw/zinc/09/72/34/1354097234.db2.gz JUZMEVTXXGAMPJ-UHFFFAOYSA-N 0 0 349.408 2.048 10 10 EECERN O=C(CCc1nc(-c2ccsc2)no1)NCc1c(O)cccc1O ZINC001652623135 1354097277 /nfs/dbraw/zinc/09/72/77/1354097277.db2.gz ONFWORLCNGUPMW-UHFFFAOYSA-N 0 0 345.380 2.458 10 10 EECERN O=C(NCc1ccccc1Cn1cncn1)N1Cc2cccc(O)c2C1 ZINC001681827301 1358079911 /nfs/dbraw/zinc/07/99/11/1358079911.db2.gz FITLGGTZKSYYOZ-UHFFFAOYSA-N 0 0 349.394 2.257 10 10 EECERN C/C=C(\C)C(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001688153519 1358815038 /nfs/dbraw/zinc/81/50/38/1358815038.db2.gz VRBSSZOPJBAXPU-ZNQSMABOSA-N 0 0 331.376 2.050 10 10 EECERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406980 759586495 /nfs/dbraw/zinc/58/64/95/759586495.db2.gz BZPPOBKVELSPPT-JYKYSHPRSA-N 0 0 329.400 2.209 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1=CS(=O)(=O)CCC1 ZINC001135800819 784467061 /nfs/dbraw/zinc/46/70/61/784467061.db2.gz RDNMZXZRBVCLEA-UHFFFAOYSA-N 0 0 348.468 2.338 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(C(C)(C)C)C1=O ZINC000907272699 784489969 /nfs/dbraw/zinc/48/99/69/784489969.db2.gz HUNQQENJNWNYGF-GXTWGEPZSA-N 0 0 348.443 2.182 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cc2c(cc1F)CCC(=O)N2 ZINC001135889494 784713312 /nfs/dbraw/zinc/71/33/12/784713312.db2.gz KXXQZDQVXRCSBZ-UHFFFAOYSA-N 0 0 330.315 2.303 10 10 EECERN C/C=C/[C@H](O)C(=O)Nc1ccc(N2CCC(O)CC2)cc1OCCC ZINC000907762627 784847079 /nfs/dbraw/zinc/84/70/79/784847079.db2.gz DRRSBGJLEQQVLH-RCFWFJCLSA-N 0 0 348.443 2.312 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3oc(CO)cc3C)C2)cc1 ZINC000819591084 785600094 /nfs/dbraw/zinc/60/00/94/785600094.db2.gz OAUZEAVGPJYVQH-AWEZNQCLSA-N 0 0 344.411 2.345 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)C1CCOCC1 ZINC000819697011 785645649 /nfs/dbraw/zinc/64/56/49/785645649.db2.gz LNQRQZUORSZLDX-AWEZNQCLSA-N 0 0 349.427 2.347 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)n1cccn1 ZINC000819974882 785727625 /nfs/dbraw/zinc/72/76/25/785727625.db2.gz SSMOOAREPMXMIJ-UHFFFAOYSA-N 0 0 342.443 2.113 10 10 EECERN COC(=O)c1cncnc1NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819933989 785731405 /nfs/dbraw/zinc/73/14/05/785731405.db2.gz FSRQNYVGLBAONB-CYBMUJFWSA-N 0 0 342.399 2.210 10 10 EECERN Cc1cc(CC(=O)N2CCCN(C=O)CC2)c(C)n1-c1ccccc1 ZINC000823022612 787537186 /nfs/dbraw/zinc/53/71/86/787537186.db2.gz LOASXBBYPXAAQJ-UHFFFAOYSA-N 0 0 339.439 2.327 10 10 EECERN COC(OC)[C@H](C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000922913309 788318879 /nfs/dbraw/zinc/31/88/79/788318879.db2.gz SYLDZVQDTNOLAR-KGLIPLIRSA-N 0 0 337.464 2.299 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)c1cn(CC2CC2)nn1 ZINC000824982748 788387448 /nfs/dbraw/zinc/38/74/48/788387448.db2.gz KFJQSKUOXDKGRU-UHFFFAOYSA-N 0 0 325.416 2.218 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](C)CC3)C2)cc1 ZINC000923182092 789060939 /nfs/dbraw/zinc/06/09/39/789060939.db2.gz DAUDUNQEKRJPFL-GJZGRUSLSA-N 0 0 333.432 2.094 10 10 EECERN CON(C)CCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001144119382 789264421 /nfs/dbraw/zinc/26/44/21/789264421.db2.gz CRXBELFYALFZFU-UHFFFAOYSA-N 0 0 329.400 2.130 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCOC[C@@H]2C)cc1 ZINC000845153570 789611498 /nfs/dbraw/zinc/61/14/98/789611498.db2.gz RVLMYAALBUQMQJ-YOEHRIQHSA-N 0 0 335.448 2.198 10 10 EECERN C[C@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1)c1ccccc1O ZINC000913763554 794248100 /nfs/dbraw/zinc/24/81/00/794248100.db2.gz KHBKPTZOYDBQBM-KPZWWZAWSA-N 0 0 335.400 2.460 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)cc1F ZINC000817543979 800916041 /nfs/dbraw/zinc/91/60/41/800916041.db2.gz GDLMWDPIYUEJMK-ZDUSSCGKSA-N 0 0 346.406 2.020 10 10 EECERN O=C(c1ccco1)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000581789345 803099014 /nfs/dbraw/zinc/09/90/14/803099014.db2.gz ZGQKKVVONZHJRW-UHFFFAOYSA-N 0 0 328.368 2.151 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CC(F)(F)F)c1 ZINC000787253710 807055039 /nfs/dbraw/zinc/05/50/39/807055039.db2.gz PEABBUNWHVLTFT-VIFPVBQESA-N 0 0 343.305 2.218 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)c1cnc[nH]1 ZINC000788265551 807453377 /nfs/dbraw/zinc/45/33/77/807453377.db2.gz IKXOGSBPGHLSNQ-UHFFFAOYSA-N 0 0 342.443 2.183 10 10 EECERN CN(CCCCO)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000788313314 807488564 /nfs/dbraw/zinc/48/85/64/807488564.db2.gz KWKKHZNJYJTYKZ-UHFFFAOYSA-N 0 0 337.489 2.154 10 10 EECERN CCN1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000792196634 809649356 /nfs/dbraw/zinc/64/93/56/809649356.db2.gz PVEAYTKNHZLAKK-UHFFFAOYSA-N 0 0 332.404 2.207 10 10 EECERN CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000792793700 810000025 /nfs/dbraw/zinc/00/00/25/810000025.db2.gz TYDGKGSEQHNUML-MJGOQNOKSA-N 0 0 347.459 2.232 10 10 EECERN COCC[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805038208 811121071 /nfs/dbraw/zinc/12/10/71/811121071.db2.gz WKUQJLIBOPNOFP-VIFPVBQESA-N 0 0 331.210 2.379 10 10 EECERN C[C@H](OCC(=O)NCc1ccc(N2CCCC2)cc1)c1nccn1C ZINC000805165062 811167023 /nfs/dbraw/zinc/16/70/23/811167023.db2.gz VGKLHJBXZTXJKZ-HNNXBMFYSA-N 0 0 342.443 2.414 10 10 EECERN C[C@H](CO)CCCNC(=O)NCc1cc(Br)ccc1O ZINC000807032307 812067384 /nfs/dbraw/zinc/06/73/84/812067384.db2.gz YANSMQVKQGGIGH-JTQLQIEISA-N 0 0 345.237 2.363 10 10 EECERN CC(C)[C@@H](C)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807272536 812168326 /nfs/dbraw/zinc/16/83/26/812168326.db2.gz JQTBRBXEYVIHFX-HNNXBMFYSA-N 0 0 329.444 2.087 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000808516734 812686697 /nfs/dbraw/zinc/68/66/97/812686697.db2.gz KWCRJVKEKLKIJH-CQSZACIVSA-N 0 0 331.412 2.031 10 10 EECERN COc1ccc(C2(C(=O)OCC(=O)C(C)=O)CCCC2)cc1OC ZINC000808534144 812704506 /nfs/dbraw/zinc/70/45/06/812704506.db2.gz GWAUXBIGKKLUEV-UHFFFAOYSA-N 0 0 334.368 2.217 10 10 EECERN O=C(NCc1nnc(C2CC2)[nH]1)c1cc2cc(O)c(O)cc2s1 ZINC001450178945 1105263536 /nfs/dbraw/zinc/26/35/36/1105263536.db2.gz ILYAWKKPRXSGKU-UHFFFAOYSA-N 0 0 330.369 2.238 10 10 EECERN COC(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001456933193 1109372159 /nfs/dbraw/zinc/37/21/59/1109372159.db2.gz NJCLPWJPWACECR-AWEZNQCLSA-N 0 0 340.339 2.493 10 10 EECERN CO[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001464608592 1110398509 /nfs/dbraw/zinc/39/85/09/1110398509.db2.gz WEBDVRFDHKLCBH-RCCFBDPRSA-N 0 0 332.444 2.295 10 10 EECERN NC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC001465631040 1110421040 /nfs/dbraw/zinc/42/10/40/1110421040.db2.gz SNNQRWZGKOMYJL-CYBMUJFWSA-N 0 0 348.786 2.027 10 10 EECERN CCOC(=O)[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC001465981367 1110427651 /nfs/dbraw/zinc/42/76/51/1110427651.db2.gz LIOAQMQLNCDXDG-KRWDZBQOSA-N 0 0 343.379 2.103 10 10 EECERN CC1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@]1=O ZINC001468082103 1110468691 /nfs/dbraw/zinc/46/86/91/1110468691.db2.gz SDFFFVUYQGBHGR-HSZRJFAPSA-N 0 0 336.417 2.222 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1[nH]ncc1Br ZINC001472316863 1110551678 /nfs/dbraw/zinc/55/16/78/1110551678.db2.gz KAOJVERXNXFRBU-UHFFFAOYSA-N 0 0 330.569 2.461 10 10 EECERN CS(=O)(=O)c1ccc2ncnc(NCc3cc(O)ccc3O)c2c1 ZINC001472869598 1110564819 /nfs/dbraw/zinc/56/48/19/1110564819.db2.gz YUPJDAGCFBDOGO-UHFFFAOYSA-N 0 0 345.380 2.057 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@]2(C)CC(C)(C)OC2=O)c1 ZINC001520145609 1119131802 /nfs/dbraw/zinc/13/18/02/1119131802.db2.gz IDBUEEQQQBJWNT-BTDLBPIBSA-N 0 0 336.388 2.245 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(C)(C)S(C)(=O)=O ZINC001525106515 1120267842 /nfs/dbraw/zinc/26/78/42/1120267842.db2.gz ISJZXNYZKYRMNW-UHFFFAOYSA-N 0 0 338.473 2.068 10 10 EECERN C[C@H](CNC(=O)C1CC(C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001526490432 1120528539 /nfs/dbraw/zinc/52/85/39/1120528539.db2.gz LDEYVRUQZJVBDX-QWKFWESOSA-N 0 0 345.403 2.130 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC001545540819 1124194515 /nfs/dbraw/zinc/19/45/15/1124194515.db2.gz GKEJRTRALJKVMV-LBPRGKRZSA-N 0 0 347.802 2.084 10 10 EECERN COC(=O)NCCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001569069167 1125078248 /nfs/dbraw/zinc/07/82/48/1125078248.db2.gz TUFLLXAEZHYKSM-UHFFFAOYSA-N 0 0 329.400 2.488 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000529771600 317640701 /nfs/dbraw/zinc/64/07/01/317640701.db2.gz UJJOPUXJCPOOFJ-LSDHHAIUSA-N 0 0 334.441 2.425 10 10 EECERN C[C@@H](NC(=O)/C=C\c1ccc2c(c1)CCCN2C)c1nncn1C ZINC000096256268 463228400 /nfs/dbraw/zinc/22/84/00/463228400.db2.gz LGYVJYJLOQTANJ-FNOHHLHBSA-N 0 0 325.416 2.088 10 10 EECERN COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125799428 463580296 /nfs/dbraw/zinc/58/02/96/463580296.db2.gz ZXXBBCSOVFCYMQ-PWSUYJOCSA-N 0 0 334.199 2.461 10 10 EECERN C[C@@H]1COCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000277598603 463922175 /nfs/dbraw/zinc/92/21/75/463922175.db2.gz VLMDTPJUNSRORX-QAPCUYQASA-N 0 0 347.459 2.090 10 10 EECERN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCc2ccccc2O)C1 ZINC000289723055 464093040 /nfs/dbraw/zinc/09/30/40/464093040.db2.gz CGORVKCNVMXTCB-CQSZACIVSA-N 0 0 338.379 2.213 10 10 EECERN COc1cccc(N2CC[C@H](CNC(=O)Cc3ccc(N)cc3)C2)c1 ZINC000237467794 464324911 /nfs/dbraw/zinc/32/49/11/464324911.db2.gz FIXCDAPURDEZBV-MRXNPFEDSA-N 0 0 339.439 2.463 10 10 EECERN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294509070 464521797 /nfs/dbraw/zinc/52/17/97/464521797.db2.gz BYJSIHCMXJKIQV-YPMHNXCESA-N 0 0 347.814 2.031 10 10 EECERN CCOc1ccc(O)c(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1 ZINC000248805749 464804019 /nfs/dbraw/zinc/80/40/19/464804019.db2.gz BBRUAYAINLPEGY-GJZGRUSLSA-N 0 0 333.388 2.444 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176610380 464811183 /nfs/dbraw/zinc/81/11/83/464811183.db2.gz OCIGAIVIVMSGLI-AWEZNQCLSA-N 0 0 329.404 2.440 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCOC(C)(C)C ZINC000632051086 470198603 /nfs/dbraw/zinc/19/86/03/470198603.db2.gz BKHIPMWUEPWZRO-UHFFFAOYSA-N 0 0 342.461 2.096 10 10 EECERN Cc1ccc(C(=O)OCc2cnn(-c3ccccc3)n2)c(O)c1O ZINC000727004028 576385181 /nfs/dbraw/zinc/38/51/81/576385181.db2.gz KYCVXMHNVPFQIZ-UHFFFAOYSA-N 0 0 325.324 2.344 10 10 EECERN COc1ccc(O[C@@H](C)C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734016398 577272521 /nfs/dbraw/zinc/27/25/21/577272521.db2.gz OVDVKNJPASBKGL-LBPRGKRZSA-N 0 0 331.368 2.493 10 10 EECERN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2ccccc2O)C1 ZINC000773585034 577352787 /nfs/dbraw/zinc/35/27/87/577352787.db2.gz ZEVILHUOQXBXDU-JSGCOSHPSA-N 0 0 335.404 2.058 10 10 EECERN C[C@@H](NC(=O)N1CCO[C@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000773620835 577354935 /nfs/dbraw/zinc/35/49/35/577354935.db2.gz XDOLBCKFXPXCMN-RDTXWAMCSA-N 0 0 333.432 2.015 10 10 EECERN CCc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000773847660 577368567 /nfs/dbraw/zinc/36/85/67/577368567.db2.gz RXFHRBXCNZKSKP-LLVKDONJSA-N 0 0 330.388 2.119 10 10 EECERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773854528 577369204 /nfs/dbraw/zinc/36/92/04/577369204.db2.gz CGAQDPLHZZUOPD-NSHDSACASA-N 0 0 344.415 2.427 10 10 EECERN COc1c([O-])c(C[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000775028564 577426955 /nfs/dbraw/zinc/42/69/55/577426955.db2.gz DIQSGBXCRJGMBO-JTQLQIEISA-N 0 0 348.403 2.380 10 10 EECERN Cc1cc(Cl)cc(CN2CCN(Cc3nccn3C)CC2)c1O ZINC000775680878 577442636 /nfs/dbraw/zinc/44/26/36/577442636.db2.gz JZRXGYINDVYKQU-UHFFFAOYSA-N 0 0 334.851 2.405 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCC[C@H](C)[S@](C)=O)cc1 ZINC000765677601 577504946 /nfs/dbraw/zinc/50/49/46/577504946.db2.gz FFOGPQLGZFFCGJ-PSLXWICFSA-N 0 0 339.505 2.489 10 10 EECERN Oc1cc2c(cc1CN1CCO[C@H](c3cccs3)C1)[C@H](O)CO2 ZINC000768464746 577556437 /nfs/dbraw/zinc/55/64/37/577556437.db2.gz TVFAGVNYCCMCEN-ZBFHGGJFSA-N 0 0 333.409 2.453 10 10 EECERN COC[C@H]1NC(=O)N(CCc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000760972481 577673260 /nfs/dbraw/zinc/67/32/60/577673260.db2.gz URZPFHWMXWIQJC-QGZVFWFLSA-N 0 0 341.411 2.203 10 10 EECERN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cncnc1 ZINC000764624861 577740172 /nfs/dbraw/zinc/74/01/72/577740172.db2.gz JKLLMKZDGHXVOX-WMLDXEAASA-N 0 0 341.411 2.494 10 10 EECERN Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000754359790 577805076 /nfs/dbraw/zinc/80/50/76/577805076.db2.gz ZVGLKBDSLSDUMH-UHFFFAOYSA-N 0 0 340.427 2.202 10 10 EECERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000755250438 577822476 /nfs/dbraw/zinc/82/24/76/577822476.db2.gz XXVCDIUTYAQAPF-UHFFFAOYSA-N 0 0 340.427 2.044 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C/c2cnn(CC)c2)c2ccccc21 ZINC000755411831 577824875 /nfs/dbraw/zinc/82/48/75/577824875.db2.gz VMQCZEPLHQMCJE-OQLLNIDSSA-N 0 0 325.368 2.353 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)c1 ZINC000756378829 577842922 /nfs/dbraw/zinc/84/29/22/577842922.db2.gz HAJMCLRMPSDJJK-NSHDSACASA-N 0 0 331.416 2.422 10 10 EECERN C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756737303 577849546 /nfs/dbraw/zinc/84/95/46/577849546.db2.gz SLZIGOWNUPHOMY-BONVTDFDSA-N 0 0 340.370 2.101 10 10 EECERN C[C@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)cc(F)c1[O-] ZINC000757657974 577862059 /nfs/dbraw/zinc/86/20/59/577862059.db2.gz SUABAEPOSKPANE-ZETCQYMHSA-N 0 0 329.173 2.273 10 10 EECERN CC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000747374837 577943149 /nfs/dbraw/zinc/94/31/49/577943149.db2.gz KMYQYEDEKWFKAM-QGZVFWFLSA-N 0 0 349.500 2.411 10 10 EECERN Cc1nn(C)c(C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804735595 675609944 /nfs/dbraw/zinc/60/99/44/675609944.db2.gz ASUXGXPZWMBSKG-UHFFFAOYSA-N 0 0 338.205 2.435 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cnc2[nH]cnc2c1 ZINC000804736912 675610865 /nfs/dbraw/zinc/61/08/65/675610865.db2.gz DVBXOPWZXJVRGO-UHFFFAOYSA-N 0 0 347.172 2.356 10 10 EECERN O=C(NCc1cc(Br)ccc1O)C1(O)CCCCC1 ZINC000804738322 675611815 /nfs/dbraw/zinc/61/18/15/675611815.db2.gz LZNVZGPOXSYJJY-UHFFFAOYSA-N 0 0 328.206 2.466 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000176211651 677789497 /nfs/dbraw/zinc/78/94/97/677789497.db2.gz HRYGMIBNFDVVHI-RYUDHWBXSA-N 0 0 338.429 2.026 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)cc1F ZINC000801097028 684026549 /nfs/dbraw/zinc/02/65/49/684026549.db2.gz FHHHTMPHSHTXES-RYUDHWBXSA-N 0 0 328.334 2.384 10 10 EECERN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C1N=NC(=O)N1C ZINC000895175625 684216929 /nfs/dbraw/zinc/21/69/29/684216929.db2.gz OEWNFMIJTZMVRE-SECBINFHSA-N 0 0 343.353 2.456 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(C(=O)C2CC2)CC1 ZINC000895438143 684600378 /nfs/dbraw/zinc/60/03/78/684600378.db2.gz UGCSXPYQJXUPBR-UHFFFAOYSA-N 0 0 346.408 2.007 10 10 EECERN COCCN(CCOC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895584528 684650540 /nfs/dbraw/zinc/65/05/40/684650540.db2.gz RIJYBQRNWNECAT-UHFFFAOYSA-N 0 0 325.386 2.048 10 10 EECERN Cc1cc(O)c(CN2CCN(Cc3cnn(C)c3)CC2)c(Cl)c1 ZINC000840914125 684833920 /nfs/dbraw/zinc/83/39/20/684833920.db2.gz PCZWNWJYCRGTPC-UHFFFAOYSA-N 0 0 334.851 2.405 10 10 EECERN CC(C)N1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O ZINC000896375156 684958288 /nfs/dbraw/zinc/95/82/88/684958288.db2.gz FDVDWIDJKAHXCG-JTQLQIEISA-N 0 0 334.397 2.052 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1OC ZINC000897394752 688771308 /nfs/dbraw/zinc/77/13/08/688771308.db2.gz WHSPGAGLKTXFAM-BCQZVRRWSA-N 0 0 337.397 2.235 10 10 EECERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H](O)C(F)F ZINC000897884143 691811063 /nfs/dbraw/zinc/81/10/63/691811063.db2.gz DSQVGKNCSNWZBF-KRTXAFLBSA-N 0 0 331.340 2.447 10 10 EECERN O=C(N[C@H]1CCCN(CCF)C1)c1cc2cc(O)c(O)cc2s1 ZINC000898502435 693350619 /nfs/dbraw/zinc/35/06/19/693350619.db2.gz AQUPECDTUSRVTD-NSHDSACASA-N 0 0 338.404 2.476 10 10 EECERN COC(=O)C1=CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000899131191 693624020 /nfs/dbraw/zinc/62/40/20/693624020.db2.gz NYCNEVLJUKFKBX-JTQLQIEISA-N 0 0 333.365 2.304 10 10 EECERN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](O)C(F)(F)F ZINC000899167265 693639822 /nfs/dbraw/zinc/63/98/22/693639822.db2.gz DMIRTPPMOZFMRQ-ULHQUTTKSA-N 0 0 335.303 2.354 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2nnn(C)c2C(F)(F)F)cc1 ZINC000905448333 1189720858 /nfs/dbraw/zinc/72/08/58/1189720858.db2.gz NOGRAOGHEJGCTP-UHFFFAOYSA-N 0 0 341.337 2.172 10 10 EECERN COC(=O)c1cc(OCc2cn(C(C)(C)C)nn2)ccc1N(C)C ZINC000865395540 1198195090 /nfs/dbraw/zinc/19/50/90/1198195090.db2.gz VCVCASUWDFULTB-UHFFFAOYSA-N 0 0 332.404 2.465 10 10 EECERN Cc1ccc(CCC(=O)NCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871200890 1201096868 /nfs/dbraw/zinc/09/68/68/1201096868.db2.gz LXSMIEWKTCMLIA-UHFFFAOYSA-N 0 0 338.407 2.292 10 10 EECERN CCO[C@H]1COCC[C@@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000866209152 1201465723 /nfs/dbraw/zinc/46/57/23/1201465723.db2.gz YXPCHXONPKTRBJ-KDOFPFPSSA-N 0 0 348.443 2.310 10 10 EECERN Cn1cnc2cncc(C(=O)NCc3c(O)ccc4c3CCCC4)c21 ZINC000866771337 1201602606 /nfs/dbraw/zinc/60/26/06/1201602606.db2.gz QAMOUTUSCINYDM-UHFFFAOYSA-N 0 0 336.395 2.483 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](SC)C3)C2)cc1 ZINC000868762259 1201874303 /nfs/dbraw/zinc/87/43/03/1201874303.db2.gz MPZSDEDPAVVSDP-XEZPLFJOSA-N 0 0 335.473 2.467 10 10 EECERN C[C@H](NC(=O)NC[C@H](n1cncn1)C(F)(F)F)c1ccccc1O ZINC000868885936 1201898628 /nfs/dbraw/zinc/89/86/28/1201898628.db2.gz KTSJURZVHMMGSP-CABZTGNLSA-N 0 0 343.309 2.148 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ncccc3OC)C2)cc1 ZINC000869229193 1201969855 /nfs/dbraw/zinc/96/98/55/1201969855.db2.gz STMOBPJQXHSMSR-ZDUSSCGKSA-N 0 0 327.384 2.108 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)Cn3ccc(C)n3)C2)cc1 ZINC000869228879 1201969882 /nfs/dbraw/zinc/96/98/82/1201969882.db2.gz PJFXXZSIFAMIFM-ZBFHGGJFSA-N 0 0 342.443 2.231 10 10 EECERN CCN(CCC(N)=O)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000928824766 1206424652 /nfs/dbraw/zinc/42/46/52/1206424652.db2.gz VDTMBPAPCYSADW-UHFFFAOYSA-N 0 0 345.443 2.242 10 10 EECERN C[C@H](NC(=O)c1ccc(C=O)cn1)c1ccc(N2CCOCC2)cc1 ZINC000930743085 1206579245 /nfs/dbraw/zinc/57/92/45/1206579245.db2.gz CDWIFSSDCRYQAC-AWEZNQCLSA-N 0 0 339.395 2.222 10 10 EECERN COc1ccc(N2CCN(Cc3nn(C)cc3C)CC2)c(OC)c1 ZINC000931530564 1207406746 /nfs/dbraw/zinc/40/67/46/1207406746.db2.gz JGQZMRYKCCOHLK-UHFFFAOYSA-N 0 0 330.432 2.068 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188753060 1208811767 /nfs/dbraw/zinc/81/17/67/1208811767.db2.gz YXOTWYGBHUAKTK-HNNXBMFYSA-N 0 0 347.484 2.294 10 10 EECERN Cc1cc(C(=O)NCc2cc(C(N)=O)co2)c(C)n1-c1ccccn1 ZINC000190761593 1210000757 /nfs/dbraw/zinc/00/07/57/1210000757.db2.gz ILPZOAJCAFBVRL-UHFFFAOYSA-N 0 0 338.367 2.111 10 10 EECERN C[C@@H](NC(=O)NCC1(CCO)CC1)c1ccc(N2CCOCC2)cc1 ZINC000779538965 1210458131 /nfs/dbraw/zinc/45/81/31/1210458131.db2.gz OBGNJQYNNQUURH-OAHLLOKOSA-N 0 0 347.459 2.046 10 10 EECERN COc1ccccc1[C@@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000900026901 1233984928 /nfs/dbraw/zinc/98/49/28/1233984928.db2.gz ORJUTHSSYKLGEC-GOSISDBHSA-N 0 0 328.412 2.453 10 10 EECERN CCC/C=C\[C@@H](O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000900508423 1234428375 /nfs/dbraw/zinc/42/83/75/1234428375.db2.gz MZCNMJXSUQRKDU-OOFWQKGWSA-N 0 0 332.444 2.497 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1nnc(-c2cscn2)o1 ZINC000902635146 1238092589 /nfs/dbraw/zinc/09/25/89/1238092589.db2.gz CYQGYNDRSHIBLM-UHFFFAOYSA-N 0 0 343.412 2.498 10 10 EECERN C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000903280180 1240165954 /nfs/dbraw/zinc/16/59/54/1240165954.db2.gz TVLJZIJNXKIXBA-BMIGLBTASA-N 0 0 349.258 2.043 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccnc(OC(F)F)c1 ZINC000803669158 1241238860 /nfs/dbraw/zinc/23/88/60/1241238860.db2.gz IGKKUCOJQDGTNC-RQOWECAXSA-N 0 0 336.294 2.424 10 10 EECERN O=C(COC(=O)c1cnc(Cl)c(F)c1)c1ccc(O)c(O)c1 ZINC000803824226 1241959561 /nfs/dbraw/zinc/95/95/61/1241959561.db2.gz HVUGQJSDXDIDDA-UHFFFAOYSA-N 0 0 325.679 2.325 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000826846181 1248088994 /nfs/dbraw/zinc/08/89/94/1248088994.db2.gz QMXZPEOQUIGFIE-SNVBAGLBSA-N 0 0 337.767 2.067 10 10 EECERN CON1CCC(CC(=O)NCCCSc2nccs2)CC1 ZINC000827474536 1248161051 /nfs/dbraw/zinc/16/10/51/1248161051.db2.gz CEKMMNGHHGNBFL-UHFFFAOYSA-N 0 0 329.491 2.405 10 10 EECERN CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000827544627 1248407525 /nfs/dbraw/zinc/40/75/25/1248407525.db2.gz GYMSXFPHBXRVSX-JTQLQIEISA-N 0 0 329.803 2.372 10 10 EECERN COC[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCOCC1 ZINC000850350832 1277194344 /nfs/dbraw/zinc/19/43/44/1277194344.db2.gz ICZJFBOEGJBZDO-ZDUSSCGKSA-N 0 0 344.795 2.485 10 10 EECERN COCc1n[nH]c(CNCc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000850360638 1277196991 /nfs/dbraw/zinc/19/69/91/1277196991.db2.gz KWZNKDOXZPPOBF-UHFFFAOYSA-N 0 0 343.353 2.326 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCCOC(C)C)C2)cc1 ZINC000851922230 1291917226 /nfs/dbraw/zinc/91/72/26/1291917226.db2.gz FJCXVJQRDCCEDT-OAHLLOKOSA-N 0 0 335.448 2.388 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2COC[C@@H]2C1 ZINC000852138636 1292008287 /nfs/dbraw/zinc/00/82/87/1292008287.db2.gz QGLKWZBRJFEABH-IRXDYDNUSA-N 0 0 327.428 2.241 10 10 EECERN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000797605255 1292453551 /nfs/dbraw/zinc/45/35/51/1292453551.db2.gz OLBBWPTVKXMSGK-HNNXBMFYSA-N 0 0 341.249 2.421 10 10 EECERN O=C(NCCCSc1nccs1)N1CC[C@@H]2COC[C@H]2C1 ZINC000853858179 1292493047 /nfs/dbraw/zinc/49/30/47/1292493047.db2.gz LOKMBUKKLQPTHV-VXGBXAGGSA-N 0 0 327.475 2.303 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000853934263 1292538005 /nfs/dbraw/zinc/53/80/05/1292538005.db2.gz RNECSDVHUBLIDE-FJDWXNHUSA-N 0 0 332.356 2.254 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC34CCOCC4)C2)cc1 ZINC000854295768 1292707520 /nfs/dbraw/zinc/70/75/20/1292707520.db2.gz BTSJYFPVXAPJTO-OAHLLOKOSA-N 0 0 345.443 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCCOC(C)(C)C3)C2)cc1 ZINC000854300723 1292712433 /nfs/dbraw/zinc/71/24/33/1292712433.db2.gz YXTMJMYHXFLPOU-OAHLLOKOSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cn3cc(C4CC4)cn3)C2)cc1 ZINC000855224933 1293117725 /nfs/dbraw/zinc/11/77/25/1293117725.db2.gz IIHRDHLZZZTHFH-INIZCTEOSA-N 0 0 340.427 2.164 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cn(C4CCC4)nn3)C2)cc1 ZINC000855225820 1293118966 /nfs/dbraw/zinc/11/89/66/1293118966.db2.gz QNDOPEWQNSLCPF-CYBMUJFWSA-N 0 0 341.415 2.020 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccnn3C(C)C)C2)cc1 ZINC000855233124 1293121971 /nfs/dbraw/zinc/12/19/71/1293121971.db2.gz FDTRMBUQXLKGDO-AWEZNQCLSA-N 0 0 328.416 2.481 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCc4n[nH]cc43)C2)cc1 ZINC000855234020 1293122858 /nfs/dbraw/zinc/12/28/58/1293122858.db2.gz QTKXEFUXXKNWDY-BBRMVZONSA-N 0 0 340.427 2.233 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000856355712 1293495096 /nfs/dbraw/zinc/49/50/96/1293495096.db2.gz LKBLDORYBZKSNZ-CJHWANRJSA-N 0 0 331.290 2.291 10 10 EECERN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccnn2)cc1 ZINC000858927993 1294265570 /nfs/dbraw/zinc/26/55/70/1294265570.db2.gz PTDMMLIARAIVKV-QGZVFWFLSA-N 0 0 340.427 2.364 10 10 EECERN O=C(NCCCSc1nccs1)[C@@H]1CNC(=O)c2ccccc21 ZINC000859351057 1294404340 /nfs/dbraw/zinc/40/43/40/1294404340.db2.gz JRTXFUXHVDZTNG-CYBMUJFWSA-N 0 0 347.465 2.269 10 10 EECERN CCN(C)c1ccc(CNC(c2ccnn2C)c2ccnn2C)cc1 ZINC000860081332 1294794525 /nfs/dbraw/zinc/79/45/25/1294794525.db2.gz DRZYYOQDERDHQL-UHFFFAOYSA-N 0 0 338.459 2.489 10 10 EECERN CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc2cccnc2c1O ZINC000862024934 1295658739 /nfs/dbraw/zinc/65/87/39/1295658739.db2.gz FGSSJHCCFBAYJI-OAHLLOKOSA-N 0 0 329.400 2.107 10 10 EECERN C[C@H](OCC(=O)NCc1ccc2cccnc2c1O)c1nccn1C ZINC000862025755 1295660247 /nfs/dbraw/zinc/66/02/47/1295660247.db2.gz ABENEMJJIZFHCQ-LBPRGKRZSA-N 0 0 340.383 2.068 10 10 EECERN Cc1cc(C(=O)NC[C@@H]2COCCN2C)c(C)n1-c1ccc(F)cc1 ZINC000862972444 1296051553 /nfs/dbraw/zinc/05/15/53/1296051553.db2.gz ZVFAMFIGLWENKB-QGZVFWFLSA-N 0 0 345.418 2.294 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000797644629 1304795958 /nfs/dbraw/zinc/79/59/58/1304795958.db2.gz RECBTRONCGZHPU-SNVBAGLBSA-N 0 0 333.392 2.197 10 10 EECERN C[C@H](CC(=O)NCc1cccc(O)c1O)NC(=O)C1CCCCC1 ZINC001123887300 1310751924 /nfs/dbraw/zinc/75/19/24/1310751924.db2.gz AINPTQFQSNQIAY-GFCCVEGCSA-N 0 0 334.416 2.189 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1cc(F)c[nH]c1=O ZINC001139975118 1314791672 /nfs/dbraw/zinc/79/16/72/1314791672.db2.gz UZAFMLBPTXFROQ-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN COc1cc2c(c(OC)c1)N(Cc1nnnn1C(C)(C)C)CCC2 ZINC000839656630 1315226897 /nfs/dbraw/zinc/22/68/97/1315226897.db2.gz PEYYGHYDSLTOJI-UHFFFAOYSA-N 0 0 331.420 2.398 10 10 EECERN COC(C)(C)CS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841568893 1315579851 /nfs/dbraw/zinc/57/98/51/1315579851.db2.gz HYCATOCCLFPNCR-AWEZNQCLSA-N 0 0 342.505 2.336 10 10 EECERN COc1ccc(N2CC[C@H](COC(=O)c3cc(C)n(C)n3)C2)cc1 ZINC000842880080 1315790423 /nfs/dbraw/zinc/79/04/23/1315790423.db2.gz XTQNHXXCEDDLJV-AWEZNQCLSA-N 0 0 329.400 2.420 10 10 EECERN CCN(CC)c1ccc(CN[C@@H](C(=O)OC)c2ccnn2C)cc1F ZINC000843429870 1315913667 /nfs/dbraw/zinc/91/36/67/1315913667.db2.gz KNJLQOZVLRYVRA-QGZVFWFLSA-N 0 0 348.422 2.409 10 10 EECERN Nc1nc(C2CCCC2)ncc1C(=O)NCc1c(O)cccc1F ZINC001156170061 1317905295 /nfs/dbraw/zinc/90/52/95/1317905295.db2.gz DWHUZXVDBKEKAQ-UHFFFAOYSA-N 0 0 330.363 2.491 10 10 EECERN CN(CC(=O)NCc1c(O)cccc1O)c1nc2ccccc2s1 ZINC001156880908 1318257106 /nfs/dbraw/zinc/25/71/06/1318257106.db2.gz GZCGHUZWQAEVTE-UHFFFAOYSA-N 0 0 343.408 2.460 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC001256885779 1318886261 /nfs/dbraw/zinc/88/62/61/1318886261.db2.gz JTESTMBPUPWRCW-CYBMUJFWSA-N 0 0 339.386 2.063 10 10 EECERN CCCC(=O)N(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294148708 1328906055 /nfs/dbraw/zinc/90/60/55/1328906055.db2.gz FGOFVPVFEUPDCQ-UHFFFAOYSA-N 0 0 333.392 2.227 10 10 EECERN CN(C)c1cc(F)c(C(=O)NCc2ccc(O)cc2O)cc1[N+](=O)[O-] ZINC001162279121 1320803906 /nfs/dbraw/zinc/80/39/06/1320803906.db2.gz QYAZSMRCIYDWHU-UHFFFAOYSA-N 0 0 349.318 2.141 10 10 EECERN COC(=O)c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC001162392655 1320844092 /nfs/dbraw/zinc/84/40/92/1320844092.db2.gz JEVYGEHGHIEALK-CLTKARDFSA-N 0 0 333.365 2.276 10 10 EECERN COc1ccc(N2CC[C@@H](Nc3ccc(S(C)(=O)=O)cn3)C2)cc1 ZINC001261656801 1322148991 /nfs/dbraw/zinc/14/89/91/1322148991.db2.gz KVKQNVUOWOIZJB-CYBMUJFWSA-N 0 0 347.440 2.185 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](O)c1ccccn1 ZINC001290375262 1328188901 /nfs/dbraw/zinc/18/89/01/1328188901.db2.gz XOHURZPSKLUIIU-SFHVURJKSA-N 0 0 325.412 2.374 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)c2cccs2)cc1 ZINC001292463850 1328415905 /nfs/dbraw/zinc/41/59/05/1328415905.db2.gz NVOPMSOCLKDSTB-UHFFFAOYSA-N 0 0 345.384 2.070 10 10 EECERN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001295396891 1329808417 /nfs/dbraw/zinc/80/84/17/1329808417.db2.gz DZDYGRROVLMJOK-MEDUHNTESA-N 0 0 333.359 2.408 10 10 EECERN CC[C@H](C)C(=O)NCC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001297164546 1329947775 /nfs/dbraw/zinc/94/77/75/1329947775.db2.gz GPXOVWXKSZUNLH-NSHDSACASA-N 0 0 345.403 2.083 10 10 EECERN Cn1cnc(/C=C/C(=O)NCc2cccc(Br)c2O)c1 ZINC001297439834 1329972198 /nfs/dbraw/zinc/97/21/98/1329972198.db2.gz KBMHGSGCMBLEMJ-AATRIKPKSA-N 0 0 336.189 2.218 10 10 EECERN C[C@@H](CNC(=O)CC1CC1)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001297712297 1329997268 /nfs/dbraw/zinc/99/72/68/1329997268.db2.gz XKOBRRUXVNXBIU-NSHDSACASA-N 0 0 345.403 2.131 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC001325738814 1333950573 /nfs/dbraw/zinc/95/05/73/1333950573.db2.gz PJURXQCZQBBWGM-XJKSGUPXSA-N 0 0 347.459 2.004 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@](C)(CO)C3)C2)cc1 ZINC001327761619 1334343282 /nfs/dbraw/zinc/34/32/82/1334343282.db2.gz NWXIVYQGZHJCOT-HNAYVOBHSA-N 0 0 347.459 2.078 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@H](C[C@H]2CCOC2)C(=O)[O-])cc1F ZINC001329682585 1334696023 /nfs/dbraw/zinc/69/60/23/1334696023.db2.gz QYJMXOSYQZEDAA-QMTHXVAHSA-N 0 0 328.359 2.000 10 10 EECERN CO[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@](C)(CO)C1 ZINC001330019139 1334761787 /nfs/dbraw/zinc/76/17/87/1334761787.db2.gz RMVIDMWCCWCPPB-BEFAXECRSA-N 0 0 343.427 2.101 10 10 EECERN CO[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@](C)(CO)C1 ZINC001330019142 1334761980 /nfs/dbraw/zinc/76/19/80/1334761980.db2.gz RMVIDMWCCWCPPB-DNVCBOLYSA-N 0 0 343.427 2.101 10 10 EECERN COc1cc(N(C)CCOC2CCOCC2)cc(OC)c1OC ZINC001331556441 1335035926 /nfs/dbraw/zinc/03/59/26/1335035926.db2.gz VXJAGFNQFUTJRC-UHFFFAOYSA-N 0 0 325.405 2.344 10 10 EECERN CSC1CCC(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001333184530 1335978503 /nfs/dbraw/zinc/97/85/03/1335978503.db2.gz XZDNSAGEVGHXMH-UHFFFAOYSA-N 0 0 348.468 2.272 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC001334120918 1336208129 /nfs/dbraw/zinc/20/81/29/1336208129.db2.gz HXJMCNPYWUYEKJ-MEDUHNTESA-N 0 0 339.386 2.091 10 10 EECERN CCOCc1cc(C[NH2+][C@H]2CCO[C@](C)(C(=O)[O-])C2)ccc1OC ZINC001353963136 1338379567 /nfs/dbraw/zinc/37/95/67/1338379567.db2.gz LLXHDDHMQPEAKV-YJBOKZPZSA-N 0 0 337.416 2.344 10 10 EECERN CC1(C)CN(CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000848067921 1338481430 /nfs/dbraw/zinc/48/14/30/1338481430.db2.gz CXUQJRLOMFPNLR-UHFFFAOYSA-N 0 0 327.222 2.113 10 10 EECERN Cc1nn(-c2cccnc2)nc1C(=O)NCc1cc(Cl)ccc1O ZINC001557386965 1342448007 /nfs/dbraw/zinc/44/80/07/1342448007.db2.gz ORLVAWQLBISBEG-UHFFFAOYSA-N 0 0 343.774 2.260 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCN(Cc3ccno3)CC2)c1O ZINC001560101134 1342507363 /nfs/dbraw/zinc/50/73/63/1342507363.db2.gz CUBYWCSBKNKIBR-UHFFFAOYSA-N 0 0 333.363 2.040 10 10 EECERN O=C(NCc1ccccc1O)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001565223212 1342553660 /nfs/dbraw/zinc/55/36/60/1342553660.db2.gz ZFLBXQJEBFHVGY-ZDUSSCGKSA-N 0 0 326.352 2.225 10 10 EECERN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001570503533 1343076006 /nfs/dbraw/zinc/07/60/06/1343076006.db2.gz RKGGPGLCKJMEFS-UHFFFAOYSA-N 0 0 344.367 2.165 10 10 EECERN CCCC(=O)N(C)C1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001572549504 1343514730 /nfs/dbraw/zinc/51/47/30/1343514730.db2.gz XEBMVHUBLSRXJO-UHFFFAOYSA-N 0 0 345.403 2.368 10 10 EECERN CCOc1ccc(C(=O)NCc2c(O)cccc2O)cc1[N+](=O)[O-] ZINC001597569314 1349928337 /nfs/dbraw/zinc/92/83/37/1349928337.db2.gz NXGUKEJIRINUSD-UHFFFAOYSA-N 0 0 332.312 2.335 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1c(F)cccc1-n1cccn1 ZINC001626838180 1352475071 /nfs/dbraw/zinc/47/50/71/1352475071.db2.gz PUKIIDPAQHOZRP-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1noc(-c2ccc(F)cc2)n1 ZINC001630335879 1352568254 /nfs/dbraw/zinc/56/82/54/1352568254.db2.gz WTQUPNPMHNADIL-UHFFFAOYSA-N 0 0 343.314 2.259 10 10 EECERN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001633122289 1352605770 /nfs/dbraw/zinc/60/57/70/1352605770.db2.gz XHZNAFJPRUCGIW-CQSZACIVSA-N 0 0 344.415 2.219 10 10 EECERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCc1ccc(O)cc1O ZINC001638352736 1352687668 /nfs/dbraw/zinc/68/76/68/1352687668.db2.gz WAKFTPMWEOOFCM-UHFFFAOYSA-N 0 0 349.770 2.381 10 10 EECERN COc1ccc(CN(CCO)C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001643528593 1352750335 /nfs/dbraw/zinc/75/03/35/1352750335.db2.gz SMNGVUAFBMENLK-UITAMQMPSA-N 0 0 343.379 2.141 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1scnc1Br ZINC001651225500 1354045139 /nfs/dbraw/zinc/04/51/39/1354045139.db2.gz MFYJWOBRLWBKTB-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001652359502 1354089194 /nfs/dbraw/zinc/08/91/94/1354089194.db2.gz LXKGIVXBWVMOGK-CYBMUJFWSA-N 0 0 345.403 2.368 10 10 EECERN CC(=O)Nc1ccc(CNC(=O)NCc2cccc(Cl)c2O)cn1 ZINC001680666563 1357894361 /nfs/dbraw/zinc/89/43/61/1357894361.db2.gz UEISPPWSGQJLMC-UHFFFAOYSA-N 0 0 348.790 2.398 10 10 EECERN COc1cc(CC(=O)NCc2ccc3c(c2)CCCN3C)ccn1 ZINC000816910281 784354953 /nfs/dbraw/zinc/35/49/53/784354953.db2.gz AYNFYISZCVGIEY-UHFFFAOYSA-N 0 0 325.412 2.332 10 10 EECERN COc1cccc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c1O ZINC000907060125 784359185 /nfs/dbraw/zinc/35/91/85/784359185.db2.gz KTEONOWRZNKFQL-SECBINFHSA-N 0 0 342.606 2.138 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)/C=C/c3ccncn3)C2)cc1 ZINC000819587381 785595857 /nfs/dbraw/zinc/59/58/57/785595857.db2.gz YOJOMBOCFSCBNV-MCFICARUSA-N 0 0 338.411 2.141 10 10 EECERN O=C(Cc1cncnc1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000820006370 785739265 /nfs/dbraw/zinc/73/92/65/785739265.db2.gz VCVZQKGEUQWFOV-UHFFFAOYSA-N 0 0 330.351 2.368 10 10 EECERN Cn1c2ccccc2n(CC(=O)NCc2cc(Cl)ccc2O)c1=O ZINC001146233540 791143429 /nfs/dbraw/zinc/14/34/29/791143429.db2.gz VMVWNGXZGFWLNM-UHFFFAOYSA-N 0 0 345.786 2.015 10 10 EECERN CN(C)c1ccc(CN(C(=O)c2cnc3n2CCOC3)C2CC2)cc1 ZINC000821033385 786567007 /nfs/dbraw/zinc/56/70/07/786567007.db2.gz RWGCJTPLVVMXMB-UHFFFAOYSA-N 0 0 340.427 2.284 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000821061392 786582095 /nfs/dbraw/zinc/58/20/95/786582095.db2.gz WOQXREXYKYWRFI-CHWSQXEVSA-N 0 0 335.400 2.124 10 10 EECERN CO[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000822688864 787341088 /nfs/dbraw/zinc/34/10/88/787341088.db2.gz VYVWVKJUYAOHCJ-HUUCEWRRSA-N 0 0 336.407 2.094 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCOC[C@H]3C)C2)cc1 ZINC000823509454 787795675 /nfs/dbraw/zinc/79/56/75/787795675.db2.gz NUVNWOUSNUFLHV-RKVPGOIHSA-N 0 0 347.459 2.246 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@H](O)C3(C)C)C2)cc1 ZINC000823732887 787889426 /nfs/dbraw/zinc/88/94/26/787889426.db2.gz IZALZARJGFGYKX-YOEHRIQHSA-N 0 0 347.459 2.076 10 10 EECERN CC1(C)CN(Cc2ccc(Br)cc2O)CCS1(=O)=O ZINC000824883924 788351790 /nfs/dbraw/zinc/35/17/90/788351790.db2.gz QEOLPUSKPXEPCQ-UHFFFAOYSA-N 0 0 348.262 2.164 10 10 EECERN Cn1nnc2c1C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000922992668 788511359 /nfs/dbraw/zinc/51/13/59/788511359.db2.gz FFHYIHVFUKVUQN-JTQLQIEISA-N 0 0 327.215 2.475 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC=CC23CCCC3)c1 ZINC000913202737 788690560 /nfs/dbraw/zinc/69/05/60/788690560.db2.gz UAHDQTOYYMKUQB-UHFFFAOYSA-N 0 0 336.413 2.089 10 10 EECERN O=S(=O)(CCC[C@@H]1CCOC1)NCc1cc(Cl)ccc1O ZINC000845997271 790029330 /nfs/dbraw/zinc/02/93/30/790029330.db2.gz ZTDYWEFVODJAIY-LLVKDONJSA-N 0 0 333.837 2.282 10 10 EECERN O=C(NCc1c(O)cccc1F)NC1CCN(CC(F)(F)F)CC1 ZINC000915125151 795671613 /nfs/dbraw/zinc/67/16/13/795671613.db2.gz GXQFPFSKZIZOQS-UHFFFAOYSA-N 0 0 349.328 2.357 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC001176748368 798547466 /nfs/dbraw/zinc/54/74/66/798547466.db2.gz QJNRMVPRCKJSKO-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN Cn1nnc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)ccc21 ZINC000103790773 799622548 /nfs/dbraw/zinc/62/25/48/799622548.db2.gz KDXHQCWIMITRTL-UHFFFAOYSA-N 0 0 337.383 2.057 10 10 EECERN CCN(CC)c1ccc(CN[C@H](C(=O)OC)c2ccn(C)n2)cc1 ZINC000787438042 807119656 /nfs/dbraw/zinc/11/96/56/807119656.db2.gz GKGSOUDAONQBMB-KRWDZBQOSA-N 0 0 330.432 2.270 10 10 EECERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000804370672 810820618 /nfs/dbraw/zinc/82/06/18/810820618.db2.gz SVBQPTDXFAHZDY-LESDTJSZSA-N 0 0 331.290 2.289 10 10 EECERN Cc1cc(CNC(=O)NCc2cc(Br)ccc2O)no1 ZINC000804985245 811106162 /nfs/dbraw/zinc/10/61/62/811106162.db2.gz OXQDUEIADHGEQC-UHFFFAOYSA-N 0 0 340.177 2.451 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000808493079 812663767 /nfs/dbraw/zinc/66/37/67/812663767.db2.gz QNLAXUYDSPEVBF-UHFFFAOYSA-N 0 0 331.349 2.315 10 10 EECERN CCC1(C(=O)OCC(=O)C(C)=O)CCN(C(=O)c2ccccc2)CC1 ZINC000808535486 812705406 /nfs/dbraw/zinc/70/54/06/812705406.db2.gz NPJHMYPTEVQIBL-UHFFFAOYSA-N 0 0 345.395 2.020 10 10 EECERN OCc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)ncc1F ZINC000809348738 813097861 /nfs/dbraw/zinc/09/78/61/813097861.db2.gz FXCCCVNUXKJZBU-UHFFFAOYSA-N 0 0 349.381 2.425 10 10 EECERN Cc1c(=O)n(C)c2ccccc2c1C(=O)NCc1ccc(O)c(O)c1 ZINC001566360012 1125596872 /nfs/dbraw/zinc/59/68/72/1125596872.db2.gz VUNNSFPDUVXHDW-UHFFFAOYSA-N 0 0 338.363 2.188 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1csc(Br)n1 ZINC001445935483 1091870553 /nfs/dbraw/zinc/87/05/53/1091870553.db2.gz BOGFJDMPPYOGHH-UHFFFAOYSA-N 0 0 343.202 2.289 10 10 EECERN CCOC(=O)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001448153717 1104117985 /nfs/dbraw/zinc/11/79/85/1104117985.db2.gz FOXSJLSRLVOKHM-CYBMUJFWSA-N 0 0 332.360 2.407 10 10 EECERN CCCS(=O)(=O)c1ccccc1C(=O)NCc1cc(O)ccc1O ZINC001455357262 1108474491 /nfs/dbraw/zinc/47/44/91/1108474491.db2.gz QKKLHJFWFRIWLD-UHFFFAOYSA-N 0 0 349.408 2.212 10 10 EECERN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001463605882 1110377512 /nfs/dbraw/zinc/37/75/12/1110377512.db2.gz NXWUEHVIFBZINQ-LBPRGKRZSA-N 0 0 332.360 2.264 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CCN(C)C1=O ZINC001463815326 1110381178 /nfs/dbraw/zinc/38/11/78/1110381178.db2.gz YECLVTHQILUIAT-LJQANCHMSA-N 0 0 329.444 2.114 10 10 EECERN COC(=O)[C@@H](C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001465725734 1110422961 /nfs/dbraw/zinc/42/29/61/1110422961.db2.gz APCTUAATUYQTNW-SGTLLEGYSA-N 0 0 343.379 2.307 10 10 EECERN Cc1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1C1CC1 ZINC001466605317 1110439366 /nfs/dbraw/zinc/43/93/66/1110439366.db2.gz OAIUVBLKIUXRIY-UHFFFAOYSA-N 0 0 344.396 2.477 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(F)c1N ZINC001469231860 1110487486 /nfs/dbraw/zinc/48/74/86/1110487486.db2.gz ZIDVKFCTNMJPQB-UHFFFAOYSA-N 0 0 346.358 2.319 10 10 EECERN Cn1cnc2c1nccc2C(=O)NCc1ccc2cccnc2c1O ZINC001469250242 1110488073 /nfs/dbraw/zinc/48/80/73/1110488073.db2.gz SAPCMEGCBCLBAJ-UHFFFAOYSA-N 0 0 333.351 2.152 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2ccccc2SCC(N)=O)c1 ZINC001470255441 1110503843 /nfs/dbraw/zinc/50/38/43/1110503843.db2.gz VNFCIFNJHGJNCZ-UHFFFAOYSA-N 0 0 330.409 2.208 10 10 EECERN C[C@@H](C(=O)NCc1cccc(O)c1O)[C@H](C)NC(=O)OC(C)(C)C ZINC001471642163 1110526739 /nfs/dbraw/zinc/52/67/39/1110526739.db2.gz MBVZIEISJJJZCM-MNOVXSKESA-N 0 0 338.404 2.263 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ncc(Br)s1 ZINC001471662078 1110527746 /nfs/dbraw/zinc/52/77/46/1110527746.db2.gz MXKURVUZNZDNHO-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN C[C@]1(C(=O)NCc2cccc(Cl)c2O)Oc2ccccc2NC1=O ZINC001472316894 1110551661 /nfs/dbraw/zinc/55/16/61/1110551661.db2.gz LITJJAYIEYDBTK-QGZVFWFLSA-N 0 0 346.770 2.452 10 10 EECERN COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)c(F)c1 ZINC001546313291 1115752370 /nfs/dbraw/zinc/75/23/70/1115752370.db2.gz YZJDRINUGIIGKQ-AWEZNQCLSA-N 0 0 337.322 2.422 10 10 EECERN CN(C)c1nccc2c1CN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 ZINC001520818455 1119196158 /nfs/dbraw/zinc/19/61/58/1119196158.db2.gz VHOXCGHJLJUDNC-XQRVVYSFSA-N 0 0 339.395 2.157 10 10 EECERN CCC[C@@H](C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001522557562 1119420897 /nfs/dbraw/zinc/42/08/97/1119420897.db2.gz QWQBLUUAIAVMBJ-LLVKDONJSA-N 0 0 333.392 2.131 10 10 EECERN Cc1ncccc1/C=C/C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 ZINC001526859782 1120606855 /nfs/dbraw/zinc/60/68/55/1120606855.db2.gz GFKVDHNALLIQEI-IZZDOVSWSA-N 0 0 330.409 2.470 10 10 EECERN CCC(=O)NC[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001531733808 1122527513 /nfs/dbraw/zinc/52/75/13/1122527513.db2.gz DQBUGBLDUXKHPF-QGZVFWFLSA-N 0 0 345.403 2.274 10 10 EECERN COc1ccc2c(n1)N(C)CCN2C(=O)/C=C\c1cncc(F)c1 ZINC001538013932 1124018629 /nfs/dbraw/zinc/01/86/29/1124018629.db2.gz QJMOBIOKNLGYCB-UTCJRWHESA-N 0 0 328.347 2.121 10 10 EECERN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)N1CCCC[C@@H]1C ZINC001542940492 1124118249 /nfs/dbraw/zinc/11/82/49/1124118249.db2.gz URJDTRCQYMEEFI-RYUDHWBXSA-N 0 0 345.403 2.368 10 10 EECERN CN(C)c1noc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000192994870 529817984 /nfs/dbraw/zinc/81/79/84/529817984.db2.gz QPVHJAZGRDPLDL-AWEZNQCLSA-N 0 0 332.404 2.022 10 10 EECERN CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)C(=O)NC1=S ZINC000005926453 210560939 /nfs/dbraw/zinc/56/09/39/210560939.db2.gz QXBPLMGDPSZVMX-UVTDQMKNSA-N 0 0 340.404 2.495 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@H](O)C(F)(F)F)cc1 ZINC000079971716 463267400 /nfs/dbraw/zinc/26/74/00/463267400.db2.gz OIWSTPDKXYQBSY-ZDUSSCGKSA-N 0 0 333.354 2.255 10 10 EECERN COc1ccc2c(c1)CCN2S(=O)(=O)c1cccc2nsnc21 ZINC000058494918 463602691 /nfs/dbraw/zinc/60/26/91/463602691.db2.gz LDYPKCVHKXYVBJ-UHFFFAOYSA-N 0 0 347.421 2.451 10 10 EECERN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCC1 ZINC000179325924 464106454 /nfs/dbraw/zinc/10/64/54/464106454.db2.gz OLBNNRSTEWTFTK-JTQLQIEISA-N 0 0 326.418 2.072 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)Cc2nccn2C)c([N+](=O)[O-])c1 ZINC000270926157 464271957 /nfs/dbraw/zinc/27/19/57/464271957.db2.gz JXKNSMBOJAPVAU-FNORWQNLSA-N 0 0 330.344 2.151 10 10 EECERN CO[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000267109707 464917394 /nfs/dbraw/zinc/91/73/94/464917394.db2.gz YJENUSVMHNLNTG-LBPRGKRZSA-N 0 0 347.419 2.185 10 10 EECERN OCCOc1cncc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000363927670 466657329 /nfs/dbraw/zinc/65/73/29/466657329.db2.gz NSQUKZWECXRXBS-UHFFFAOYSA-N 0 0 332.791 2.190 10 10 EECERN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1[C@@H]1CCOC1 ZINC000528859695 467769130 /nfs/dbraw/zinc/76/91/30/467769130.db2.gz FMCGGFQUMXHEOT-CQSZACIVSA-N 0 0 330.384 2.408 10 10 EECERN Cc1ccc2c(n1)OCCN2C(=O)c1cn(C)nc1-c1cccnc1 ZINC000682799385 486557033 /nfs/dbraw/zinc/55/70/33/486557033.db2.gz LDCSXCIJTTYAGT-UHFFFAOYSA-N 0 0 335.367 2.225 10 10 EECERN CCOCc1nc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)no1 ZINC000291556039 529076510 /nfs/dbraw/zinc/07/65/10/529076510.db2.gz WFSWLOVMRZAANG-LLVKDONJSA-N 0 0 334.376 2.214 10 10 EECERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773008298 577310228 /nfs/dbraw/zinc/31/02/28/577310228.db2.gz NMUNGBSZLXYWDE-DOMZBBRYSA-N 0 0 335.473 2.241 10 10 EECERN COc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)nn1C ZINC000775916622 577448713 /nfs/dbraw/zinc/44/87/13/577448713.db2.gz GNEAWNLMQJTXBI-UHFFFAOYSA-N 0 0 329.404 2.133 10 10 EECERN O=C(NCc1cccc(Br)c1O)Nc1nncs1 ZINC000765210522 577497253 /nfs/dbraw/zinc/49/72/53/577497253.db2.gz LMGWBGVKISTOHC-UHFFFAOYSA-N 0 0 329.179 2.328 10 10 EECERN Cn1ncc2c1nc(NCc1cccc(Br)c1O)nc2N ZINC000767377896 577535752 /nfs/dbraw/zinc/53/57/52/577535752.db2.gz MZIQNUCRHITNQX-UHFFFAOYSA-N 0 0 349.192 2.026 10 10 EECERN COC(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000758473150 577625505 /nfs/dbraw/zinc/62/55/05/577625505.db2.gz ZKPNBTXLWHJHML-UHFFFAOYSA-N 0 0 345.374 2.456 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCc2noc(C3CC3)n2)c1 ZINC000763556122 577722570 /nfs/dbraw/zinc/72/25/70/577722570.db2.gz ZPBOGYJFIQKKQX-VIFPVBQESA-N 0 0 332.360 2.222 10 10 EECERN COc1ccc(O)c([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000756780294 577850178 /nfs/dbraw/zinc/85/01/78/577850178.db2.gz QQHBBLDGWYTLIT-GFCCVEGCSA-N 0 0 327.446 2.266 10 10 EECERN Cc1cc(C(=O)CN2CCNC(=O)[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000749842236 577982748 /nfs/dbraw/zinc/98/27/48/577982748.db2.gz MDQCBAPBVDRQIK-AWEZNQCLSA-N 0 0 343.402 2.236 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000255424197 677812236 /nfs/dbraw/zinc/81/22/36/677812236.db2.gz RUEIKOKIVNYCAW-TXNVCOODSA-N 0 0 348.277 2.140 10 10 EECERN COC(=O)CC(C)(C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000924982271 682253993 /nfs/dbraw/zinc/25/39/93/682253993.db2.gz RQOOFBFFCODJKP-UHFFFAOYSA-N 0 0 335.448 2.483 10 10 EECERN CCOC(=O)[C@H](C)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894539613 682961152 /nfs/dbraw/zinc/96/11/52/682961152.db2.gz VPKHBTWLMUJNIR-JTQLQIEISA-N 0 0 336.363 2.145 10 10 EECERN Cc1cc(C(=O)CN2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000024031935 683229031 /nfs/dbraw/zinc/22/90/31/683229031.db2.gz NVYLIQNCGKATHM-UHFFFAOYSA-N 0 0 342.395 2.338 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000914254373 683431494 /nfs/dbraw/zinc/43/14/94/683431494.db2.gz HOMIAGIAALYZIN-NXHRZFHOSA-N 0 0 347.459 2.136 10 10 EECERN COc1cc(C)cc(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000895377228 684560590 /nfs/dbraw/zinc/56/05/90/684560590.db2.gz LIDJJHQNRIHKLN-MRXNPFEDSA-N 0 0 347.436 2.469 10 10 EECERN O=C(NCCCN1CCCC1=O)c1cc2cc(O)c(O)cc2s1 ZINC000895451693 684605594 /nfs/dbraw/zinc/60/55/94/684605594.db2.gz DIUDJIUAZXTUPR-UHFFFAOYSA-N 0 0 334.397 2.055 10 10 EECERN CCC[C@@H]1C(=O)NCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897278109 686471217 /nfs/dbraw/zinc/47/12/17/686471217.db2.gz OYQSPFQHXDJTIK-SNVBAGLBSA-N 0 0 334.397 2.053 10 10 EECERN COC1([C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C(=O)[O-])CCC1 ZINC000904051898 694276015 /nfs/dbraw/zinc/27/60/15/694276015.db2.gz ZRVDVEFNKMUQGK-AWEZNQCLSA-N 0 0 328.359 2.143 10 10 EECERN CCNC(=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897556180 691602053 /nfs/dbraw/zinc/60/20/53/691602053.db2.gz IEWBTVCISZAUTP-UHFFFAOYSA-N 0 0 348.424 2.349 10 10 EECERN COc1cccc(C(=O)NCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001648892384 1176755114 /nfs/dbraw/zinc/75/51/14/1176755114.db2.gz XYYXTKCBGIONML-LBPRGKRZSA-N 0 0 328.368 2.008 10 10 EECERN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](C)c1ccccc1O)C2=O ZINC001648891751 1176755417 /nfs/dbraw/zinc/75/54/17/1176755417.db2.gz GPDYHUFJLCZXMS-LBPRGKRZSA-N 0 0 338.363 2.174 10 10 EECERN CCC(=O)NC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001746781757 1178643030 /nfs/dbraw/zinc/64/30/30/1178643030.db2.gz PALKVQFNYPJQOR-ZDUSSCGKSA-N 0 0 333.392 2.130 10 10 EECERN C[C@@H](NC(=O)COc1ccsn1)c1ccc(N2CCOCC2)cc1 ZINC001625882143 1179132391 /nfs/dbraw/zinc/13/23/91/1179132391.db2.gz DESRUTCMEZAQJV-CYBMUJFWSA-N 0 0 347.440 2.236 10 10 EECERN CC1(C(=O)NCC2(NC(=O)c3ccc(N=NC(N)=O)cc3)CC2)CC1 ZINC001299183173 1186876822 /nfs/dbraw/zinc/87/68/22/1186876822.db2.gz SWHQBBRTVOSBHX-UHFFFAOYSA-N 0 0 343.387 2.028 10 10 EECERN Cc1cc(F)cc(-n2cc(C(=O)NCc3ccc(O)cc3O)nn2)c1 ZINC001142533209 1188237759 /nfs/dbraw/zinc/23/77/59/1188237759.db2.gz HALNJOGCHWHEHS-UHFFFAOYSA-N 0 0 342.330 2.056 10 10 EECERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000905456085 1189735504 /nfs/dbraw/zinc/73/55/04/1189735504.db2.gz FUYLJEMYBBJELV-CRAIPNDOSA-N 0 0 332.444 2.297 10 10 EECERN Oc1ccc(Br)cc1CNc1ncnc2nccnc21 ZINC000794786501 1197969601 /nfs/dbraw/zinc/96/96/01/1197969601.db2.gz IKIUKXDSCLLNHX-UHFFFAOYSA-N 0 0 332.161 2.500 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H](C1CCC1)[C@H]1CCOC1 ZINC000865323398 1198168317 /nfs/dbraw/zinc/16/83/17/1198168317.db2.gz OJQIFBIMNAKCTL-MAUKXSAKSA-N 0 0 344.411 2.362 10 10 EECERN COC(=O)c1cc(OC[C@@H]2CC3(CCC3)C(=O)O2)ccc1N(C)C ZINC000865395196 1198195004 /nfs/dbraw/zinc/19/50/04/1198195004.db2.gz MIKBVTUSPWSHRV-ZDUSSCGKSA-N 0 0 333.384 2.404 10 10 EECERN COc1ccc(N2CCN(C(=O)c3nc([C@@H]4C[C@H]4C)no3)CC2)cc1 ZINC000865892828 1198416888 /nfs/dbraw/zinc/41/68/88/1198416888.db2.gz LBJQNPHDKIZNAD-IUODEOHRSA-N 0 0 342.399 2.164 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3cc(C)cc(=O)[nH]3)CC2)cc1 ZINC000814337059 1199437342 /nfs/dbraw/zinc/43/73/42/1199437342.db2.gz UXOKUWKNZYAPBD-UHFFFAOYSA-N 0 0 341.411 2.457 10 10 EECERN CC(C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCO1 ZINC000814968696 1199813700 /nfs/dbraw/zinc/81/37/00/1199813700.db2.gz BHVIENXTKFQBBN-OAHLLOKOSA-N 0 0 335.360 2.177 10 10 EECERN CC(C)n1ncc2c1C[C@@H](NC(=O)c1c(F)ccc(O)c1O)CC2 ZINC000825988207 1200005370 /nfs/dbraw/zinc/00/53/70/1200005370.db2.gz UZUHCVABISIGPL-NSHDSACASA-N 0 0 333.363 2.302 10 10 EECERN O=C(C1CC1)[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000811502702 1200113710 /nfs/dbraw/zinc/11/37/10/1200113710.db2.gz YUETXEFNIDLKKW-AWEZNQCLSA-N 0 0 340.217 2.335 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](C)O[C@H]3C)CC2)c(OC)c1 ZINC000870166691 1200531554 /nfs/dbraw/zinc/53/15/54/1200531554.db2.gz TUMGFLMSROEMSE-IJEWVQPXSA-N 0 0 348.443 2.166 10 10 EECERN O=C(CCn1cc(Br)cn1)N1Cc2cccc(O)c2C1 ZINC000871200317 1201097174 /nfs/dbraw/zinc/09/71/74/1201097174.db2.gz AGNALOSGDSPRJL-UHFFFAOYSA-N 0 0 336.189 2.284 10 10 EECERN Cc1ncsc1CCS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836560 1201691035 /nfs/dbraw/zinc/69/10/35/1201691035.db2.gz XRUQJNDZPQWSGJ-JTQLQIEISA-N 0 0 326.443 2.380 10 10 EECERN CC1CC(n2nnc3c2CN(C(=O)Nc2ccc(N)cc2)CC3)C1 ZINC000868164059 1201755921 /nfs/dbraw/zinc/75/59/21/1201755921.db2.gz UUDPOADMTDHDPI-UHFFFAOYSA-N 0 0 326.404 2.422 10 10 EECERN NC(=O)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCCC1 ZINC001137172549 1201802638 /nfs/dbraw/zinc/80/26/38/1201802638.db2.gz MKEGRLNVXAFKES-CQSZACIVSA-N 0 0 345.403 2.403 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C1CC2(CSC2)C1 ZINC000868966052 1201913797 /nfs/dbraw/zinc/91/37/97/1201913797.db2.gz JQOWKNPHJSWCNS-UHFFFAOYSA-N 0 0 349.452 2.427 10 10 EECERN COc1ccc(CNC(=O)NC[C@@H]2c3ccccc3CN2C)c(O)c1 ZINC000869106335 1201940741 /nfs/dbraw/zinc/94/07/41/1201940741.db2.gz FKPLISFZDIJZBR-QGZVFWFLSA-N 0 0 341.411 2.387 10 10 EECERN CC1(C)CC[C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)OC1 ZINC000925065731 1206066793 /nfs/dbraw/zinc/06/67/93/1206066793.db2.gz ZKBPDSUSGOMMRL-AWEZNQCLSA-N 0 0 332.400 2.362 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000928706171 1206413439 /nfs/dbraw/zinc/41/34/39/1206413439.db2.gz OPFMLYVFCVGDFM-MRXNPFEDSA-N 0 0 342.370 2.452 10 10 EECERN CCc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000795494149 1213273871 /nfs/dbraw/zinc/27/38/71/1213273871.db2.gz NTFGEIDONUVOQB-UHFFFAOYSA-N 0 0 329.400 2.312 10 10 EECERN C/C=C/[C@H](O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000900866811 1234927662 /nfs/dbraw/zinc/92/76/62/1234927662.db2.gz FKULLJKHZQQZQX-GRYLXXLRSA-N 0 0 340.370 2.310 10 10 EECERN O=C(NCc1c(O)cccc1F)Nc1ccc(N2CCOCC2)cn1 ZINC000902944155 1239151322 /nfs/dbraw/zinc/15/13/22/1239151322.db2.gz CSZJBZSBRYJKLP-UHFFFAOYSA-N 0 0 346.362 2.085 10 10 EECERN Cc1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000827611609 1248490783 /nfs/dbraw/zinc/49/07/83/1248490783.db2.gz XJBNRWMDJFJEFS-SJORKVTESA-N 0 0 348.830 2.315 10 10 EECERN CO[C@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000850171435 1277077296 /nfs/dbraw/zinc/07/72/96/1277077296.db2.gz MZTDXNKNOQIZGE-SFHVURJKSA-N 0 0 348.443 2.069 10 10 EECERN C[C@H]1CC(CNC(=O)C(=O)NCCc2ccc(N)cc2)C[C@H](C)C1 ZINC000851688180 1277718216 /nfs/dbraw/zinc/71/82/16/1277718216.db2.gz SAAGGDXNJDXQFO-ZIAGYGMSSA-N 0 0 331.460 2.116 10 10 EECERN CC1(C2CC2)CC[NH+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000851709067 1277720301 /nfs/dbraw/zinc/72/03/01/1277720301.db2.gz RDTHYKBSTVCQPC-UHFFFAOYSA-N 0 0 330.388 2.145 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](OC)C3)C2)cc1 ZINC000852455300 1292118502 /nfs/dbraw/zinc/11/85/02/1292118502.db2.gz UNJZPAYFYZVACZ-WMLDXEAASA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC4(CC4(F)F)C3)C2)cc1 ZINC000854295719 1292706422 /nfs/dbraw/zinc/70/64/22/1292706422.db2.gz ACKGXNSRIGXKBV-GFCCVEGCSA-N 0 0 337.370 2.325 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H]3CCC[C@H]3O)C2)cc1 ZINC000854299818 1292711104 /nfs/dbraw/zinc/71/11/04/1292711104.db2.gz RUNSQPDEDCWTCH-RVKKMQEKSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C(C)C)C(C)(C)O)C2)cc1 ZINC000854299688 1292711562 /nfs/dbraw/zinc/71/15/62/1292711562.db2.gz QTWCFSHSVAZXSJ-PBHICJAKSA-N 0 0 349.475 2.369 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCOCC4(CC4)C3)C2)cc1 ZINC000854299821 1292711592 /nfs/dbraw/zinc/71/15/92/1292711592.db2.gz RVKIXTMZCVAMHA-HNNXBMFYSA-N 0 0 345.443 2.096 10 10 EECERN CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854303403 1292713680 /nfs/dbraw/zinc/71/36/80/1292713680.db2.gz WJBMVLGKXODALV-BZUAXINKSA-N 0 0 347.459 2.483 10 10 EECERN COCC(COC)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854829011 1292959105 /nfs/dbraw/zinc/95/91/05/1292959105.db2.gz CKORJCZJLBEGKN-UHFFFAOYSA-N 0 0 330.428 2.414 10 10 EECERN COCc1cncc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855225670 1293117925 /nfs/dbraw/zinc/11/79/25/1293117925.db2.gz PRABHFVJFANTEC-INIZCTEOSA-N 0 0 341.411 2.245 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(CO)cc3)C2)cc1 ZINC000855229144 1293120710 /nfs/dbraw/zinc/12/07/10/1293120710.db2.gz KHPNHUWORUPYFA-INIZCTEOSA-N 0 0 326.396 2.196 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3nc(C)ncc3Cl)C2)cc1 ZINC000855230679 1293121139 /nfs/dbraw/zinc/12/11/39/1293121139.db2.gz HPFOGIYNMPCCQS-GFCCVEGCSA-N 0 0 346.818 2.456 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)Oc3cccnc3)C2)cc1 ZINC000855232643 1293122132 /nfs/dbraw/zinc/12/21/32/1293122132.db2.gz WCUUCLBHLOGXML-HUUCEWRRSA-N 0 0 341.411 2.253 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC34CCOCC4)C2)cc1 ZINC000855231682 1293122223 /nfs/dbraw/zinc/12/22/23/1293122223.db2.gz NGCLKVYINDVOQD-YOEHRIQHSA-N 0 0 330.428 2.207 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(O)cc3)C2)cc1 ZINC000855234111 1293123019 /nfs/dbraw/zinc/12/30/19/1293123019.db2.gz SIOWSVPBLJYCAN-OAHLLOKOSA-N 0 0 326.396 2.338 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]c(=O)cc3C)C2)cc1 ZINC000855233602 1293123132 /nfs/dbraw/zinc/12/31/32/1293123132.db2.gz IYIZWBSXBWEMMA-CYBMUJFWSA-N 0 0 327.384 2.113 10 10 EECERN CO[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000856209497 1293445422 /nfs/dbraw/zinc/44/54/22/1293445422.db2.gz QBJZPCVXGACFDH-IBGZPJMESA-N 0 0 346.471 2.469 10 10 EECERN CO[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856215128 1293448084 /nfs/dbraw/zinc/44/80/84/1293448084.db2.gz JZUKAWGKYFXRQN-MOPGFXCFSA-N 0 0 346.471 2.469 10 10 EECERN CCOc1cccc(CNC(c2ccnn2C)c2ccnn2C)c1O ZINC000858322219 1294082614 /nfs/dbraw/zinc/08/26/14/1294082614.db2.gz UXCBTBIBUBABQX-UHFFFAOYSA-N 0 0 341.415 2.137 10 10 EECERN CC(=O)NCc1ccc(CNC(=O)NCc2cc(C)ccc2O)cc1 ZINC000858598336 1294163679 /nfs/dbraw/zinc/16/36/79/1294163679.db2.gz CYAPRTXSRXEBJZ-UHFFFAOYSA-N 0 0 341.411 2.336 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC000860003888 1294747124 /nfs/dbraw/zinc/74/71/24/1294747124.db2.gz SBHXTPQEWGMACU-HNNXBMFYSA-N 0 0 349.383 2.029 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]1C1CC1 ZINC000797432785 1304740844 /nfs/dbraw/zinc/74/08/44/1304740844.db2.gz SFENCDURKKFNAR-GOEBONIOSA-N 0 0 333.407 2.260 10 10 EECERN COc1ccc(N2CCN(Cc3cnc(OC)nc3C)CC2)cc1F ZINC000799128107 1305163388 /nfs/dbraw/zinc/16/33/88/1305163388.db2.gz MHGZNCNHWYVBPH-UHFFFAOYSA-N 0 0 346.406 2.264 10 10 EECERN O=C(C(=O)N1Cc2cccc(O)c2C1)N1CC[C@H]1c1ccc(F)cc1 ZINC001119023034 1308975737 /nfs/dbraw/zinc/97/57/37/1308975737.db2.gz KMGOJLGGECDHSX-INIZCTEOSA-N 0 0 340.354 2.347 10 10 EECERN CC(=O)N[C@@H](CC(=O)NCc1cccc(O)c1O)c1ccc(C)cc1 ZINC001123887871 1310751210 /nfs/dbraw/zinc/75/12/10/1310751210.db2.gz DQMOCVHAYSXZJD-INIZCTEOSA-N 0 0 342.395 2.290 10 10 EECERN CN1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1Cc1ccccc1 ZINC001140247975 1314844850 /nfs/dbraw/zinc/84/48/50/1314844850.db2.gz KBTAHMBFVKTILS-KRWDZBQOSA-N 0 0 340.423 2.026 10 10 EECERN CCOC(=O)[C@H](CC)C(=O)NCc1cc(Br)ccc1O ZINC000839761961 1315240926 /nfs/dbraw/zinc/24/09/26/1315240926.db2.gz NFDYERDAWHULBG-LLVKDONJSA-N 0 0 344.205 2.360 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc(CO)on1 ZINC001141722455 1315258476 /nfs/dbraw/zinc/25/84/76/1315258476.db2.gz BRTMTJULKJZQQW-UHFFFAOYSA-N 0 0 335.323 2.129 10 10 EECERN CC(C)[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCC(=O)N1 ZINC000840975349 1315449993 /nfs/dbraw/zinc/44/99/93/1315449993.db2.gz GDJYTWVIHZBWCS-GFCCVEGCSA-N 0 0 341.795 2.443 10 10 EECERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112179 1315478233 /nfs/dbraw/zinc/47/82/33/1315478233.db2.gz LPCPZZHPLOUGBA-PXAZEXFGSA-N 0 0 339.395 2.058 10 10 EECERN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001142444233 1315611069 /nfs/dbraw/zinc/61/10/69/1315611069.db2.gz OONKKKOBGGKHMA-TZMCWYRMSA-N 0 0 349.427 2.467 10 10 EECERN Cc1cc(C)cc(CN(C)C(=O)C(=O)NCCc2ccc(N)cc2)c1 ZINC000842241613 1315678587 /nfs/dbraw/zinc/67/85/87/1315678587.db2.gz FYZWDRYWCBHWHO-UHFFFAOYSA-N 0 0 339.439 2.203 10 10 EECERN COC(=O)c1cnc(CNC(=O)c2ccc(N=NC(N)=O)cc2)s1 ZINC001155537227 1317642336 /nfs/dbraw/zinc/64/23/36/1317642336.db2.gz WMTRWSLSCREGKS-UHFFFAOYSA-N 0 0 347.356 2.022 10 10 EECERN O=C(NCc1c(O)cccc1F)c1c(C(F)F)nc2cnccn21 ZINC001156170079 1317905479 /nfs/dbraw/zinc/90/54/79/1317905479.db2.gz FRSLOUHHCBCDPW-UHFFFAOYSA-N 0 0 336.273 2.442 10 10 EECERN Nc1cc(Br)ccc1C(=O)NCc1c(O)cccc1O ZINC001156886067 1318263867 /nfs/dbraw/zinc/26/38/67/1318263867.db2.gz SHPGSYXRONSRMX-UHFFFAOYSA-N 0 0 337.173 2.373 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)COCc3ccncc3)C2)cc1 ZINC001261773439 1322175892 /nfs/dbraw/zinc/17/58/92/1322175892.db2.gz DJDLWKPOUTYRDU-INIZCTEOSA-N 0 0 341.411 2.002 10 10 EECERN CCS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261863594 1322189542 /nfs/dbraw/zinc/18/95/42/1322189542.db2.gz FSLLINZANADNPT-ZIAGYGMSSA-N 0 0 348.468 2.367 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2ccnc(-n3cccn3)c2)cc1 ZINC001290830725 1328283518 /nfs/dbraw/zinc/28/35/18/1328283518.db2.gz PFCJIFAIGXVRBG-UHFFFAOYSA-N 0 0 349.354 2.360 10 10 EECERN C/C=C(/C)C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295457927 1329813016 /nfs/dbraw/zinc/81/30/16/1329813016.db2.gz KSRILZCXBFQEHK-JQWKHLAZSA-N 0 0 331.376 2.050 10 10 EECERN CCn1cncc1/C=C1/OCCn2c(C=O)c(Br)nc21 ZINC000901573791 1331515309 /nfs/dbraw/zinc/51/53/09/1331515309.db2.gz BUSQCULWHOVHSI-VZUCSPMQSA-N 0 0 337.177 2.203 10 10 EECERN CCN(CCc1ccccc1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331949010 1335684956 /nfs/dbraw/zinc/68/49/56/1335684956.db2.gz FUFNGHWWQZEOEE-UHFFFAOYSA-N 0 0 338.407 2.326 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCCSC[C@@H]1C ZINC001332867042 1335921523 /nfs/dbraw/zinc/92/15/23/1335921523.db2.gz PVQJTIBBEGXLBZ-AWEZNQCLSA-N 0 0 349.500 2.031 10 10 EECERN CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C(C)(C)C1=O ZINC001333999098 1336189542 /nfs/dbraw/zinc/18/95/42/1336189542.db2.gz JCYLKGHZCJOOPK-UHFFFAOYSA-N 0 0 334.397 2.005 10 10 EECERN CC(C)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC001340618632 1337216463 /nfs/dbraw/zinc/21/64/63/1337216463.db2.gz VUCSHKJPKOCWTE-KRWDZBQOSA-N 0 0 343.471 2.408 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC001343455404 1337334208 /nfs/dbraw/zinc/33/42/08/1337334208.db2.gz XLCIEDWLCILHLO-HALDLXJZSA-N 0 0 347.434 2.203 10 10 EECERN CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2C)c1C(F)F ZINC000848820761 1338776636 /nfs/dbraw/zinc/77/66/36/1338776636.db2.gz WUFPYPBQEUAUPF-UHFFFAOYSA-N 0 0 336.294 2.433 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC(C)(C)CC(=O)OC ZINC001556515625 1342430323 /nfs/dbraw/zinc/43/03/23/1342430323.db2.gz GENNWMMCWWFFAG-UHFFFAOYSA-N 0 0 328.405 2.474 10 10 EECERN Cc1nnc(-c2ccccc2C(=O)NCc2c(O)cccc2O)o1 ZINC001558534541 1342480675 /nfs/dbraw/zinc/48/06/75/1342480675.db2.gz UFOVZCIIWLZYRU-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2ccccc2F)C1 ZINC001569999328 1342994462 /nfs/dbraw/zinc/99/44/62/1342994462.db2.gz HQYFMUOCKQPLNR-ZDUSSCGKSA-N 0 0 330.359 2.175 10 10 EECERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001583516809 1344910988 /nfs/dbraw/zinc/91/09/88/1344910988.db2.gz WSRPUVDBQBYVII-LLVKDONJSA-N 0 0 344.367 2.252 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1c(O)cnc2c(F)cccc21 ZINC001595751405 1349893924 /nfs/dbraw/zinc/89/39/24/1349893924.db2.gz HYVMFMGFWDRLPP-UHFFFAOYSA-N 0 0 342.326 2.463 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@]3(C)CC(C)=NO3)CC2)cc1 ZINC001596732617 1349911663 /nfs/dbraw/zinc/91/16/63/1349911663.db2.gz FPJMGHKZCWFXEX-SFHVURJKSA-N 0 0 331.416 2.289 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c2c(ccc1F)OCO2 ZINC001624954427 1352435866 /nfs/dbraw/zinc/43/58/66/1352435866.db2.gz IDBHNMDZMPPLHZ-VIFPVBQESA-N 0 0 333.315 2.327 10 10 EECERN COC(=O)[C@H](C)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001626558230 1352466583 /nfs/dbraw/zinc/46/65/83/1352466583.db2.gz LNYVWQDGLQZKNK-SNVBAGLBSA-N 0 0 332.360 2.263 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cccc3[nH]c(CO)nc32)cc1F ZINC001627046334 1352481234 /nfs/dbraw/zinc/48/12/34/1352481234.db2.gz RPCHBGCDIXQSKT-UHFFFAOYSA-N 0 0 342.374 2.190 10 10 EECERN COc1cccc(CNC(=O)/C(=C/c2cccs2)NC(C)=O)c1O ZINC001631540523 1352586098 /nfs/dbraw/zinc/58/60/98/1352586098.db2.gz UIVMLJKSICIIRX-ZROIWOOFSA-N 0 0 346.408 2.256 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1ccc(-n2cnnc2)cc1 ZINC001643283090 1352745044 /nfs/dbraw/zinc/74/50/44/1352745044.db2.gz FXRQGCRUQFFDNA-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2c1NC(=O)CO2 ZINC001643341664 1352746838 /nfs/dbraw/zinc/74/68/38/1352746838.db2.gz AFANXIIAOLGQJY-ALCCZGGFSA-N 0 0 326.308 2.081 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(O[C@H]2CCOC2)cc1 ZINC001647270261 1353213311 /nfs/dbraw/zinc/21/33/11/1353213311.db2.gz PVZKXVZOXVCXGM-AWEZNQCLSA-N 0 0 329.352 2.196 10 10 EECERN Cc1cc(CNC(=O)CN2CCOC2=O)c(C)n1-c1cccc(C)c1 ZINC001648612017 1353435907 /nfs/dbraw/zinc/43/59/07/1353435907.db2.gz UOGGCNHZTANHOS-UHFFFAOYSA-N 0 0 341.411 2.471 10 10 EECERN Cc1cc(C)cc(C(=O)NCC(=O)NCc2c(O)cccc2F)c1 ZINC001652295469 1354085857 /nfs/dbraw/zinc/08/58/57/1354085857.db2.gz KPOAMNMYYBXQRQ-UHFFFAOYSA-N 0 0 330.359 2.194 10 10 EECERN Cc1cc(C(=O)NCc2c(O)cccc2O)c(C)n1-c1ccon1 ZINC001652625899 1354097292 /nfs/dbraw/zinc/09/72/92/1354097292.db2.gz NDZVJAUTHIGNGF-UHFFFAOYSA-N 0 0 327.340 2.423 10 10 EECERN O=C(NCc1c(O)cccc1O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001652626537 1354097532 /nfs/dbraw/zinc/09/75/32/1354097532.db2.gz XZQWLWRURGMNTD-UHFFFAOYSA-N 0 0 327.296 2.417 10 10 EECERN C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C ZINC001680035469 1357791326 /nfs/dbraw/zinc/79/13/26/1357791326.db2.gz GIJWIQSZUWBKEP-UHIISALHSA-N 0 0 345.403 2.082 10 10 EECERN C[C@@H](NC(=O)NCc1nc(-c2ccccn2)n[nH]1)c1ccccc1O ZINC001681107847 1357952696 /nfs/dbraw/zinc/95/26/96/1357952696.db2.gz RNQVZQYCXKWXEP-LLVKDONJSA-N 0 0 338.371 2.133 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)C2=C[S@@](=O)CCC2)cc1 ZINC001144879125 790297236 /nfs/dbraw/zinc/29/72/36/790297236.db2.gz MISDXTXLKSPPRB-QHCPKHFHSA-N 0 0 336.457 2.016 10 10 EECERN CCOC(=O)CN(C(=O)/C=C\c1cn(C)cn1)c1ccc(F)cc1 ZINC001125332212 757510046 /nfs/dbraw/zinc/51/00/46/757510046.db2.gz OXLMZQASVSXMAE-TWGQIWQCSA-N 0 0 331.347 2.169 10 10 EECERN Cn1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(C(F)(F)F)n1 ZINC000588408656 759630771 /nfs/dbraw/zinc/63/07/71/759630771.db2.gz YIHXNCKVFWPYAM-HYXAFXHYSA-N 0 0 341.289 2.180 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCc1noc2c1COCC2 ZINC000919081137 769574676 /nfs/dbraw/zinc/57/46/76/769574676.db2.gz IGFWJESXHHJJRU-UHFFFAOYSA-N 0 0 344.415 2.121 10 10 EECERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000906510338 783956360 /nfs/dbraw/zinc/95/63/60/783956360.db2.gz AKIUSMBRKAYSMO-FSPWUOQZSA-N 0 0 332.444 2.451 10 10 EECERN C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCOC2)c1ccc(N(C)C)cc1 ZINC000907491166 784673906 /nfs/dbraw/zinc/67/39/06/784673906.db2.gz BYKHBWMMHBLYEE-GFCCVEGCSA-N 0 0 341.411 2.417 10 10 EECERN COCn1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001136025305 785017669 /nfs/dbraw/zinc/01/76/69/785017669.db2.gz FRXNDDKYTJHYTN-UHFFFAOYSA-N 0 0 328.416 2.359 10 10 EECERN CNc1nccc(C(=O)NCc2cc(Cl)ccc2O)c1[N+](=O)[O-] ZINC001146231218 791142448 /nfs/dbraw/zinc/14/24/48/791142448.db2.gz CMQFZGRWKPSVQE-UHFFFAOYSA-N 0 0 336.735 2.321 10 10 EECERN CC[C@@H](O)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000822884204 787432277 /nfs/dbraw/zinc/43/22/77/787432277.db2.gz ZTYXLFQULUQJDM-MSOLQXFVSA-N 0 0 334.460 2.421 10 10 EECERN CO[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1 ZINC000824261595 788112205 /nfs/dbraw/zinc/11/22/05/788112205.db2.gz HAJSKINUDNNJOG-WMZOPIPTSA-N 0 0 332.444 2.345 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccnn2C2CCOCC2)cc1F ZINC000824669596 788268454 /nfs/dbraw/zinc/26/84/54/788268454.db2.gz NWNMUFOKDZESKC-UHFFFAOYSA-N 0 0 346.406 2.370 10 10 EECERN CON1CCC(CC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000824675944 788270273 /nfs/dbraw/zinc/27/02/73/788270273.db2.gz AJXGNCSKJLLYAI-UHFFFAOYSA-N 0 0 331.460 2.349 10 10 EECERN CCOC1(C)CN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000824682366 788272381 /nfs/dbraw/zinc/27/23/81/788272381.db2.gz YQJIGUQVRKOFRI-OAHLLOKOSA-N 0 0 347.459 2.342 10 10 EECERN C[C@@H](CNC(=O)NCc1c(O)cccc1F)C(=O)OC(C)(C)C ZINC000923123117 788893364 /nfs/dbraw/zinc/89/33/64/788893364.db2.gz UQJVSTRPHUHXCB-JTQLQIEISA-N 0 0 326.368 2.308 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCCC(=O)[C@H]3C)C2)cc1 ZINC000923189602 789090835 /nfs/dbraw/zinc/09/08/35/789090835.db2.gz YQYUBYHKJRRKFX-ZIAGYGMSSA-N 0 0 331.416 2.037 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2cnn3c2CCCC3)cc1 ZINC000844855143 789402285 /nfs/dbraw/zinc/40/22/85/789402285.db2.gz QFXVVEQTCZXTRQ-UHFFFAOYSA-N 0 0 342.443 2.436 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCC[C@@]1(O)CCOC1 ZINC000845453905 789806364 /nfs/dbraw/zinc/80/63/64/789806364.db2.gz CIQFSVRXBJWGFG-GOSISDBHSA-N 0 0 336.432 2.245 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000845835250 789964186 /nfs/dbraw/zinc/96/41/86/789964186.db2.gz YJCJYMCSQWTKMG-QWHCGFSZSA-N 0 0 335.400 2.472 10 10 EECERN O=S(=O)(CCOCC1CCC1)NCc1cc(Cl)ccc1O ZINC000845995397 790028243 /nfs/dbraw/zinc/02/82/43/790028243.db2.gz ADKMHIKINBKULJ-UHFFFAOYSA-N 0 0 333.837 2.282 10 10 EECERN COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000846433020 790156902 /nfs/dbraw/zinc/15/69/02/790156902.db2.gz KQJYBJDQKLSPQK-DLBZAZTESA-N 0 0 346.402 2.455 10 10 EECERN O=C(Cc1cccnc1Br)NCc1c(O)cccc1O ZINC001178910652 799696251 /nfs/dbraw/zinc/69/62/51/799696251.db2.gz GRVPAESBBNJRGE-UHFFFAOYSA-N 0 0 337.173 2.114 10 10 EECERN C[C@H](Sc1nncn1C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179030009 799759277 /nfs/dbraw/zinc/75/92/77/799759277.db2.gz WIEMYGOHQREOIL-NSHDSACASA-N 0 0 342.424 2.471 10 10 EECERN Cc1cc(Br)c(O)c(CN2CC(=O)N(CC3CC3)C2)c1 ZINC000789778410 808185981 /nfs/dbraw/zinc/18/59/81/808185981.db2.gz QIOFXTWJSDGSLV-UHFFFAOYSA-N 0 0 339.233 2.475 10 10 EECERN COC(=O)c1cncnc1/C=C/c1ccc(N2CCOCC2)cc1 ZINC000790609638 808846785 /nfs/dbraw/zinc/84/67/85/808846785.db2.gz NJCJTKDPOXPLPH-QPJJXVBHSA-N 0 0 325.368 2.270 10 10 EECERN O=S1(=O)CCC(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790982125 809028130 /nfs/dbraw/zinc/02/81/30/809028130.db2.gz QRMFDMVLDWJIRD-UHFFFAOYSA-N 0 0 335.828 2.489 10 10 EECERN C[C@@H](NC(=O)CO[C@@H](C)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000805199961 811183404 /nfs/dbraw/zinc/18/34/04/811183404.db2.gz KCJNEWNQCLJZMY-KGLIPLIRSA-N 0 0 330.432 2.441 10 10 EECERN CC(C)[C@H](C)CNC(=O)C(=O)NCCCSc1nccs1 ZINC000806281999 811814829 /nfs/dbraw/zinc/81/48/29/811814829.db2.gz FAMRFKOCNDIXHD-LLVKDONJSA-N 0 0 329.491 2.150 10 10 EECERN CO[C@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000806542705 811900561 /nfs/dbraw/zinc/90/05/61/811900561.db2.gz WVQYCORUUJDIFL-JCGIZDLHSA-N 0 0 347.459 2.403 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O ZINC000808546966 812715841 /nfs/dbraw/zinc/71/58/41/812715841.db2.gz DHFKZMBQEXSEIY-UHFFFAOYSA-N 0 0 330.340 2.016 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC1(c2ccc3c(c2)OCO3)CC1 ZINC001445856992 1091773536 /nfs/dbraw/zinc/77/35/36/1091773536.db2.gz ABIRWVSKIDAVNU-UHFFFAOYSA-N 0 0 327.336 2.175 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2n(n1)CCC[C@@H]2O ZINC001442341210 1096664897 /nfs/dbraw/zinc/66/48/97/1096664897.db2.gz FARNCESPTNJYOB-SFHVURJKSA-N 0 0 342.443 2.439 10 10 EECERN CC(=O)Nc1cnccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001442390537 1096711975 /nfs/dbraw/zinc/71/19/75/1096711975.db2.gz ZXMZBLRMPZXDJN-UHFFFAOYSA-N 0 0 338.411 2.352 10 10 EECERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc([S@](C)=O)cc1 ZINC001447301047 1102403314 /nfs/dbraw/zinc/40/33/14/1102403314.db2.gz IEODNKVMNKYXAG-RULNZOCKSA-N 0 0 333.409 2.255 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)NCc1cc(=O)c2ccccc2[nH]1 ZINC001455050830 1108148235 /nfs/dbraw/zinc/14/82/35/1108148235.db2.gz IQNRYLGREJGWCN-SOFGYWHQSA-N 0 0 336.347 2.269 10 10 EECERN CCN1CC[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001464311886 1110391514 /nfs/dbraw/zinc/39/15/14/1110391514.db2.gz WMYMVBIOTVIBJR-IYOUNJFTSA-N 0 0 349.450 2.150 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ccnn1CCc1ccccc1 ZINC001465953483 1110427154 /nfs/dbraw/zinc/42/71/54/1110427154.db2.gz GUDHOFKUYVPTSP-UHFFFAOYSA-N 0 0 337.379 2.467 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1cncc2[nH]cnc21 ZINC001467763835 1110463130 /nfs/dbraw/zinc/46/31/30/1110463130.db2.gz NDOZBLZGGJFXOM-UHFFFAOYSA-N 0 0 347.172 2.356 10 10 EECERN COc1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(C)c1OC ZINC001472624265 1110560850 /nfs/dbraw/zinc/56/08/50/1110560850.db2.gz ULYWZBWXKBJLPR-UHFFFAOYSA-N 0 0 335.331 2.493 10 10 EECERN CNC(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)nn1 ZINC001527155211 1120694473 /nfs/dbraw/zinc/69/44/73/1120694473.db2.gz UXQJLUGCXTXWDS-UHFFFAOYSA-N 0 0 349.394 2.496 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1F ZINC000116539722 529781560 /nfs/dbraw/zinc/78/15/60/529781560.db2.gz XQQLLAOHNOQPRA-AWEZNQCLSA-N 0 0 345.422 2.324 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cn[nH]c1 ZINC000040555340 463462466 /nfs/dbraw/zinc/46/24/66/463462466.db2.gz IRXQUYUIUGZTLL-UHFFFAOYSA-N 0 0 334.445 2.221 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCc3cc[nH]c(=O)c3C2)cc1F ZINC000277314759 463907640 /nfs/dbraw/zinc/90/76/40/463907640.db2.gz VXDAIBWQGJNTEP-UHFFFAOYSA-N 0 0 344.390 2.260 10 10 EECERN Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(O)c1O ZINC000277723831 463929393 /nfs/dbraw/zinc/92/93/93/463929393.db2.gz YLLLUHIXCSBQLD-NOZJJQNGSA-N 0 0 333.306 2.182 10 10 EECERN CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000283916259 464040247 /nfs/dbraw/zinc/04/02/47/464040247.db2.gz INWPBIYYFFHOID-AAEUAGOBSA-N 0 0 346.811 2.201 10 10 EECERN CN(C)c1ccc(CNC(=O)NC[C@@H](O)Cc2ccccc2)cc1 ZINC000264179557 464287812 /nfs/dbraw/zinc/28/78/12/464287812.db2.gz AKDRZLBEFQWWLH-SFHVURJKSA-N 0 0 327.428 2.155 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000293186330 464392272 /nfs/dbraw/zinc/39/22/72/464392272.db2.gz AWZMHJJVFIHIJL-AWEZNQCLSA-N 0 0 339.457 2.346 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1cc(C)on1 ZINC000264635384 464401997 /nfs/dbraw/zinc/40/19/97/464401997.db2.gz SPOKRVJKFIDQDN-UHFFFAOYSA-N 0 0 337.445 2.401 10 10 EECERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc2c(c1)OCO2 ZINC000245618911 464499755 /nfs/dbraw/zinc/49/97/55/464499755.db2.gz AWHSNJGAWATBFR-HUUCEWRRSA-N 0 0 332.400 2.022 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1cnc(C2CC2)nc1 ZINC000294670268 464569034 /nfs/dbraw/zinc/56/90/34/464569034.db2.gz XALLKOIXTJPWKB-UHFFFAOYSA-N 0 0 338.411 2.121 10 10 EECERN Cc1cc(Br)cc(CN2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282417151 464811164 /nfs/dbraw/zinc/81/11/64/464811164.db2.gz DODXKWFKRBNCOJ-SNVBAGLBSA-N 0 0 327.222 2.126 10 10 EECERN C[C@H]1OCC[C@H]1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276120577 464815385 /nfs/dbraw/zinc/81/53/85/464815385.db2.gz YQWSUVLDYMBGRX-CXAGYDPISA-N 0 0 338.473 2.224 10 10 EECERN CCOC(=O)c1cnc2c(N=Nc3ccccc3)c(N)nn2c1N ZINC000252623973 464985063 /nfs/dbraw/zinc/98/50/63/464985063.db2.gz PDIAEKUQDRSQIV-UHFFFAOYSA-N 0 0 325.332 2.486 10 10 aggregator EECERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000101775191 527941761 /nfs/dbraw/zinc/94/17/61/527941761.db2.gz YZRBOOHVAAAVMO-MRXNPFEDSA-N 0 0 346.475 2.343 10 10 EECERN COc1ccccc1NC(=O)COC(=O)c1ccc(C)c(O)c1O ZINC000727005946 576385499 /nfs/dbraw/zinc/38/54/99/576385499.db2.gz XYMFJVUIBJVEDV-UHFFFAOYSA-N 0 0 331.324 2.210 10 10 EECERN COC(=O)CCCCCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729047500 576592568 /nfs/dbraw/zinc/59/25/68/576592568.db2.gz JDDDLHUIQGXBDV-GFCCVEGCSA-N 0 0 338.404 2.494 10 10 EECERN Cc1occc1C(=O)NC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732284233 577166406 /nfs/dbraw/zinc/16/64/06/577166406.db2.gz LYSOPIBODCLXJG-UHFFFAOYSA-N 0 0 334.397 2.390 10 10 EECERN COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000776744649 577466942 /nfs/dbraw/zinc/46/69/42/577466942.db2.gz MQMKXHZFWYUVLJ-WCIBSUBMSA-N 0 0 333.365 2.379 10 10 EECERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000760885947 577671385 /nfs/dbraw/zinc/67/13/85/577671385.db2.gz LBEVLTXGXYEHGI-VXGBXAGGSA-N 0 0 338.404 2.493 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000762180452 577696684 /nfs/dbraw/zinc/69/66/84/577696684.db2.gz BNUVRIYQLUPKEB-STMXVASLSA-N 0 0 347.371 2.015 10 10 EECERN C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756511414 577845418 /nfs/dbraw/zinc/84/54/18/577845418.db2.gz XDIPRSQRKXSYMK-HQJQHLMTSA-N 0 0 331.185 2.223 10 10 EECERN O=C1N=C(N2CCOCC2)SC1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000742430758 577872916 /nfs/dbraw/zinc/87/29/16/577872916.db2.gz ARCUJTJSKZQRGD-GXDHUFHOSA-N 0 0 340.408 2.379 10 10 EECERN O=C(NCc1ccccc1O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000748345839 577959688 /nfs/dbraw/zinc/95/96/88/577959688.db2.gz PLIGSZDPYQFUJU-HNNXBMFYSA-N 0 0 340.379 2.019 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cncn1CC ZINC000748683826 577965768 /nfs/dbraw/zinc/96/57/68/577965768.db2.gz JCIZKKMIPCLKRP-UHFFFAOYSA-N 0 0 336.461 2.180 10 10 EECERN Oc1ccc(Br)cc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000735408737 578152577 /nfs/dbraw/zinc/15/25/77/578152577.db2.gz WXQRWMXBPOEFHS-UHFFFAOYSA-N 0 0 338.209 2.227 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000177296009 681232540 /nfs/dbraw/zinc/23/25/40/681232540.db2.gz KFJDCDHHOYNJDX-INIZCTEOSA-N 0 0 340.427 2.187 10 10 EECERN Cc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)c(O)c1O ZINC000914389159 683542159 /nfs/dbraw/zinc/54/21/59/683542159.db2.gz ONQDOKIFNAKTOP-ZDUSSCGKSA-N 0 0 335.400 2.112 10 10 EECERN Cc1cccc(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000930519369 683919591 /nfs/dbraw/zinc/91/95/91/683919591.db2.gz KOBIVXRUSIQFCL-UHFFFAOYSA-N 0 0 338.407 2.331 10 10 EECERN COC(=O)[C@@H](CC1CCOCC1)NCc1ccc(N(C)C)c(F)c1 ZINC000895593169 684659060 /nfs/dbraw/zinc/65/90/60/684659060.db2.gz ZRGKEAJOVHMVIS-MRXNPFEDSA-N 0 0 338.423 2.340 10 10 EECERN COC(=O)CCN(CC(=O)OC(C)(C)C)Cc1cc(C)ccc1O ZINC000895712872 684694761 /nfs/dbraw/zinc/69/47/61/684694761.db2.gz FFZKIOYEVZMIOJ-UHFFFAOYSA-N 0 0 337.416 2.407 10 10 EECERN CCC(=O)N1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896994612 686032050 /nfs/dbraw/zinc/03/20/50/686032050.db2.gz DZOCQMXJWNMLGR-JTQLQIEISA-N 0 0 334.397 2.053 10 10 EECERN COC(=O)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1C ZINC000897520292 690830229 /nfs/dbraw/zinc/83/02/29/690830229.db2.gz DZRAJWQZIAZLKN-SCZZXKLOSA-N 0 0 335.381 2.336 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000897866309 691806071 /nfs/dbraw/zinc/80/60/71/691806071.db2.gz WBDKVPXWJGFTLV-KDDMCQSNSA-N 0 0 343.471 2.338 10 10 EECERN NC(=O)[C@@H]1CC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC001126783297 1188202173 /nfs/dbraw/zinc/20/21/73/1188202173.db2.gz IJNSQVGWCSQTJG-OLZOCXBDSA-N 0 0 349.394 2.236 10 10 EECERN Nc1c(Br)cccc1C(=O)NCc1ccc(O)cc1O ZINC001142537653 1188241612 /nfs/dbraw/zinc/24/16/12/1188241612.db2.gz PMECYGOKVQPNJK-UHFFFAOYSA-N 0 0 337.173 2.373 10 10 EECERN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000871539248 1197766072 /nfs/dbraw/zinc/76/60/72/1197766072.db2.gz FNSQCZJBGLUKSA-BXLSQVKPSA-N 0 0 333.384 2.348 10 10 EECERN CCO[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC000864863369 1197972303 /nfs/dbraw/zinc/97/23/03/1197972303.db2.gz PJHNHLBVRBOGNL-FUHWJXTLSA-N 0 0 332.444 2.345 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000124554445 1198621496 /nfs/dbraw/zinc/62/14/96/1198621496.db2.gz XHDCFKFEWDCXFJ-ZYHUDNBSSA-N 0 0 332.404 2.424 10 10 EECERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N3Cc4cccc(O)c4C3)[C@H]2C1 ZINC000875587883 1199308339 /nfs/dbraw/zinc/30/83/39/1199308339.db2.gz KVYMNWOMMZOJSR-JLJPHGGASA-N 0 0 343.427 2.064 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCC([C@H](F)C(N)=O)CC2)c1O ZINC000879044528 1200825357 /nfs/dbraw/zinc/82/53/57/1200825357.db2.gz DQFKZTCWRBSMGV-AWEZNQCLSA-N 0 0 342.798 2.284 10 10 EECERN CC1(C)[C@H](O)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000812877256 1200963770 /nfs/dbraw/zinc/96/37/70/1200963770.db2.gz VATNLMPDWKBTLD-MRXNPFEDSA-N 0 0 349.500 2.295 10 10 EECERN CCCCC(=O)N1CSC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203112 1201097923 /nfs/dbraw/zinc/09/79/23/1201097923.db2.gz SUJWEAYSHZYBNI-AWEZNQCLSA-N 0 0 334.441 2.326 10 10 EECERN O=C([C@H](C[C@@H]1COCCO1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871205887 1201099087 /nfs/dbraw/zinc/09/90/87/1201099087.db2.gz MXNCPYIRARSROU-YPMHNXCESA-N 0 0 345.317 2.218 10 10 EECERN CC[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc(Cl)c1[O-] ZINC000866520846 1201539193 /nfs/dbraw/zinc/53/91/93/1201539193.db2.gz IPBTZMXVRZWUJN-XJKSGUPXSA-N 0 0 340.807 2.308 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)OC)O1 ZINC000866598368 1201557971 /nfs/dbraw/zinc/55/79/71/1201557971.db2.gz AIHWYYPEUROKSO-RCBQFDQVSA-N 0 0 335.400 2.097 10 10 EECERN COC(=O)c1ccc(CC(=O)N[C@H](C)c2cc(OC)ccc2O)cn1 ZINC000866763835 1201600302 /nfs/dbraw/zinc/60/03/02/1201600302.db2.gz IDSWGFKZHGFBRX-LLVKDONJSA-N 0 0 344.367 2.002 10 10 EECERN COCCn1ncc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1C ZINC000866762993 1201600409 /nfs/dbraw/zinc/60/04/09/1201600409.db2.gz BPONTFGIQXYPDS-NSHDSACASA-N 0 0 333.388 2.043 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2c(OC)ccnc2OC)c1 ZINC000866765087 1201600899 /nfs/dbraw/zinc/60/08/99/1201600899.db2.gz RGLIZNVEKAXWFB-JTQLQIEISA-N 0 0 332.356 2.304 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ncc4n3CCCC4)C2)cc1 ZINC000869229164 1201969823 /nfs/dbraw/zinc/96/98/23/1201969823.db2.gz SIOJJAAUQWDYEY-CQSZACIVSA-N 0 0 340.427 2.237 10 10 EECERN Nc1ccc(NC(=O)C(=O)NCC[C@H]2OCCc3ccccc32)cc1 ZINC000927923190 1206316993 /nfs/dbraw/zinc/31/69/93/1206316993.db2.gz QKCDLWWUXLJOAX-QGZVFWFLSA-N 0 0 339.395 2.028 10 10 EECERN CC(C)(C)OC(=O)[C@]1(C(=O)NCc2c(O)cccc2F)CCCO1 ZINC000928706672 1206413469 /nfs/dbraw/zinc/41/34/69/1206413469.db2.gz UQTKTSAHLZYJKA-QGZVFWFLSA-N 0 0 339.363 2.038 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000928710379 1206413861 /nfs/dbraw/zinc/41/38/61/1206413861.db2.gz CNWHCFKWDVEPAZ-CYBMUJFWSA-N 0 0 349.406 2.075 10 10 EECERN Oc1ccccc1C[N@H+](C[C@H](O)CCC1(O)CCC1)C[C@H]1CCCO1 ZINC000929973294 1206523652 /nfs/dbraw/zinc/52/36/52/1206523652.db2.gz YEKAGJAXIUEOKC-QZTJIDSGSA-N 0 0 349.471 2.429 10 10 EECERN COc1ccc(N2CCCN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)CC2)cc1 ZINC000779852961 1211604821 /nfs/dbraw/zinc/60/48/21/1211604821.db2.gz CUBWCUOZBUZSKK-KSZLIROESA-N 0 0 330.428 2.159 10 10 EECERN C[C@H](Oc1cccc(CO)c1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000305296024 1216166065 /nfs/dbraw/zinc/16/60/65/1216166065.db2.gz GMWWTYWNYXTGGE-ZDUSSCGKSA-N 0 0 346.402 2.468 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3[nH]c(CO)nc3c2)c1 ZINC001137473158 1248675899 /nfs/dbraw/zinc/67/58/99/1248675899.db2.gz ANEJIMXLRUGORB-SNVBAGLBSA-N 0 0 341.367 2.260 10 10 EECERN CN(C)c1ccc(CN(C)S(=O)(=O)CCOCC2CCC2)cc1 ZINC000826917605 1248121799 /nfs/dbraw/zinc/12/17/99/1248121799.db2.gz DWSMYHRSZNTKBH-UHFFFAOYSA-N 0 0 340.489 2.331 10 10 EECERN OC1CCN(c2ccc(CNCc3cc4n(n3)CCCC4)cc2)CC1 ZINC000850406866 1277216540 /nfs/dbraw/zinc/21/65/40/1277216540.db2.gz XDLPQIZNUDJZSQ-UHFFFAOYSA-N 0 0 340.471 2.470 10 10 EECERN CCOCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851964033 1291933249 /nfs/dbraw/zinc/93/32/49/1291933249.db2.gz USJPEPCTZBDIET-HNNXBMFYSA-N 0 0 335.448 2.390 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3cnn(C)c3)C2)cc1 ZINC000852142027 1292011555 /nfs/dbraw/zinc/01/15/55/1292011555.db2.gz OTUZVEYMRCPEHA-DZGCQCFKSA-N 0 0 343.431 2.068 10 10 EECERN Cc1cc(CC(=O)O[C@H]2CCN(C)C2=O)c(C)n1-c1ccccc1 ZINC000853127565 1292291116 /nfs/dbraw/zinc/29/11/16/1292291116.db2.gz GECQHZNBTDTCLE-KRWDZBQOSA-N 0 0 326.396 2.411 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC3CCC(O)CC3)C2)cc1 ZINC000854295990 1292707371 /nfs/dbraw/zinc/70/73/71/1292707371.db2.gz FYBYRPDYXVDULT-ISXOHVOVSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CC(C)(C)O)C2)cc1 ZINC000854297496 1292709008 /nfs/dbraw/zinc/70/90/08/1292709008.db2.gz OZJWBIHHSRQFDQ-UONOGXRCSA-N 0 0 335.448 2.123 10 10 EECERN CC[C@](C)(CCO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300701 1292710920 /nfs/dbraw/zinc/71/09/20/1292710920.db2.gz YQFVYSUNVDSHHK-KBXCAEBGSA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C[C@H](C)O)C(C)C)C2)cc1 ZINC000854299444 1292711450 /nfs/dbraw/zinc/71/14/50/1292711450.db2.gz JCWXDSVIVYTVDX-GJZGRUSLSA-N 0 0 335.448 2.075 10 10 EECERN COC[C@H]1C[C@@H](O)CN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000855021643 1293037312 /nfs/dbraw/zinc/03/73/12/1293037312.db2.gz WQOJYECPGUHINA-RTBURBONSA-N 0 0 342.439 2.245 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCOCC1 ZINC000856213479 1293447202 /nfs/dbraw/zinc/44/72/02/1293447202.db2.gz NPDCPQBREIOBPB-MRXNPFEDSA-N 0 0 332.444 2.081 10 10 EECERN Cn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)c(Cl)n1 ZINC000856795422 1293634753 /nfs/dbraw/zinc/63/47/53/1293634753.db2.gz FVPMMDISZUBFQG-UHFFFAOYSA-N 0 0 334.851 2.324 10 10 EECERN CN1CCCc2cc(CNS(=O)(=O)[C@H]3COC(C)(C)C3)ccc21 ZINC000858925362 1294264797 /nfs/dbraw/zinc/26/47/97/1294264797.db2.gz CXUOLDPGPFWREI-OAHLLOKOSA-N 0 0 338.473 2.056 10 10 EECERN CC1(C)CCC[C@H]1CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000861776383 1295537024 /nfs/dbraw/zinc/53/70/24/1295537024.db2.gz KUWKQWDZRUHZBV-HNNXBMFYSA-N 0 0 331.460 2.260 10 10 EECERN Cc1cc(C(=O)N[C@H]2COCCC2=O)c(C)n1-c1cccc(C)c1 ZINC000862931971 1296025514 /nfs/dbraw/zinc/02/55/14/1296025514.db2.gz HLQMXNXIMRXFEA-KRWDZBQOSA-N 0 0 326.396 2.490 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1C[C@H]1C1CC1 ZINC000797432919 1304740968 /nfs/dbraw/zinc/74/09/68/1304740968.db2.gz YJRJKHVWTCQOSD-DOTOQJQBSA-N 0 0 347.434 2.385 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)Nc1nccc(N(C)C)n1 ZINC000797641514 1304794743 /nfs/dbraw/zinc/79/47/43/1304794743.db2.gz AZTCXBVAZMZQCT-UHFFFAOYSA-N 0 0 328.420 2.239 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001118111894 1306285718 /nfs/dbraw/zinc/28/57/18/1306285718.db2.gz ZQZNGXYQNXBQED-MUJYYYPQSA-N 0 0 329.444 2.064 10 10 EECERN CC(C)(C)OC(=O)N1CC(C)(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001119056485 1308982290 /nfs/dbraw/zinc/98/22/90/1308982290.db2.gz NXKUXUTUAKHHDF-UHFFFAOYSA-N 0 0 332.400 2.491 10 10 EECERN Cn1ccnc1[C@H](NC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC001123883818 1310748168 /nfs/dbraw/zinc/74/81/68/1310748168.db2.gz JHRNDWGNEUIXET-NSHDSACASA-N 0 0 346.284 2.368 10 10 EECERN O=C(Cn1nc(C(F)F)cc1C1CC1)NCc1cccc(O)c1O ZINC001123977157 1310788134 /nfs/dbraw/zinc/78/81/34/1310788134.db2.gz AWCUDFJNIZRWHY-UHFFFAOYSA-N 0 0 337.326 2.426 10 10 EECERN CN(Cc1nc2ccccc2n1C)C(=O)Cc1ccc(O)c(O)c1 ZINC001292873271 1328536449 /nfs/dbraw/zinc/53/64/49/1328536449.db2.gz XGFVEQCGFBOGAR-UHFFFAOYSA-N 0 0 325.368 2.186 10 10 EECERN COC(C)(C)CS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841568894 1315579847 /nfs/dbraw/zinc/57/98/47/1315579847.db2.gz HYCATOCCLFPNCR-CQSZACIVSA-N 0 0 342.505 2.336 10 10 EECERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841836955 1315620469 /nfs/dbraw/zinc/62/04/69/1315620469.db2.gz BWDMNIAHUDPDMG-LBPRGKRZSA-N 0 0 329.448 2.092 10 10 EECERN Cc1nn(C)c(C)c1CCCNC(=O)NCCc1ccc(N)cc1 ZINC000841867577 1315626328 /nfs/dbraw/zinc/62/63/28/1315626328.db2.gz NSACZRROQKFJMR-UHFFFAOYSA-N 0 0 329.448 2.094 10 10 EECERN C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841985008 1315647121 /nfs/dbraw/zinc/64/71/21/1315647121.db2.gz GTOJLNVTCRKDFW-PRHODGIISA-N 0 0 332.231 2.496 10 10 EECERN CC1CCC(C)(CNC(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842155539 1315669291 /nfs/dbraw/zinc/66/92/91/1315669291.db2.gz CZWZZYAOKXHCKV-UHFFFAOYSA-N 0 0 331.460 2.260 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cc(F)cc2n[nH]nc21 ZINC001142728355 1315718086 /nfs/dbraw/zinc/71/80/86/1315718086.db2.gz RVEOJOCZRIZFQH-UHFFFAOYSA-N 0 0 337.314 2.281 10 10 EECERN COC[C@@]1(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000842875563 1315789134 /nfs/dbraw/zinc/78/91/34/1315789134.db2.gz RTQKLHLUNOHLLF-KXBFYZLASA-N 0 0 349.427 2.118 10 10 EECERN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3[C@H]4CCCO[C@H]43)C2)cc1 ZINC000842876010 1315789703 /nfs/dbraw/zinc/78/97/03/1315789703.db2.gz QESXEHDNQPHLDS-OKDNKWQNSA-N 0 0 331.412 2.490 10 10 EECERN Cn1nccc1[C@@H](NCc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000843433198 1315914957 /nfs/dbraw/zinc/91/49/57/1315914957.db2.gz XDIBVELHCNNTCB-OAHLLOKOSA-N 0 0 335.379 2.437 10 10 EECERN COc1ccc(C(C)=O)cc1CC(=O)NCc1cccc(O)c1O ZINC001153793064 1316884574 /nfs/dbraw/zinc/88/45/74/1316884574.db2.gz YOTRIXBHSSDJIX-UHFFFAOYSA-N 0 0 329.352 2.168 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001156170354 1317904999 /nfs/dbraw/zinc/90/49/99/1317904999.db2.gz LSZVYPWPJQIPGE-MRXNPFEDSA-N 0 0 332.306 2.480 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cnn3cc(C)cnc23)c1 ZINC001294936019 1329765607 /nfs/dbraw/zinc/76/56/07/1329765607.db2.gz BWGJJZSSDLCLFG-NSHDSACASA-N 0 0 326.356 2.243 10 10 EECERN COC(=O)c1ccc(C)c(NC(=O)Cc2ccc(O)c(O)c2)c1O ZINC001296813430 1329922050 /nfs/dbraw/zinc/92/20/50/1329922050.db2.gz IUYCNIMDWOFRRE-UHFFFAOYSA-N 0 0 331.324 2.080 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NN2CCOC2=O)c1 ZINC001300866234 1331282513 /nfs/dbraw/zinc/28/25/13/1331282513.db2.gz GCWROENIKJIARG-UHFFFAOYSA-N 0 0 327.340 2.004 10 10 EECERN COc1cccc(C(=O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001302935508 1331339773 /nfs/dbraw/zinc/33/97/73/1331339773.db2.gz AGDRCMALJQFTDP-UHFFFAOYSA-N 0 0 340.339 2.470 10 10 EECERN CC(C)(C)OC(=O)NCC1(C(=O)NCc2cc(O)ccc2O)CC1 ZINC001303225544 1331350574 /nfs/dbraw/zinc/35/05/74/1331350574.db2.gz LKTXBWGBPOIHAF-UHFFFAOYSA-N 0 0 336.388 2.019 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3nc(C)ns3)CC2)cc1 ZINC001321235115 1333051394 /nfs/dbraw/zinc/05/13/94/1333051394.db2.gz FVJIBONZKUIXAO-UHFFFAOYSA-N 0 0 332.429 2.208 10 10 EECERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001322541524 1333279018 /nfs/dbraw/zinc/27/90/18/1333279018.db2.gz WGZGNZCIUFJMGP-NVXWUHKLSA-N 0 0 343.471 2.311 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2C[C@@H]2C)cc1 ZINC001323332814 1333443209 /nfs/dbraw/zinc/44/32/09/1333443209.db2.gz OXCTXRYHBLUXNV-HOCLYGCPSA-N 0 0 331.460 2.263 10 10 EECERN C[C@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC001323501292 1333477634 /nfs/dbraw/zinc/47/76/34/1333477634.db2.gz LIIBFHLDKOJMSI-DVOMOZLQSA-N 0 0 335.423 2.136 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001324135443 1333616186 /nfs/dbraw/zinc/61/61/86/1333616186.db2.gz CSHXSTVEMYYVOO-FVQHAEBGSA-N 0 0 329.444 2.016 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC001325847282 1333973847 /nfs/dbraw/zinc/97/38/47/1333973847.db2.gz SJKRLOCGNREVEZ-BCDXTJNWSA-N 0 0 343.471 2.406 10 10 EECERN Cn1nnc2ccc(C(=O)Nc3c4nonc4ccc3Cl)cc21 ZINC001327166103 1334239028 /nfs/dbraw/zinc/23/90/28/1334239028.db2.gz FYRFTBRRTMHPKQ-UHFFFAOYSA-N 0 0 328.719 2.410 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@](C)(CO)C3)C2)cc1 ZINC001327761618 1334343419 /nfs/dbraw/zinc/34/34/19/1334343419.db2.gz NWXIVYQGZHJCOT-DNVCBOLYSA-N 0 0 347.459 2.078 10 10 EECERN CN1CCCc2cc(CNC(=O)[C@H]3CNC(=O)c4ccccc43)ccc21 ZINC001328740338 1334512328 /nfs/dbraw/zinc/51/23/28/1334512328.db2.gz JKKOKKOEZCORRF-SFHVURJKSA-N 0 0 349.434 2.212 10 10 EECERN CSC[C@@H](CCO)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001332061824 1335716620 /nfs/dbraw/zinc/71/66/20/1335716620.db2.gz TZDPXHNSDPETFR-SECBINFHSA-N 0 0 327.427 2.156 10 10 EECERN CNC(=O)[C@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001339071670 1336954231 /nfs/dbraw/zinc/95/42/31/1336954231.db2.gz XOQLPDDSHCODCM-SNVBAGLBSA-N 0 0 334.397 2.053 10 10 EECERN C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cncs1 ZINC001354674350 1338578802 /nfs/dbraw/zinc/57/88/02/1338578802.db2.gz HSXFMSDTSZNMKX-RYUDHWBXSA-N 0 0 346.456 2.264 10 10 EECERN COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC(C)C)C2)cc1 ZINC000849416541 1339156391 /nfs/dbraw/zinc/15/63/91/1339156391.db2.gz SCJJHTMNGMEBMR-CQSZACIVSA-N 0 0 326.462 2.239 10 10 EECERN COC(=O)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)CC1CCCC1 ZINC001611688184 1352303510 /nfs/dbraw/zinc/30/35/10/1352303510.db2.gz RRYCQYNJJMOLJC-LLVKDONJSA-N 0 0 339.363 2.336 10 10 EECERN COC(=O)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)cc1 ZINC001565666350 1342559572 /nfs/dbraw/zinc/55/95/72/1342559572.db2.gz PEIRLTSVOYDNDO-HNNXBMFYSA-N 0 0 343.379 2.022 10 10 EECERN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC001595751538 1349894071 /nfs/dbraw/zinc/89/40/71/1349894071.db2.gz JZAQTFNHBGXEEB-UHFFFAOYSA-N 0 0 345.424 2.335 10 10 EECERN COc1cc(C(=O)NCc2ccc(O)cc2O)c([N+](=O)[O-])cc1F ZINC001626838330 1352474961 /nfs/dbraw/zinc/47/49/61/1352474961.db2.gz WYIYFEKXJLSBDK-UHFFFAOYSA-N 0 0 336.275 2.084 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC001627018942 1352480446 /nfs/dbraw/zinc/48/04/46/1352480446.db2.gz UCRLSHMNYMBWEA-UHFFFAOYSA-N 0 0 348.742 2.263 10 10 EECERN CN(C[C@](C)(O)c1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001630491009 1352569809 /nfs/dbraw/zinc/56/98/09/1352569809.db2.gz RTDOKHQADDJRFU-JQYPEGPJSA-N 0 0 327.380 2.477 10 10 EECERN COc1cccc(CNC(=O)CN2Cc3ccccc3OC2=O)c1O ZINC001636061496 1352657427 /nfs/dbraw/zinc/65/74/27/1352657427.db2.gz OZOJDTQOFCFVQG-UHFFFAOYSA-N 0 0 342.351 2.032 10 10 EECERN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1c(F)ccc(O)c1O ZINC001638021824 1352684098 /nfs/dbraw/zinc/68/40/98/1352684098.db2.gz CBAKBYUASZMGGF-UHFFFAOYSA-N 0 0 343.314 2.158 10 10 EECERN Cc1cnc2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)ccn12 ZINC001638348096 1352687718 /nfs/dbraw/zinc/68/77/18/1352687718.db2.gz OMPZXGQRSNJYAA-NSHDSACASA-N 0 0 325.368 2.415 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cc2c([nH]c1=O)CCC2 ZINC001638570171 1352689785 /nfs/dbraw/zinc/68/97/85/1352689785.db2.gz VCZUKMNNXCGEPW-UHFFFAOYSA-N 0 0 335.363 2.460 10 10 EECERN CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](Cc2ccccc2)C1 ZINC001639822930 1352702111 /nfs/dbraw/zinc/70/21/11/1352702111.db2.gz QUYCZAHOPNUJIK-QGZVFWFLSA-N 0 0 340.423 2.026 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H](O)c1cccnc1 ZINC001641972325 1352727433 /nfs/dbraw/zinc/72/74/33/1352727433.db2.gz SGCBCPDXSFDLNS-KRWDZBQOSA-N 0 0 345.362 2.463 10 10 EECERN CCn1ncnc1-c1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001645363176 1352777374 /nfs/dbraw/zinc/77/73/74/1352777374.db2.gz PEUILWCENZBGIN-UHFFFAOYSA-N 0 0 338.367 2.306 10 10 EECERN COC(=O)c1ncnc(NCc2ccc3cccnc3c2O)c1OC ZINC001651961977 1354071483 /nfs/dbraw/zinc/07/14/83/1354071483.db2.gz RRAASYSSHCUYPJ-UHFFFAOYSA-N 0 0 340.339 2.138 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N(C[C@H]1CCC(=O)N1)C(C)C ZINC000840300370 782513828 /nfs/dbraw/zinc/51/38/28/782513828.db2.gz DJGYYPJNPBDYIL-MRXNPFEDSA-N 0 0 346.475 2.260 10 10 EECERN CC(=O)NCc1ccc(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000921276191 773252007 /nfs/dbraw/zinc/25/20/07/773252007.db2.gz LKFKLXIFRIOMRS-UHFFFAOYSA-N 0 0 331.441 2.380 10 10 EECERN O=S1(=O)CCC(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816558903 784129149 /nfs/dbraw/zinc/12/91/49/784129149.db2.gz PQLPAGPDCUFEHC-UHFFFAOYSA-N 0 0 335.828 2.489 10 10 EECERN COC(=O)c1nc(C(=O)NCc2c(O)ccc3c2CCCC3)cs1 ZINC000907061482 784358545 /nfs/dbraw/zinc/35/85/45/784358545.db2.gz WNBPVNBEEYPBEA-UHFFFAOYSA-N 0 0 346.408 2.444 10 10 EECERN COc1cccc(CNC(=O)c2[nH]nc(C)c2C(F)(F)F)c1O ZINC000907061677 784360368 /nfs/dbraw/zinc/36/03/68/784360368.db2.gz WZVBKSOTSXTKIS-UHFFFAOYSA-N 0 0 329.278 2.381 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCc2cn3c(n2)CCCC3)cc1 ZINC001136114278 785189494 /nfs/dbraw/zinc/18/94/94/785189494.db2.gz YYRBVLDJFXSXOT-UHFFFAOYSA-N 0 0 340.387 2.354 10 10 EECERN O=C(/C=C/[C@@H]1CCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000819300376 785491532 /nfs/dbraw/zinc/49/15/32/785491532.db2.gz ASVUYGWGAZQRKN-UCFODXPJSA-N 0 0 344.455 2.247 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@H]1OC ZINC000819698777 785646506 /nfs/dbraw/zinc/64/65/06/785646506.db2.gz RVALNPWAMCQUEV-NVXWUHKLSA-N 0 0 349.427 2.489 10 10 EECERN CO[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000819973703 785726481 /nfs/dbraw/zinc/72/64/81/785726481.db2.gz BBHZDVJBOHNZAB-SJLPKXTDSA-N 0 0 332.444 2.297 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccncc3F)C2)cc1 ZINC000822276748 787106828 /nfs/dbraw/zinc/10/68/28/787106828.db2.gz IFUUPIURWDQKRK-GFCCVEGCSA-N 0 0 330.363 2.052 10 10 EECERN CC1(C)Cc2ccc(C(=O)NCc3ccc(O)cc3O)c(O)c2O1 ZINC000910949351 787130729 /nfs/dbraw/zinc/13/07/29/787130729.db2.gz JWLWJESIYDUHTA-UHFFFAOYSA-N 0 0 329.352 2.447 10 10 EECERN COc1ccc(N2CCCN(C(=O)C(C)(C)n3cccn3)CC2)cc1 ZINC000822918851 787460049 /nfs/dbraw/zinc/46/00/49/787460049.db2.gz FSKAXPQJWXKJHT-UHFFFAOYSA-N 0 0 342.443 2.366 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3c(C)cnn3C)CC2)cc1 ZINC000824379613 788153862 /nfs/dbraw/zinc/15/38/62/788153862.db2.gz JJHJKHFLMOQAQI-UHFFFAOYSA-N 0 0 329.404 2.091 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C(C)(C)OC)C2)cc1 ZINC000923185762 789079282 /nfs/dbraw/zinc/07/92/82/789079282.db2.gz PZARFYQXSQNBCK-UONOGXRCSA-N 0 0 335.448 2.387 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001176755204 798570869 /nfs/dbraw/zinc/57/08/69/798570869.db2.gz NHOJMBFWXPCQKA-OAHLLOKOSA-N 0 0 348.305 2.185 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CCO[C@H](c2ccccc2)O1 ZINC001178912485 799697321 /nfs/dbraw/zinc/69/73/21/799697321.db2.gz USIIJHOMVVOSMA-AEFFLSMTSA-N 0 0 329.352 2.218 10 10 EECERN Cn1nc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1C(F)(F)F ZINC001180276711 800354376 /nfs/dbraw/zinc/35/43/76/800354376.db2.gz JHAQCFQOFWAACJ-HWKANZROSA-N 0 0 341.289 2.180 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000922431289 801040485 /nfs/dbraw/zinc/04/04/85/801040485.db2.gz HPYPDHONNXISSS-VFZGTOFNSA-N 0 0 346.408 2.053 10 10 EECERN COc1ccc(N2CCC(NC(=O)NCC3(CCO)CC3)CC2)cc1 ZINC000186799179 802828745 /nfs/dbraw/zinc/82/87/45/802828745.db2.gz IAXZCSSNISTMNQ-UHFFFAOYSA-N 0 0 347.459 2.126 10 10 EECERN COC(=O)C[C@@](C)(NC(=O)c1cccc(O)c1O)c1cccc(F)c1 ZINC000789891524 808232218 /nfs/dbraw/zinc/23/22/18/808232218.db2.gz ZCLOEQYFPLXNPY-GOSISDBHSA-N 0 0 347.342 2.445 10 10 EECERN COc1nn(C)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000789866735 808252190 /nfs/dbraw/zinc/25/21/90/808252190.db2.gz RZIHISAFCOLBSR-UHFFFAOYSA-N 0 0 325.372 2.484 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000793445501 810337408 /nfs/dbraw/zinc/33/74/08/810337408.db2.gz BUPRWUCBBVKMTE-PIIMJCKOSA-N 0 0 329.444 2.463 10 10 EECERN Cc1cc(C(=O)NCc2cnn(C)n2)c(C)n1-c1ccc(F)cc1 ZINC000805213798 811196820 /nfs/dbraw/zinc/19/68/20/811196820.db2.gz UZNQXSURKNRVMV-UHFFFAOYSA-N 0 0 327.363 2.292 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000808531668 812703308 /nfs/dbraw/zinc/70/33/08/812703308.db2.gz WDZJCDJOUWZFGV-UHFFFAOYSA-N 0 0 339.347 2.278 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](C)[C@H]3OCC)CC2)cc1 ZINC001566562641 1125737069 /nfs/dbraw/zinc/73/70/69/1125737069.db2.gz MSEXJKLBJIMIRD-ZTFGCOKTSA-N 0 0 332.444 2.405 10 10 EECERN COc1ccc(CNC(=O)c2cn(-c3ccccc3C)nn2)c(O)c1 ZINC001448375304 1104480722 /nfs/dbraw/zinc/48/07/22/1104480722.db2.gz RBERFDCAWLKDJM-UHFFFAOYSA-N 0 0 338.367 2.220 10 10 EECERN Cn1c(CC(=O)N2Cc3cccc(O)c3C2)nnc1-c1ccccc1 ZINC001455037358 1108130032 /nfs/dbraw/zinc/13/00/32/1108130032.db2.gz QFOWAJKJRYTEFS-UHFFFAOYSA-N 0 0 334.379 2.273 10 10 EECERN CCOC(=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001465269912 1110414573 /nfs/dbraw/zinc/41/45/73/1110414573.db2.gz ZHGYVSDWQLICCL-UHFFFAOYSA-N 0 0 332.360 2.312 10 10 EECERN O=C(C1=CC(=O)CS1)N1CCc2c(nnn2-c2ccccc2)C1 ZINC001468318794 1110472437 /nfs/dbraw/zinc/47/24/37/1110472437.db2.gz VHOJRMZYIBHKHN-UHFFFAOYSA-N 0 0 326.381 2.233 10 10 EECERN COC(=O)c1ncoc1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001471487923 1110523456 /nfs/dbraw/zinc/52/34/56/1110523456.db2.gz QOCCKPVFBLFVML-UHFFFAOYSA-N 0 0 348.336 2.017 10 10 EECERN COc1ccc(Cl)cc1NCC(=O)NCc1cc(O)ccc1O ZINC001471661330 1110527790 /nfs/dbraw/zinc/52/77/90/1110527790.db2.gz NLJFMCDXAGJGNU-UHFFFAOYSA-N 0 0 336.775 2.488 10 10 EECERN O=C(NCCc1cnc2c(Cl)cnn2c1)NCc1ccccc1O ZINC001478696553 1110656579 /nfs/dbraw/zinc/65/65/79/1110656579.db2.gz IVGRYTKAHWFZOK-UHFFFAOYSA-N 0 0 345.790 2.130 10 10 EECERN CN(CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)C(C)(C)C ZINC001523495589 1119802846 /nfs/dbraw/zinc/80/28/46/1119802846.db2.gz RQRUEQKXJOHXSO-UHFFFAOYSA-N 0 0 347.419 2.473 10 10 EECERN COc1ccc(N2CCN(C(=O)C3(C(C)C)COC3)CC2)cc1F ZINC001545607826 1124198749 /nfs/dbraw/zinc/19/87/49/1124198749.db2.gz AJMBNERWJUMTQJ-UHFFFAOYSA-N 0 0 336.407 2.156 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ncsc1Br ZINC001545636902 1124200321 /nfs/dbraw/zinc/20/03/21/1124200321.db2.gz IGKQARMGZYZVIO-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN CO[C@H](C)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000188845291 533108693 /nfs/dbraw/zinc/10/86/93/533108693.db2.gz HWQUCKMDBLVHFH-LSDHHAIUSA-N 0 0 335.448 2.088 10 10 EECERN COc1ccc2c(c1)CCCN2Cc1cc(=O)n2nc(C)sc2n1 ZINC000052325479 132183218 /nfs/dbraw/zinc/18/32/18/132183218.db2.gz ZLSYFSJJMRZZQQ-UHFFFAOYSA-N 0 0 342.424 2.421 10 10 EECERN C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000062223760 462611533 /nfs/dbraw/zinc/61/15/33/462611533.db2.gz MXCSXCDUIARADW-MAUKXSAKSA-N 0 0 343.471 2.455 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@H]2CCCN2c2nccs2)c1 ZINC000155951968 462962794 /nfs/dbraw/zinc/96/27/94/462962794.db2.gz SARZFUWVIXWKAM-CYBMUJFWSA-N 0 0 333.413 2.143 10 10 EECERN CCSc1cncc(NCc2ccc(N3CCNC(=O)C3)cc2)n1 ZINC000095392613 463072575 /nfs/dbraw/zinc/07/25/75/463072575.db2.gz SZRILBXFIICZKN-UHFFFAOYSA-N 0 0 343.456 2.137 10 10 EECERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000135961163 463209190 /nfs/dbraw/zinc/20/91/90/463209190.db2.gz WIMAELSCABDGBB-FTULFMDFSA-N 0 0 342.439 2.051 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000069476313 463254516 /nfs/dbraw/zinc/25/45/16/463254516.db2.gz YWKNDLPUCYEJSV-MRXNPFEDSA-N 0 0 339.395 2.339 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000040474049 463457163 /nfs/dbraw/zinc/45/71/63/463457163.db2.gz HSFOIOOZODLAFZ-AWEZNQCLSA-N 0 0 332.425 2.011 10 10 EECERN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(N)cc3)CC(=O)N2C)cc1 ZINC000237380074 464310553 /nfs/dbraw/zinc/31/05/53/464310553.db2.gz ZHXKFHCYBSQHIQ-WMZOPIPTSA-N 0 0 339.395 2.436 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@@]3(C)CCC(=O)NC3)cc2)CC1 ZINC000281250794 464386365 /nfs/dbraw/zinc/38/63/65/464386365.db2.gz MNMIBJZGRSCDNR-FQEVSTJZSA-N 0 0 343.471 2.455 10 10 EECERN Cc1[nH]nc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C ZINC000265616387 464620498 /nfs/dbraw/zinc/62/04/98/464620498.db2.gz PHJKEMVWFQMTHJ-UHFFFAOYSA-N 0 0 342.443 2.165 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3CC(NC(C)=O)C3)c2C)cc1 ZINC000190499508 464660803 /nfs/dbraw/zinc/66/08/03/464660803.db2.gz LACSQKHYJNYDEU-UHFFFAOYSA-N 0 0 341.411 2.063 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000273611024 464723292 /nfs/dbraw/zinc/72/32/92/464723292.db2.gz VVMIMJOJRGVMDT-CJNGLKHVSA-N 0 0 329.396 2.433 10 10 EECERN Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c(O)c1O ZINC000182885328 464749158 /nfs/dbraw/zinc/74/91/58/464749158.db2.gz IWDFQOGGRCXZNQ-DOMZBBRYSA-N 0 0 344.411 2.022 10 10 EECERN CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCN1CC(F)F ZINC000182959902 464765664 /nfs/dbraw/zinc/76/56/64/464765664.db2.gz CPRZWWRWLOZFBN-LLVKDONJSA-N 0 0 328.359 2.208 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CC2CC2)cc1F ZINC000286368280 464893824 /nfs/dbraw/zinc/89/38/24/464893824.db2.gz JSOANVCNLBHZRS-UHFFFAOYSA-N 0 0 335.423 2.157 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC([C@H]4CCCO4)CC3)cc2N1 ZINC000302554008 466152589 /nfs/dbraw/zinc/15/25/89/466152589.db2.gz KQMABYCCQLDLJJ-OAHLLOKOSA-N 0 0 347.371 2.321 10 10 EECERN Cn1cc(-c2nn(C)cc2C(=O)N2CCc3cc(F)c(F)cc32)cn1 ZINC000436109545 467514976 /nfs/dbraw/zinc/51/49/76/467514976.db2.gz YNXJGOPVDIRSGU-UHFFFAOYSA-N 0 0 343.337 2.302 10 10 EECERN O=C(NC1CCCCC1)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732267879 577162485 /nfs/dbraw/zinc/16/24/85/577162485.db2.gz AGSVQTJCYVDCBF-UHFFFAOYSA-N 0 0 337.445 2.254 10 10 EECERN COCc1cc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)ncn1 ZINC000772385900 577268512 /nfs/dbraw/zinc/26/85/12/577268512.db2.gz VZEOMBQWAPUAJE-SNVBAGLBSA-N 0 0 332.360 2.220 10 10 EECERN COc1ccc(O)c(CNC(=O)CCc2ccc3c(c2)OCCO3)c1 ZINC000734016797 577272474 /nfs/dbraw/zinc/27/24/74/577272474.db2.gz HGEZPDXJIXESKI-UHFFFAOYSA-N 0 0 343.379 2.421 10 10 EECERN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H](C)CC(C)C)cc2=O ZINC000765532644 577502762 /nfs/dbraw/zinc/50/27/62/577502762.db2.gz WCLVKFUFVGGHCE-NSHDSACASA-N 0 0 349.387 2.337 10 10 EECERN O=C1N[C@]2(CCSC2)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000761094595 577676454 /nfs/dbraw/zinc/67/64/54/577676454.db2.gz XUGSXNWNGNMLQO-KRWDZBQOSA-N 0 0 331.441 2.214 10 10 EECERN Cc1nsc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000763257627 577718047 /nfs/dbraw/zinc/71/80/47/577718047.db2.gz PKGWGCVPQYUNNG-ZDUSSCGKSA-N 0 0 333.413 2.374 10 10 EECERN C[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cn[nH]c1 ZINC000757015535 577854958 /nfs/dbraw/zinc/85/49/58/577854958.db2.gz JINSKZINFASTCO-KBPBESRZSA-N 0 0 343.431 2.368 10 10 EECERN CCN(C)S(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000746051049 577921728 /nfs/dbraw/zinc/92/17/28/577921728.db2.gz KUUVENLUHSCYMM-UHFFFAOYSA-N 0 0 335.473 2.423 10 10 EECERN CC(C)(C)OC(=O)[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 ZINC000747465528 577944868 /nfs/dbraw/zinc/94/48/68/577944868.db2.gz GEBFMXLRJNBCLJ-QGZVFWFLSA-N 0 0 333.428 2.423 10 10 EECERN C[C@H](C(=O)NCc1cc(Br)ccc1O)c1cncnc1 ZINC000804736887 675610953 /nfs/dbraw/zinc/61/09/53/675610953.db2.gz CTOYWQHPXPSIDF-VIFPVBQESA-N 0 0 336.189 2.365 10 10 EECERN COc1ccc(N2CCCN(Cc3nsc(N(C)C)n3)CC2)cc1 ZINC000178919525 679159779 /nfs/dbraw/zinc/15/97/79/679159779.db2.gz BWKVLWUDHURCLS-UHFFFAOYSA-N 0 0 347.488 2.325 10 10 EECERN CC(C)COC[C@@H](O)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896818167 685289409 /nfs/dbraw/zinc/28/94/09/685289409.db2.gz GWHGQFGZQOSYPD-NSHDSACASA-N 0 0 339.413 2.076 10 10 EECERN COC(=O)c1c(CN2CCO[C@H](CF)C2)c2cc(F)ccc2n1C ZINC000894987440 683457634 /nfs/dbraw/zinc/45/76/34/683457634.db2.gz QWGDCGXZCVBQPH-GFCCVEGCSA-N 0 0 338.354 2.274 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)C3(C4CC4)CC3)CC2)cc1 ZINC000896331387 684945990 /nfs/dbraw/zinc/94/59/90/684945990.db2.gz SWOVUCYXGLEVII-UHFFFAOYSA-N 0 0 343.471 2.124 10 10 EECERN O=C([C@@H]1CSC(=O)N1)N(Cc1ccco1)Cc1ccccc1O ZINC000124385650 685715596 /nfs/dbraw/zinc/71/55/96/685715596.db2.gz DVJUWAKVXYXKQZ-ZDUSSCGKSA-N 0 0 332.381 2.339 10 10 EECERN COc1ccc(CNC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)cc1C ZINC000263535229 690075654 /nfs/dbraw/zinc/07/56/54/690075654.db2.gz YVVMEXAJLFQGDY-UHFFFAOYSA-N 0 0 332.444 2.421 10 10 EECERN COc1ccc(CNC(=O)NC[C@]23C[C@H]2COC32CCC2)c(O)c1 ZINC000898679947 693419738 /nfs/dbraw/zinc/41/97/38/693419738.db2.gz CQIKPAPVORCPQW-SUMWQHHRSA-N 0 0 332.400 2.159 10 10 EECERN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](O)C(F)(F)F ZINC000899167262 693639832 /nfs/dbraw/zinc/63/98/32/693639832.db2.gz DMIRTPPMOZFMRQ-BLTYZCFWSA-N 0 0 335.303 2.354 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc(F)ccc1-n1cccn1 ZINC001142533002 1188237901 /nfs/dbraw/zinc/23/79/01/1188237901.db2.gz BXZPUQICRUOSKQ-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN COc1cc(-c2noc(COc3ccc(N(C)C)cc3)n2)ncn1 ZINC000842043322 1188242198 /nfs/dbraw/zinc/24/21/98/1188242198.db2.gz JAEOEWSRCRFJQA-UHFFFAOYSA-N 0 0 327.344 2.180 10 10 EECERN COc1c(O)c(CN2CCO[C@@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000872257749 1198115506 /nfs/dbraw/zinc/11/55/06/1198115506.db2.gz VWCXJNFASXGOSJ-LLVKDONJSA-N 0 0 332.303 2.165 10 10 EECERN CO[C@@H]1CN2C(=O)N(Cc3ccc(N4CCCC4)cc3)C(=O)[C@]2(C)C1 ZINC000865298167 1198157151 /nfs/dbraw/zinc/15/71/51/1198157151.db2.gz CIIFTEQIVNGDHN-LPHOPBHVSA-N 0 0 343.427 2.228 10 10 EECERN C[C@H](NC(=O)c1nnc(C2CC2)o1)c1ccc(N2CCOCC2)cc1 ZINC000865916370 1198424273 /nfs/dbraw/zinc/42/42/73/1198424273.db2.gz ZLIPTBLFPUNXLI-LBPRGKRZSA-N 0 0 342.399 2.275 10 10 EECERN Cc1cn(C)nc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000826024214 1200279786 /nfs/dbraw/zinc/27/97/86/1200279786.db2.gz VSUIYTSWCCWQQV-UHFFFAOYSA-N 0 0 343.431 2.011 10 10 EECERN COc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3O)CCO2)cc1 ZINC000870101355 1200468951 /nfs/dbraw/zinc/46/89/51/1200468951.db2.gz NCOUDNZBVORVCA-INIZCTEOSA-N 0 0 329.352 2.320 10 10 EECERN COc1ccc2c(c1)OC[C@@H](C(=O)N1Cc3cccc(O)c3C1)C2 ZINC000871201609 1201098027 /nfs/dbraw/zinc/09/80/27/1201098027.db2.gz XKUAXDCZZZFMDU-AWEZNQCLSA-N 0 0 325.364 2.494 10 10 EECERN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202913 1201098080 /nfs/dbraw/zinc/09/80/80/1201098080.db2.gz OXXUCERPRHQKAB-GUYCJALGSA-N 0 0 345.443 2.455 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)[C@@]12CCCO2 ZINC000868500606 1201823080 /nfs/dbraw/zinc/82/30/80/1201823080.db2.gz UOZDUZMXVFNVKY-UOQGXUADSA-N 0 0 334.416 2.479 10 10 EECERN COC(=O)N1CCC(CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868601892 1201844010 /nfs/dbraw/zinc/84/40/10/1201844010.db2.gz IQQYVJCZQBNQLA-LBPRGKRZSA-N 0 0 335.404 2.231 10 10 EECERN C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NCc3c(O)cccc3F)O2)CO1 ZINC000924051756 1205932198 /nfs/dbraw/zinc/93/21/98/1205932198.db2.gz MLKOOMDBXTXRNO-PEBVRCNWSA-N 0 0 338.379 2.057 10 10 EECERN COc1nnc(CN2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000929315506 1206464600 /nfs/dbraw/zinc/46/46/00/1206464600.db2.gz LBEXEIWYKQNPJO-UHFFFAOYSA-N 0 0 334.445 2.268 10 10 EECERN CO[C@H](C)c1nsc(NC(=O)NCc2c(O)cccc2F)n1 ZINC000931470910 1207389968 /nfs/dbraw/zinc/38/99/68/1207389968.db2.gz GHAMPLGOVPHMHA-SSDOTTSWSA-N 0 0 326.353 2.412 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188753037 1208811745 /nfs/dbraw/zinc/81/17/45/1208811745.db2.gz YXOTWYGBHUAKTK-OAHLLOKOSA-N 0 0 347.484 2.294 10 10 EECERN O=S(=O)(CCC1CC1)NCc1cc(Br)ccc1O ZINC000796190938 1215505361 /nfs/dbraw/zinc/50/53/61/1215505361.db2.gz GVDFTPVVFMCUKD-UHFFFAOYSA-N 0 0 334.235 2.374 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)C(=O)NCCF)c1 ZINC000800292715 1234019022 /nfs/dbraw/zinc/01/90/22/1234019022.db2.gz UGMXMEQQVGIBTF-SECBINFHSA-N 0 0 333.201 2.027 10 10 EECERN COc1ccc(N(CC(C)C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801522440 1235771919 /nfs/dbraw/zinc/77/19/19/1235771919.db2.gz SBLHEZNOFJTQNG-HNNXBMFYSA-N 0 0 340.489 2.439 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C\c2cnn(CCF)c2)c2ccccc21 ZINC000901487069 1235867642 /nfs/dbraw/zinc/86/76/42/1235867642.db2.gz ZLCIDUPLHOTCKL-DHDCSXOGSA-N 0 0 343.358 2.303 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)c1 ZINC000903346585 1240283680 /nfs/dbraw/zinc/28/36/80/1240283680.db2.gz HZEDPKJALVPQDC-ZDUSSCGKSA-N 0 0 349.427 2.151 10 10 EECERN CCO[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000852014116 1291953864 /nfs/dbraw/zinc/95/38/64/1291953864.db2.gz ZLQBHPWUHPDKGC-QGPMSJSTSA-N 0 0 347.459 2.451 10 10 EECERN CC[C@]1(C)CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852451250 1292117600 /nfs/dbraw/zinc/11/76/00/1292117600.db2.gz GLLWDBQVSLPKAM-HNAYVOBHSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000854296847 1292708110 /nfs/dbraw/zinc/70/81/10/1292708110.db2.gz HCSFJTCHQWCKGC-HDMKZQKVSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H](CO)CC(C)C)C2)cc1 ZINC000854299840 1292710964 /nfs/dbraw/zinc/71/09/64/1292710964.db2.gz SDSZFKBGPLOTRN-WBVHZDCISA-N 0 0 349.475 2.322 10 10 EECERN Cc1cc(CC(=O)NCC2(CC(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000854963590 1293003512 /nfs/dbraw/zinc/00/35/12/1293003512.db2.gz BATDBEBVACTFQV-UHFFFAOYSA-N 0 0 339.439 2.408 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC000855223600 1293116768 /nfs/dbraw/zinc/11/67/68/1293116768.db2.gz BDRBYQIUQFUKKQ-ZDUSSCGKSA-N 0 0 342.395 2.424 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3ccc(=O)[nH]c3)C2)cc1 ZINC000855226870 1293118802 /nfs/dbraw/zinc/11/88/02/1293118802.db2.gz TXQOCGXYPDJQFD-HNNXBMFYSA-N 0 0 341.411 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc4ccccn43)C2)cc1 ZINC000855234412 1293123310 /nfs/dbraw/zinc/12/33/10/1293123310.db2.gz ZGGFHWDFFXZKOP-CQSZACIVSA-N 0 0 336.395 2.352 10 10 EECERN CC[C@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 ZINC000855881019 1293353099 /nfs/dbraw/zinc/35/30/99/1293353099.db2.gz ULMLJPVGUZWVIB-HNNXBMFYSA-N 0 0 326.418 2.072 10 10 EECERN C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCO1 ZINC000856209266 1293444374 /nfs/dbraw/zinc/44/43/74/1293444374.db2.gz JIVGTWVKTJUXSV-DNVCBOLYSA-N 0 0 346.471 2.469 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCc2nccn2CC(F)(F)F)c1 ZINC000858196081 1294041966 /nfs/dbraw/zinc/04/19/66/1294041966.db2.gz IKIKCMUNQJRCQM-UHFFFAOYSA-N 0 0 342.321 2.459 10 10 EECERN Cc1ccc(O)c(CNC(=O)C(=O)Nc2ccnn2C2CCCC2)c1 ZINC000862025392 1295660342 /nfs/dbraw/zinc/66/03/42/1295660342.db2.gz LWCBSCNORHWKSP-UHFFFAOYSA-N 0 0 342.399 2.267 10 10 EECERN Cc1cc(C(=O)N[C@@H]2COCCC2=O)c(C)n1-c1cccc(C)c1 ZINC000862931972 1296025769 /nfs/dbraw/zinc/02/57/69/1296025769.db2.gz HLQMXNXIMRXFEA-QGZVFWFLSA-N 0 0 326.396 2.490 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC[C@H]2CC=CCC2)c1 ZINC000862949409 1296038564 /nfs/dbraw/zinc/03/85/64/1296038564.db2.gz ZKLSMBCWGYUNKN-LBPRGKRZSA-N 0 0 338.429 2.240 10 10 EECERN CN(C)c1ccc(CN(C(=O)C(=O)N2CC3CC2(C)C3)C2CC2)cc1 ZINC001118524447 1308874338 /nfs/dbraw/zinc/87/43/38/1308874338.db2.gz MVQZAHCJNAIZCI-UHFFFAOYSA-N 0 0 341.455 2.255 10 10 EECERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001118531748 1308877678 /nfs/dbraw/zinc/87/76/78/1308877678.db2.gz JYDFAYRDCRHFOL-IYBDPMFKSA-N 0 0 345.443 2.162 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC001119695584 1309162338 /nfs/dbraw/zinc/16/23/38/1309162338.db2.gz PBWKDJOIAINQOT-ABAIWWIYSA-N 0 0 339.486 2.048 10 10 EECERN CCc1nc2c(nccc2C(=O)NCc2ccc(OC)cc2O)[nH]1 ZINC001139032685 1314691794 /nfs/dbraw/zinc/69/17/94/1314691794.db2.gz NXWQPIUOZZGMNP-UHFFFAOYSA-N 0 0 326.356 2.165 10 10 EECERN CC(C)[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1CCC(=O)N1 ZINC000840975351 1315450444 /nfs/dbraw/zinc/45/04/44/1315450444.db2.gz GDJYTWVIHZBWCS-LBPRGKRZSA-N 0 0 341.795 2.443 10 10 EECERN C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000843039672 1315826142 /nfs/dbraw/zinc/82/61/42/1315826142.db2.gz DOOUNFRXCHHAAZ-ZFWWWQNUSA-N 0 0 336.407 2.205 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)n1 ZINC001150487954 1316278566 /nfs/dbraw/zinc/27/85/66/1316278566.db2.gz LTLWFLRDUALGLL-UHFFFAOYSA-N 0 0 326.274 2.484 10 10 EECERN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001293870469 1328830933 /nfs/dbraw/zinc/83/09/33/1328830933.db2.gz OGNPOERYNWFKFH-IEBWSBKVSA-N 0 0 327.380 2.495 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCc1nc(C(F)(F)F)cs1 ZINC001294037387 1328864110 /nfs/dbraw/zinc/86/41/10/1328864110.db2.gz VTJCYCVRZGTZCK-UHFFFAOYSA-N 0 0 346.330 2.475 10 10 EECERN CC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc1 ZINC001203268779 1321854364 /nfs/dbraw/zinc/85/43/64/1321854364.db2.gz UCBBUWXBAKHODU-SNVBAGLBSA-N 0 0 329.356 2.448 10 10 EECERN O=C(NCc1cccc(O)c1O)C1([C@@H]2CCCCO2)CCOCC1 ZINC001263895829 1322549279 /nfs/dbraw/zinc/54/92/79/1322549279.db2.gz HUPVGMLNPYRYSI-HNNXBMFYSA-N 0 0 335.400 2.080 10 10 EECERN C[C@@H](NC(=O)C1=C[S@](=O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC001292234986 1328372165 /nfs/dbraw/zinc/37/21/65/1328372165.db2.gz BMHGZXLIQZIUEQ-JBEBIEQOSA-N 0 0 348.468 2.127 10 10 EECERN CC(C)(C)c1cc(C(=O)NCc2ccccc2O)nc2ncnn21 ZINC001294925108 1329764556 /nfs/dbraw/zinc/76/45/56/1329764556.db2.gz MKNOOCRXDZZXMC-UHFFFAOYSA-N 0 0 325.372 2.057 10 10 EECERN CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)C=Cc1ccc(O)c(O)c1 ZINC001299921033 1330169042 /nfs/dbraw/zinc/16/90/42/1330169042.db2.gz AUSNTCDNFZYPCI-ALCCZGGFSA-N 0 0 345.355 2.428 10 10 EECERN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1O ZINC001304053628 1331375575 /nfs/dbraw/zinc/37/55/75/1331375575.db2.gz PSOIMQDLHDCUEQ-NSHDSACASA-N 0 0 338.404 2.217 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)NCc2cccc(Cl)c2O)c1 ZINC001305069550 1331408023 /nfs/dbraw/zinc/40/80/23/1331408023.db2.gz JQCOZJPAGQAHQV-WAYWQWQTSA-N 0 0 345.786 2.130 10 10 EECERN COc1cccc(OCCCNC(=O)c2c(F)ccc(O)c2O)c1 ZINC001306606598 1331479170 /nfs/dbraw/zinc/47/91/70/1331479170.db2.gz GUZTZAICMGCUMN-UHFFFAOYSA-N 0 0 335.331 2.444 10 10 EECERN C[C@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001322541728 1333278847 /nfs/dbraw/zinc/27/88/47/1333278847.db2.gz WGZGNZCIUFJMGP-RDJZCZTQSA-N 0 0 343.471 2.311 10 10 EECERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330487355 1334855896 /nfs/dbraw/zinc/85/58/96/1334855896.db2.gz RGSFRSFASOWFRQ-SKDRFNHKSA-N 0 0 342.317 2.034 10 10 EECERN CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc1 ZINC001333175559 1335976450 /nfs/dbraw/zinc/97/64/50/1335976450.db2.gz IFZXWPOPKMXXNV-LAQIPUCWSA-N 0 0 342.443 2.032 10 10 EECERN COc1ccc(CNC(=O)NC[C@@H]2OCc3ccccc32)c(O)c1 ZINC001351969845 1337873324 /nfs/dbraw/zinc/87/33/24/1337873324.db2.gz ADUHOYLSLKJVSW-KRWDZBQOSA-N 0 0 328.368 2.472 10 10 EECERN COC(=O)[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001353920001 1338370486 /nfs/dbraw/zinc/37/04/86/1338370486.db2.gz KQKISPYLAHDZRB-IYBDPMFKSA-N 0 0 330.428 2.444 10 10 EECERN COC(=O)/C=C/c1ccc(C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC001355879321 1338762899 /nfs/dbraw/zinc/76/28/99/1338762899.db2.gz VNVZITYNBGWVLL-PKNBQFBNSA-N 0 0 328.368 2.462 10 10 EECERN CN(Cc1nccn1CC(F)(F)F)C(=O)Cc1ccc(O)c(O)c1 ZINC001611505180 1352302022 /nfs/dbraw/zinc/30/20/22/1352302022.db2.gz SXAWGRCSXQNANE-UHFFFAOYSA-N 0 0 343.305 2.058 10 10 EECERN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c(C)n1NC(N)=O ZINC001557387133 1342448059 /nfs/dbraw/zinc/44/80/59/1342448059.db2.gz PPYONKGTGYOXOO-UHFFFAOYSA-N 0 0 336.779 2.016 10 10 EECERN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc(S(C)(=O)=O)c1 ZINC001558063690 1342463427 /nfs/dbraw/zinc/46/34/27/1342463427.db2.gz PXOFLSVWBBLWEI-GQCTYLIASA-N 0 0 347.392 2.462 10 10 EECERN Cc1cc(C(=O)NC[C@@H](C)c2ncon2)c(C)n1-c1ccccn1 ZINC001558503833 1342479226 /nfs/dbraw/zinc/47/92/26/1342479226.db2.gz MLUKDFUKQDQTMB-LLVKDONJSA-N 0 0 325.372 2.406 10 10 EECERN Cc1c(C[S@](C)=O)cccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001586201038 1348846924 /nfs/dbraw/zinc/84/69/24/1348846924.db2.gz LKYKBLUIZNZZRS-QHCPKHFHSA-N 0 0 333.409 2.466 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(O)cn1 ZINC001596359724 1349905850 /nfs/dbraw/zinc/90/58/50/1349905850.db2.gz WAVKGAPAMWBTGF-UHFFFAOYSA-N 0 0 329.425 2.270 10 10 EECERN Cc1nc2ccnn2c(C)c1CCC(=O)NCc1c(O)cccc1O ZINC001597568546 1349927572 /nfs/dbraw/zinc/92/75/72/1349927572.db2.gz GNEDMIKTOAISHQ-UHFFFAOYSA-N 0 0 340.383 2.006 10 10 EECERN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1ccc(O)c(O)c1)CC2 ZINC001623968234 1352410204 /nfs/dbraw/zinc/41/02/04/1352410204.db2.gz OIBGWLRTFQWFPQ-UHFFFAOYSA-N 0 0 328.324 2.446 10 10 EECERN C[C@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)c1ccccc1O ZINC001632250617 1352595131 /nfs/dbraw/zinc/59/51/31/1352595131.db2.gz YOBZRUGLEFXFEZ-MEDUHNTESA-N 0 0 326.352 2.359 10 10 EECERN CNc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)nc1 ZINC001639683729 1352700565 /nfs/dbraw/zinc/70/05/65/1352700565.db2.gz RFRMMKJLJSTSAP-AWEZNQCLSA-N 0 0 340.427 2.388 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC(F)(F)C1(O)CCCCC1 ZINC001647851195 1353405154 /nfs/dbraw/zinc/40/51/54/1353405154.db2.gz BQSMGZJQKFLETK-UHFFFAOYSA-N 0 0 329.343 2.087 10 10 EECERN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1c(F)ccc(O)c1O ZINC001650629072 1354025000 /nfs/dbraw/zinc/02/50/00/1354025000.db2.gz MOEKHDLAVQPWBJ-UHFFFAOYSA-N 0 0 333.315 2.280 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccn(-c2ccc(F)cc2)n1 ZINC001651223213 1354044788 /nfs/dbraw/zinc/04/47/88/1354044788.db2.gz ZVTWHFRSEUJGNN-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1cc(O)ccc1O ZINC001651222874 1354044874 /nfs/dbraw/zinc/04/48/74/1354044874.db2.gz QWPGTLXFZKUEMN-UHFFFAOYSA-N 0 0 331.372 2.129 10 10 EECERN C[C@@H](NC(=O)c1ncc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC001125519509 759729950 /nfs/dbraw/zinc/72/99/50/759729950.db2.gz WZUXJSXKLFITSY-GFCCVEGCSA-N 0 0 346.818 2.458 10 10 EECERN CC(C)(C)C(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000817220098 784588170 /nfs/dbraw/zinc/58/81/70/784588170.db2.gz XADRILGDSWEEOL-UHFFFAOYSA-N 0 0 328.434 2.318 10 10 EECERN CNC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000817640017 784871034 /nfs/dbraw/zinc/87/10/34/784871034.db2.gz MJKRNTFZOYGFHZ-AWEZNQCLSA-N 0 0 343.402 2.441 10 10 EECERN Cc1noc(C)c1CCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167800 785442159 /nfs/dbraw/zinc/44/21/59/785442159.db2.gz HVWVZJGCGZNJNI-UHFFFAOYSA-N 0 0 343.383 2.394 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)C(F)=C3CCC3)cc2)CC1 ZINC000819509678 785580913 /nfs/dbraw/zinc/58/09/13/785580913.db2.gz YTZBBUVOOLEXTO-UHFFFAOYSA-N 0 0 345.418 2.379 10 10 EECERN CO[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000823293052 787681483 /nfs/dbraw/zinc/68/14/83/787681483.db2.gz WWMFRHGZKMXLSV-GOSISDBHSA-N 0 0 332.444 2.345 10 10 EECERN CNc1nc(C)ccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000912292090 788090625 /nfs/dbraw/zinc/09/06/25/788090625.db2.gz JFAKBCXFKPRIJO-AWEZNQCLSA-N 0 0 340.427 2.449 10 10 EECERN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(N(C)C)nn1 ZINC000824530340 788202630 /nfs/dbraw/zinc/20/26/30/788202630.db2.gz YIAORPXUNVFMKY-SNVBAGLBSA-N 0 0 345.403 2.015 10 10 EECERN CCOC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001136964117 788358550 /nfs/dbraw/zinc/35/85/50/788358550.db2.gz XCQYPUMQNHRZAO-QGZVFWFLSA-N 0 0 329.352 2.061 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1cn2c(n1)CCC2 ZINC000843867907 788699345 /nfs/dbraw/zinc/69/93/45/788699345.db2.gz UKNBSNAHSCDBHV-UHFFFAOYSA-N 0 0 336.189 2.227 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCn3c(CC4CC4)nnc3C2)c1O ZINC000844377391 789075298 /nfs/dbraw/zinc/07/52/98/789075298.db2.gz GFBKFDQPOGHUIJ-UHFFFAOYSA-N 0 0 344.390 2.294 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C)cnc2C)c1 ZINC000845857950 789967310 /nfs/dbraw/zinc/96/73/10/789967310.db2.gz XBJPKCSILGGTBT-LLVKDONJSA-N 0 0 343.383 2.229 10 10 EECERN COc1ccc(N2CCCN(S(=O)(=O)CC3(F)CC3)CC2)cc1 ZINC000913951741 794645888 /nfs/dbraw/zinc/64/58/88/794645888.db2.gz LKXOBNHOVDPKIA-UHFFFAOYSA-N 0 0 342.436 2.039 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC001178912487 799697136 /nfs/dbraw/zinc/69/71/36/799697136.db2.gz USIIJHOMVVOSMA-SJLPKXTDSA-N 0 0 329.352 2.218 10 10 EECERN COCCCNC(=O)c1c(-c2cccnc2)cc(=O)n2c1CCCC2 ZINC000581799766 803097106 /nfs/dbraw/zinc/09/71/06/803097106.db2.gz XCUXOLBVAHBSSF-UHFFFAOYSA-N 0 0 341.411 2.013 10 10 EECERN Cc1cc(C(=O)COC(=O)CC(N)=O)c(C)n1-c1ccc(C)cc1 ZINC000787941794 807324790 /nfs/dbraw/zinc/32/47/90/807324790.db2.gz GXPZQLQILISWAI-UHFFFAOYSA-N 0 0 328.368 2.004 10 10 EECERN CC(C)[C@@H](C)CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788929023 807746139 /nfs/dbraw/zinc/74/61/39/807746139.db2.gz FEICTLGFYFLLCI-HNNXBMFYSA-N 0 0 331.460 2.311 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000103503328 809832517 /nfs/dbraw/zinc/83/25/17/809832517.db2.gz FJHQKAYOQDPQNE-JTQLQIEISA-N 0 0 339.351 2.128 10 10 EECERN COc1ccc(CNC(=O)C[C@@H](NC(C)=O)c2ccccc2)c(O)c1 ZINC000794375994 810803436 /nfs/dbraw/zinc/80/34/36/810803436.db2.gz ABHUSRKKXWHLET-QGZVFWFLSA-N 0 0 342.395 2.285 10 10 EECERN Cc1n[nH]cc1CNC(=O)NCc1cc(Br)ccc1O ZINC000806431047 811856757 /nfs/dbraw/zinc/85/67/57/811856757.db2.gz JXKVZKKGHNHMSL-UHFFFAOYSA-N 0 0 339.193 2.186 10 10 EECERN C[C@@H](OCC(=O)NCc1c(O)ccc2c1CCCC2)c1nccn1C ZINC000806942775 812041064 /nfs/dbraw/zinc/04/10/64/812041064.db2.gz FPRUMULBWCPLDJ-CYBMUJFWSA-N 0 0 343.427 2.399 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000808510798 812682343 /nfs/dbraw/zinc/68/23/43/812682343.db2.gz IOBHMWDEHOSZPG-VXGBXAGGSA-N 0 0 325.158 2.254 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000808527227 812694482 /nfs/dbraw/zinc/69/44/82/812694482.db2.gz BDFFDTUPTOXOFP-QMMMGPOBSA-N 0 0 345.164 2.468 10 10 EECERN CC(=O)C(=O)COC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC000808528240 812695032 /nfs/dbraw/zinc/69/50/32/812695032.db2.gz ZQIUIEPKQHHRSC-UHFFFAOYSA-N 0 0 335.356 2.129 10 10 EECERN CCC(CC)(C(=O)OCC(=O)C(C)=O)c1ccc(OC)c(OC)c1 ZINC000808536513 812706978 /nfs/dbraw/zinc/70/69/78/812706978.db2.gz LLNAWXLZMZYJQD-UHFFFAOYSA-N 0 0 336.384 2.463 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001447564244 1102870940 /nfs/dbraw/zinc/87/09/40/1102870940.db2.gz PXMWBQOACJYOII-SSDOTTSWSA-N 0 0 329.278 2.201 10 10 EECERN COc1ccc(CNC(=O)c2cccc(-n3cc[nH]c3=O)c2)c(O)c1 ZINC001448369292 1104471457 /nfs/dbraw/zinc/47/14/57/1104471457.db2.gz CRRBUIUBFPDDFQ-UHFFFAOYSA-N 0 0 339.351 2.222 10 10 EECERN CCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)c(N)c1 ZINC001454818813 1107713360 /nfs/dbraw/zinc/71/33/60/1107713360.db2.gz NVDOFFNSCFBVLK-NSHDSACASA-N 0 0 348.424 2.259 10 10 EECERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cc(O)ccc1O ZINC001455350372 1108467601 /nfs/dbraw/zinc/46/76/01/1108467601.db2.gz BTULESKHUSKZGK-QWRGUYRKSA-N 0 0 338.404 2.263 10 10 EECERN COCc1nn(C)cc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001456311365 1109138964 /nfs/dbraw/zinc/13/89/64/1109138964.db2.gz SVBNEGKVLWUAEM-UHFFFAOYSA-N 0 0 325.368 2.355 10 10 EECERN CCc1nc(C)ncc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001458043724 1109826166 /nfs/dbraw/zinc/82/61/66/1109826166.db2.gz NRRCNYHHVRXPKM-UHFFFAOYSA-N 0 0 340.427 2.318 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC001463943898 1110383991 /nfs/dbraw/zinc/38/39/91/1110383991.db2.gz XUBABVNDMAZVRJ-CYBMUJFWSA-N 0 0 340.339 2.419 10 10 EECERN NC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl ZINC001465630918 1110421085 /nfs/dbraw/zinc/42/10/85/1110421085.db2.gz OQGKIUNXVYYSRP-CYBMUJFWSA-N 0 0 348.786 2.027 10 10 EECERN CN(Cc1ccccc1O)C(=O)/C=C/c1ccc2c(c1)NC(=O)CO2 ZINC001465844189 1110424902 /nfs/dbraw/zinc/42/49/02/1110424902.db2.gz HRWXVLFUKRAVBT-VQHVLOKHSA-N 0 0 338.363 2.395 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc(CN2CCCC2=O)cc1 ZINC001471661132 1110527666 /nfs/dbraw/zinc/52/76/66/1110527666.db2.gz RLFIJEPGOUOTMK-UHFFFAOYSA-N 0 0 340.379 2.150 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1nc(Br)ccc1F ZINC001471662192 1110527800 /nfs/dbraw/zinc/52/78/00/1110527800.db2.gz SHENJRGXHGEBLR-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1 ZINC001478648144 1110656097 /nfs/dbraw/zinc/65/60/97/1110656097.db2.gz CGSUCGGNAZXGRO-YOEHRIQHSA-N 0 0 344.415 2.187 10 10 EECERN O=C(Cn1ncc2cccnc21)Nc1c2nonc2ccc1Cl ZINC001525322614 1120303504 /nfs/dbraw/zinc/30/35/04/1120303504.db2.gz SKXFQVSFBJJUOG-UHFFFAOYSA-N 0 0 328.719 2.260 10 10 EECERN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001542348938 1124112539 /nfs/dbraw/zinc/11/25/39/1124112539.db2.gz RMBQWOSAMYOEIS-HIFRSBDPSA-N 0 0 348.443 2.184 10 10 EECERN COc1cccc([C@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001545585067 1124197305 /nfs/dbraw/zinc/19/73/05/1124197305.db2.gz NBKBDQGUKGCTQR-OAHLLOKOSA-N 0 0 342.355 2.321 10 10 EECERN O=C(NCCc1cn[nH]c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000292056416 238183121 /nfs/dbraw/zinc/18/31/21/238183121.db2.gz HAXUPQOFTKBKHA-INIZCTEOSA-N 0 0 344.415 2.049 10 10 EECERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251440525 464933314 /nfs/dbraw/zinc/93/33/14/464933314.db2.gz BBZDGXDCUIZWTO-FADOSPDUSA-N 0 0 342.439 2.220 10 10 EECERN Cc1cc(C)c(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c(=O)[nH]1 ZINC000057647682 463505895 /nfs/dbraw/zinc/50/58/95/463505895.db2.gz INLSIKWCAIZVNT-UHFFFAOYSA-N 0 0 346.406 2.196 10 10 EECERN O=C1CN(Cc2cc3c(cc2O)OCO3)CCN1c1cccs1 ZINC000184970150 463727651 /nfs/dbraw/zinc/72/76/51/463727651.db2.gz NZLCKJPDCVZPIH-UHFFFAOYSA-N 0 0 332.381 2.031 10 10 EECERN Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c(O)c1O ZINC000278199989 463958452 /nfs/dbraw/zinc/95/84/52/463958452.db2.gz CLCLJMSSFBPWMG-GFCCVEGCSA-N 0 0 329.278 2.173 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCOCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000288704682 464055907 /nfs/dbraw/zinc/05/59/07/464055907.db2.gz CCSMMZBUCXJGEB-HWKANZROSA-N 0 0 342.298 2.253 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000181205883 464458023 /nfs/dbraw/zinc/45/80/23/464458023.db2.gz JFJJYEAQCQOLLR-DRDHIDPGSA-N 0 0 326.352 2.186 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3ncncc3Cl)CC2)cc1 ZINC000175159509 464497541 /nfs/dbraw/zinc/49/75/41/464497541.db2.gz SCNUWUNTAFKTBN-UHFFFAOYSA-N 0 0 346.818 2.491 10 10 EECERN Cc1ccc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(O)c1O ZINC000182433942 464654248 /nfs/dbraw/zinc/65/42/48/464654248.db2.gz FWNCKLGSSWRGRL-UHFFFAOYSA-N 0 0 329.400 2.462 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCCNC2=O)c(C)n1-c1ccccc1C ZINC000295663165 464922256 /nfs/dbraw/zinc/92/22/56/464922256.db2.gz QWQSLACZJTZBMK-INIZCTEOSA-N 0 0 325.412 2.411 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CCO[C@]3(CCOC3)C2)cc1 ZINC000184410496 464973264 /nfs/dbraw/zinc/97/32/64/464973264.db2.gz KNJITQITFNIDRT-LJQANCHMSA-N 0 0 347.459 2.234 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000343751653 465550672 /nfs/dbraw/zinc/55/06/72/465550672.db2.gz RTJLKHVZBOFFDJ-ZDUSSCGKSA-N 0 0 326.400 2.321 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)Cn2cncn2)cc1 ZINC000299642312 465838438 /nfs/dbraw/zinc/83/84/38/465838438.db2.gz NPRVUKAEZFURPB-CQSZACIVSA-N 0 0 330.436 2.012 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000363224197 466292923 /nfs/dbraw/zinc/29/29/23/466292923.db2.gz RYUCVTOLRDUDQV-BUCSUVJKSA-N 0 0 346.383 2.378 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@H](CO)C3)ccc21 ZINC000298865642 523861893 /nfs/dbraw/zinc/86/18/93/523861893.db2.gz JWGVQHXUSOHHAX-DOTOQJQBSA-N 0 0 331.460 2.419 10 10 EECERN COC(=O)Cc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000729563298 576665637 /nfs/dbraw/zinc/66/56/37/576665637.db2.gz GYNBYDIUSBMUTF-UHFFFAOYSA-N 0 0 344.367 2.438 10 10 EECERN O=C(NCc1ccccc1O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000734068107 577275982 /nfs/dbraw/zinc/27/59/82/577275982.db2.gz CMBLVCWSMLBGEV-INIZCTEOSA-N 0 0 339.395 2.387 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000772911543 577305660 /nfs/dbraw/zinc/30/56/60/577305660.db2.gz YRQOMIBDGLLNHP-UHFFFAOYSA-N 0 0 331.376 2.105 10 10 EECERN C[C@H](NC(=O)N1CCC(C(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000773614043 577354475 /nfs/dbraw/zinc/35/44/75/577354475.db2.gz XWVMLFLREHZTDZ-AWEZNQCLSA-N 0 0 346.475 2.323 10 10 EECERN C[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773620805 577354997 /nfs/dbraw/zinc/35/49/97/577354997.db2.gz XBFYYGOCOWQQIQ-ZDUSSCGKSA-N 0 0 334.464 2.370 10 10 EECERN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000775367602 577435978 /nfs/dbraw/zinc/43/59/78/577435978.db2.gz ADUXQMSMMASFMP-RYUDHWBXSA-N 0 0 336.388 2.003 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000776144153 577453088 /nfs/dbraw/zinc/45/30/88/577453088.db2.gz NVAMYRHFRVPBDL-NWANDNLSSA-N 0 0 332.448 2.157 10 10 EECERN Cc1cc(CCNC(=O)[C@@H]2CCNC(=O)C2)c(C)n1-c1ccccc1 ZINC000760318943 577660632 /nfs/dbraw/zinc/66/06/32/577660632.db2.gz DEGQBNZXUDJJCD-QGZVFWFLSA-N 0 0 339.439 2.279 10 10 EECERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000760885940 577671421 /nfs/dbraw/zinc/67/14/21/577671421.db2.gz LBEVLTXGXYEHGI-NEPJUHHUSA-N 0 0 338.404 2.493 10 10 EECERN CC=CC[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000761091868 577676413 /nfs/dbraw/zinc/67/64/13/577676413.db2.gz PCNKLVJXLOGHIN-MPNWYJEXSA-N 0 0 347.390 2.049 10 10 EECERN C[C@@H]1CCN(c2cc(C(=O)NCCc3ccc(O)c(O)c3)ccn2)C1 ZINC000762268080 577698414 /nfs/dbraw/zinc/69/84/14/577698414.db2.gz AGLSHWKVZDQRLO-CYBMUJFWSA-N 0 0 341.411 2.312 10 10 EECERN C[C@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000763197466 577716486 /nfs/dbraw/zinc/71/64/86/577716486.db2.gz UTMRKWROYLHKRC-YOEHRIQHSA-N 0 0 349.500 2.464 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CSCN1C(C)=O ZINC000751382372 577751372 /nfs/dbraw/zinc/75/13/72/577751372.db2.gz OWJFDNDPVCKULE-MRXNPFEDSA-N 0 0 335.473 2.023 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1COc2ccc(F)cc2C1 ZINC000752889497 577777633 /nfs/dbraw/zinc/77/76/33/577777633.db2.gz FXFYHVGVYRKNER-OLVMAOTFSA-N 0 0 329.327 2.370 10 10 EECERN O=C(NCc1ccccc1O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000748346029 577959675 /nfs/dbraw/zinc/95/96/75/577959675.db2.gz KEGOSWKLOJBUAF-UHFFFAOYSA-N 0 0 328.368 2.154 10 10 EECERN CN1C[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1=O ZINC000723589087 676604599 /nfs/dbraw/zinc/60/45/99/676604599.db2.gz COTVXDUCJLSHSE-QMMMGPOBSA-N 0 0 347.640 2.376 10 10 EECERN CCc1c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)[nH]c(C)c1C(N)=O ZINC000161402703 678663548 /nfs/dbraw/zinc/66/35/48/678663548.db2.gz XETYTBJNYZPRTN-VIFPVBQESA-N 0 0 345.399 2.190 10 10 EECERN CN(C)c1ncc(NC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000178907471 682349385 /nfs/dbraw/zinc/34/93/85/682349385.db2.gz CLQNJYCEOPIPSI-UHFFFAOYSA-N 0 0 340.431 2.465 10 10 EECERN CCOc1ccc(CN[C@H](CC2CCOCC2)C(=O)OC)c(O)c1 ZINC000895593132 684658997 /nfs/dbraw/zinc/65/89/97/684658997.db2.gz YQNHYKMOFWWGBQ-MRXNPFEDSA-N 0 0 337.416 2.239 10 10 EECERN COc1cccc(CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)c1O ZINC000896115247 684840599 /nfs/dbraw/zinc/84/05/99/684840599.db2.gz CFPFALRXWTUURI-CYBMUJFWSA-N 0 0 334.416 2.054 10 10 EECERN COC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000313629669 687753340 /nfs/dbraw/zinc/75/33/40/687753340.db2.gz GVJKKZDBTAJHDU-AWEZNQCLSA-N 0 0 344.205 2.078 10 10 EECERN COC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCCO1 ZINC000897604944 691674137 /nfs/dbraw/zinc/67/41/37/691674137.db2.gz CBXKPNLGDXOKHF-MFKMUULPSA-N 0 0 337.397 2.236 10 10 EECERN CON1CCC(N(C)C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897946298 691830696 /nfs/dbraw/zinc/83/06/96/691830696.db2.gz NVQNPZSMJSCRBK-UHFFFAOYSA-N 0 0 336.413 2.410 10 10 EECERN CN(C)c1ccc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000905318237 694600152 /nfs/dbraw/zinc/60/01/52/694600152.db2.gz OIZIOHGZQJXFED-NSHDSACASA-N 0 0 339.650 2.490 10 10 EECERN CO[C@H]1CN2C(=O)N(Cc3ccc4c(c3)CCCN4C)C(=O)[C@]2(C)C1 ZINC000865302649 1198160538 /nfs/dbraw/zinc/16/05/38/1198160538.db2.gz YUHHQALBCNKIDX-BEFAXECRSA-N 0 0 343.427 2.011 10 10 EECERN CC(C)N(C[C@@H](C)O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000120782954 1198406584 /nfs/dbraw/zinc/40/65/84/1198406584.db2.gz JUKZNJJRRQXXOV-CVEARBPZSA-N 0 0 349.475 2.385 10 10 EECERN COC(=O)c1c2c(sc1NC(=O)[C@H]1CC[C@H]1C(=O)OC)CCC2 ZINC000875020258 1199110867 /nfs/dbraw/zinc/11/08/67/1199110867.db2.gz ONCCRKWYTUMZMH-DTWKUNHWSA-N 0 0 337.397 2.161 10 10 EECERN Cc1c(C(=O)NCc2ccc(N(C)C)cc2C)nn2c1OCCC2 ZINC000825873459 1199611547 /nfs/dbraw/zinc/61/15/47/1199611547.db2.gz KFNBKIDHSUUUOW-UHFFFAOYSA-N 0 0 328.416 2.278 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NO[C@H]1CCCCO1 ZINC000805400735 1199961788 /nfs/dbraw/zinc/96/17/88/1199961788.db2.gz CRMOKDJNJNSAFK-LBPRGKRZSA-N 0 0 345.193 2.412 10 10 EECERN COc1ccc([C@H]2CN(C(=O)Cc3ccc(N)cc3)CCO2)cc1 ZINC000870984162 1200990146 /nfs/dbraw/zinc/99/01/46/1200990146.db2.gz IIHHUDJFTGZDRR-GOSISDBHSA-N 0 0 326.396 2.420 10 10 EECERN O=C(C1CCN(C(=O)N2CCCC2)CC1)N1Cc2cccc(O)c2C1 ZINC000871200853 1201096982 /nfs/dbraw/zinc/09/69/82/1201096982.db2.gz KOXOXMNLIUIDHG-UHFFFAOYSA-N 0 0 343.427 2.162 10 10 EECERN C[C@@H]1C(=O)Nc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2N1C ZINC000871203472 1201097915 /nfs/dbraw/zinc/09/79/15/1201097915.db2.gz MHEBVJQLNWWWAL-LLVKDONJSA-N 0 0 337.379 2.325 10 10 EECERN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871202400 1201098529 /nfs/dbraw/zinc/09/85/29/1201098529.db2.gz GORLXMIITPPYIW-HNNXBMFYSA-N 0 0 345.443 2.312 10 10 EECERN CCCc1cc(=O)n2nc(N3Cc4cccc(O)c4C3)sc2n1 ZINC000866118669 1201438458 /nfs/dbraw/zinc/43/84/58/1201438458.db2.gz DOPJBYXFSJYHAJ-UHFFFAOYSA-N 0 0 328.397 2.329 10 10 EECERN COc1ccc(N2CC[C@H](NS(=O)(=O)C3(C(C)C)CC3)C2)cc1 ZINC000867496489 1201622676 /nfs/dbraw/zinc/62/26/76/1201622676.db2.gz DLLNWOYGDVNRIY-AWEZNQCLSA-N 0 0 338.473 2.382 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)CN1CCCCC(=O)C1=O ZINC000868110242 1201745784 /nfs/dbraw/zinc/74/57/84/1201745784.db2.gz WWLNYZOIFCNGRK-UHFFFAOYSA-N 0 0 346.427 2.103 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000868119375 1201747691 /nfs/dbraw/zinc/74/76/91/1201747691.db2.gz PNJAAMDFSMEEAL-UONOGXRCSA-N 0 0 341.415 2.211 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1O ZINC000868410459 1201807702 /nfs/dbraw/zinc/80/77/02/1201807702.db2.gz MIZINCUBMMVQSY-XIRDDKMYSA-N 0 0 347.459 2.396 10 10 EECERN C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925791617 1206154389 /nfs/dbraw/zinc/15/43/89/1206154389.db2.gz MCWUROMFIKRGJO-STQMWFEESA-N 0 0 335.404 2.110 10 10 EECERN O=C(NCc1nc2c(s1)COCC2)N1Cc2cccc(O)c2C1 ZINC000927694958 1206292025 /nfs/dbraw/zinc/29/20/25/1206292025.db2.gz LEDLRBXDQJGIGY-UHFFFAOYSA-N 0 0 331.397 2.147 10 10 EECERN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928712276 1206414136 /nfs/dbraw/zinc/41/41/36/1206414136.db2.gz PYWQTVXZGQDYDO-GFCCVEGCSA-N 0 0 340.420 2.095 10 10 EECERN CCn1nc(C)cc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000040770642 1208275900 /nfs/dbraw/zinc/27/59/00/1208275900.db2.gz TXRIGWOEYWRDIN-UHFFFAOYSA-N 0 0 328.416 2.182 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2nc(C)c(C)[nH]c2=O)cc1F ZINC000155752427 1208335112 /nfs/dbraw/zinc/33/51/12/1208335112.db2.gz OVYJJLMVUDKGLQ-UHFFFAOYSA-N 0 0 346.406 2.302 10 10 EECERN O=C1CN(Cc2cc3c(cc2O)CCCC3)CCN1CC(F)(F)F ZINC000795730697 1215033993 /nfs/dbraw/zinc/03/39/93/1215033993.db2.gz OLOQIRFPDNNSRI-UHFFFAOYSA-N 0 0 342.361 2.478 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)c2ccccc2OC)c1 ZINC000901127958 1235257368 /nfs/dbraw/zinc/25/73/68/1235257368.db2.gz QQOUQGRHFBSFKP-APPDUMDISA-N 0 0 331.368 2.320 10 10 EECERN C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ncnn21 ZINC000850351570 1277193966 /nfs/dbraw/zinc/19/39/66/1277193966.db2.gz CWRCKOKSSPTXCT-WFASDCNBSA-N 0 0 331.395 2.049 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)cnn1C ZINC000850449875 1277227494 /nfs/dbraw/zinc/22/74/94/1277227494.db2.gz WKLLBNQBRBMTHY-UHFFFAOYSA-N 0 0 344.415 2.202 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCc3c(cccc3C(N)=O)C2)c1O ZINC000852754512 1292186833 /nfs/dbraw/zinc/18/68/33/1292186833.db2.gz CLLWRPIVHKAQTM-UHFFFAOYSA-N 0 0 342.370 2.391 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3cccnc3OC)C2)cc1 ZINC000853817781 1292469750 /nfs/dbraw/zinc/46/97/50/1292469750.db2.gz MTJBWZGVEWPYGA-ZDUSSCGKSA-N 0 0 342.399 2.499 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC4(CC4(F)F)C3)C2)cc1 ZINC000854295720 1292706958 /nfs/dbraw/zinc/70/69/58/1292706958.db2.gz ACKGXNSRIGXKBV-LBPRGKRZSA-N 0 0 337.370 2.325 10 10 EECERN COC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296692 1292707360 /nfs/dbraw/zinc/70/73/60/1292707360.db2.gz GCQCDYGUVJZMKY-RDJZCZTQSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCCC[C@H]3CCO)C2)cc1 ZINC000854298348 1292710459 /nfs/dbraw/zinc/71/04/59/1292710459.db2.gz AXGSMANVEZQCFP-WBVHZDCISA-N 0 0 347.459 2.220 10 10 EECERN CC[C@H](C)[C@@](C)(O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302057 1292712172 /nfs/dbraw/zinc/71/21/72/1292712172.db2.gz XLYNFLJHMIGLNY-DOXZYTNZSA-N 0 0 349.475 2.370 10 10 EECERN CON1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000854864178 1292972405 /nfs/dbraw/zinc/97/24/05/1292972405.db2.gz PASTYCLZYDJXAW-UHFFFAOYSA-N 0 0 327.428 2.342 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnc2n1CCOC2 ZINC000854949112 1292998863 /nfs/dbraw/zinc/99/88/63/1292998863.db2.gz SZXPSUBXTZWKOP-CQSZACIVSA-N 0 0 342.443 2.149 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)C3CCCCC3)C2)cc1 ZINC000855224672 1293117413 /nfs/dbraw/zinc/11/74/13/1293117413.db2.gz GWMZJLYDOGSESH-QAPCUYQASA-N 0 0 332.444 2.331 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4cccnn43)C2)cc1 ZINC000855227916 1293119668 /nfs/dbraw/zinc/11/96/68/1293119668.db2.gz ROOHQVIJVMLXNA-CQSZACIVSA-N 0 0 336.395 2.352 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3c(C)n[nH]c3C)C2)cc1 ZINC000855230640 1293120922 /nfs/dbraw/zinc/12/09/22/1293120922.db2.gz GPXSYCPCMAHCKV-OAHLLOKOSA-N 0 0 342.443 2.363 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C(F)(F)F ZINC000856215662 1293449066 /nfs/dbraw/zinc/44/90/66/1293449066.db2.gz OAOHUSNTGQCRPC-HUUCEWRRSA-N 0 0 342.361 2.462 10 10 EECERN Oc1cccc(Cl)c1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534651 1293559299 /nfs/dbraw/zinc/55/92/99/1293559299.db2.gz YWWUOIHVTXWROJ-UONOGXRCSA-N 0 0 345.830 2.396 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000859421110 1294433036 /nfs/dbraw/zinc/43/30/36/1294433036.db2.gz LSNWOLZWZSOXAR-GOSISDBHSA-N 0 0 337.423 2.204 10 10 EECERN O=C(Cc1cn2c(n1)CCCC2)NCc1ccc2cccnc2c1O ZINC000862025290 1295661259 /nfs/dbraw/zinc/66/12/59/1295661259.db2.gz RSQVGRLRDCHBNT-UHFFFAOYSA-N 0 0 336.395 2.332 10 10 EECERN CCOc1cccc(CN[C@@H](C[C@@H]2CCCOC2)C(=O)OC)c1O ZINC000862516730 1295864183 /nfs/dbraw/zinc/86/41/83/1295864183.db2.gz XUOLHCJWVMCVCU-ZFWWWQNUSA-N 0 0 337.416 2.239 10 10 EECERN COc1ccc(N2CCN(C(=O)c3ncc(OC)cc3F)CC2)cc1 ZINC000864469637 1296553999 /nfs/dbraw/zinc/55/39/99/1296553999.db2.gz AHHLUFVATIJWJN-UHFFFAOYSA-N 0 0 345.374 2.200 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2nccc(N(C)C)n2)c1 ZINC000797641537 1304795416 /nfs/dbraw/zinc/79/54/16/1304795416.db2.gz CINWSNRJXGEYAC-SNVBAGLBSA-N 0 0 331.376 2.140 10 10 EECERN COc1ccc(N2CCN(C[C@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799294114 1305215260 /nfs/dbraw/zinc/21/52/60/1305215260.db2.gz RYOMJXIINUEFCU-SFHVURJKSA-N 0 0 331.391 2.085 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001118189087 1306310411 /nfs/dbraw/zinc/31/04/11/1306310411.db2.gz HXXGYFQPWUSBAZ-TWPIFRAZSA-N 0 0 332.356 2.396 10 10 EECERN Cc1cc(Br)c(O)c(CN2CCO[C@H]([C@H](C)O)C2)c1 ZINC000840980345 1315450675 /nfs/dbraw/zinc/45/06/75/1315450675.db2.gz XCYJJUJPIGWBAX-GWCFXTLKSA-N 0 0 330.222 2.045 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cnn(C)c2OC)cc1F ZINC000839676060 1315231756 /nfs/dbraw/zinc/23/17/56/1315231756.db2.gz HXROETDIFKRYEE-UHFFFAOYSA-N 0 0 334.395 2.344 10 10 EECERN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000841957879 1315643920 /nfs/dbraw/zinc/64/39/20/1315643920.db2.gz FFWBRPQNNCNRRX-CLCXKQKWSA-N 0 0 347.459 2.179 10 10 EECERN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001150386556 1316251057 /nfs/dbraw/zinc/25/10/57/1316251057.db2.gz KADASPWYYWJIES-UHFFFAOYSA-N 0 0 344.371 2.001 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOc2ccccc2[C@H]1CO ZINC001156696400 1318166146 /nfs/dbraw/zinc/16/61/46/1318166146.db2.gz PMBVKYARXLFIHT-PMGBHYCQSA-N 0 0 341.363 2.066 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)c2cnn(C)c2)cc1 ZINC001157776712 1318853990 /nfs/dbraw/zinc/85/39/90/1318853990.db2.gz ZYCJSQHIEGODKQ-UHFFFAOYSA-N 0 0 336.395 2.440 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc(-c2ccccn2)[nH]c1=O ZINC001299570476 1319502871 /nfs/dbraw/zinc/50/28/71/1319502871.db2.gz JBRYICKLNTXRLW-UHFFFAOYSA-N 0 0 337.335 2.190 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC001299574328 1319526954 /nfs/dbraw/zinc/52/69/54/1319526954.db2.gz PRLOLHXQFWMICA-GDBMZVCRSA-N 0 0 327.336 2.018 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ncn(C)n2)cc1 ZINC001160028201 1320050924 /nfs/dbraw/zinc/05/09/24/1320050924.db2.gz DLEDBMKGRGGEDB-UHFFFAOYSA-N 0 0 337.383 2.216 10 10 EECERN COc1ccc(N2CC[C@H](CNc3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC001163566146 1321159349 /nfs/dbraw/zinc/15/93/49/1321159349.db2.gz PXRJPHBEKLGKCP-GFCCVEGCSA-N 0 0 331.376 2.275 10 10 EECERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001299721198 1321987554 /nfs/dbraw/zinc/98/75/54/1321987554.db2.gz DXLVGCYXDVRIDS-CYBMUJFWSA-N 0 0 349.390 2.375 10 10 EECERN C[C@H](NC(=O)C(=O)N1CC(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC001261766861 1322174244 /nfs/dbraw/zinc/17/42/44/1322174244.db2.gz QRRDDOHWJLWDIR-ZDUSSCGKSA-N 0 0 329.444 2.188 10 10 EECERN CC1(C)CC[C@@H]1C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001283079076 1325911604 /nfs/dbraw/zinc/91/16/04/1325911604.db2.gz RROZBCHTZXKSSE-CYBMUJFWSA-N 0 0 345.403 2.131 10 10 EECERN CC(C)n1ccnc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001291755660 1328329666 /nfs/dbraw/zinc/32/96/66/1328329666.db2.gz JBXXJBIQLUVBCZ-UHFFFAOYSA-N 0 0 346.406 2.370 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)nc(CO)n3C)c1 ZINC001301046675 1331287777 /nfs/dbraw/zinc/28/77/77/1331287777.db2.gz HLNHETQBZHRDBB-UHFFFAOYSA-N 0 0 325.368 2.010 10 10 EECERN Cc1nnc(Nc2cnn(C)c2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001304872342 1331401229 /nfs/dbraw/zinc/40/12/29/1331401229.db2.gz KSRCSBOBOUBIMB-UHFFFAOYSA-N 0 0 329.383 2.317 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3cnnc(C)c3)CC2)cc1 ZINC001324409628 1333677075 /nfs/dbraw/zinc/67/70/75/1333677075.db2.gz YONSYYKVUZPBIL-UHFFFAOYSA-N 0 0 326.400 2.146 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@]2(CCSC2)C1 ZINC001326283692 1334059640 /nfs/dbraw/zinc/05/96/40/1334059640.db2.gz LGXRSXBGAIATSF-GOSISDBHSA-N 0 0 349.500 2.479 10 10 EECERN CC(C)(C)OC(=O)COCC(=O)Nc1c2nonc2ccc1Cl ZINC001329524137 1334667829 /nfs/dbraw/zinc/66/78/29/1334667829.db2.gz WSIKWKCKJBZGKW-UHFFFAOYSA-N 0 0 341.751 2.173 10 10 EECERN Cc1ccc2c(c1)nnn(CN(C)Cc1ccc(N(C)C)cc1)c2=O ZINC000848474045 1338704409 /nfs/dbraw/zinc/70/44/09/1338704409.db2.gz VNHQHMPZPGYAIB-UHFFFAOYSA-N 0 0 337.427 2.255 10 10 EECERN C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1F)c1ccccc1O ZINC001557966455 1342461308 /nfs/dbraw/zinc/46/13/08/1342461308.db2.gz BNXGNWZNKHHWFI-SNVBAGLBSA-N 0 0 337.372 2.426 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001583934166 1348713074 /nfs/dbraw/zinc/71/30/74/1348713074.db2.gz VYCLTEQILCCQPO-UHFFFAOYSA-N 0 0 347.802 2.038 10 10 EECERN COc1ccc(N2CCN(C(=O)c3ccc(=O)[nH]c3C)CC2)cc1F ZINC001595482486 1349887763 /nfs/dbraw/zinc/88/77/63/1349887763.db2.gz NDWQFLXIRNAWLR-UHFFFAOYSA-N 0 0 345.374 2.206 10 10 EECERN COc1cccc(CNC(=O)c2ccc(-n3cc[nH]c3=O)cc2)c1O ZINC001595799741 1349895651 /nfs/dbraw/zinc/89/56/51/1349895651.db2.gz GUZNLQFIAJCOLT-UHFFFAOYSA-N 0 0 339.351 2.222 10 10 EECERN COCCOCc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001596511019 1349907720 /nfs/dbraw/zinc/90/77/20/1349907720.db2.gz FBHMIUCICAZSRR-UHFFFAOYSA-N 0 0 331.368 2.442 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)NC(=O)CS2 ZINC001623514165 1352398771 /nfs/dbraw/zinc/39/87/71/1352398771.db2.gz BDBOYYQSIAERPM-UHFFFAOYSA-N 0 0 330.365 2.323 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)c2cccc(F)c2)cc1 ZINC001623814981 1352406139 /nfs/dbraw/zinc/40/61/39/1352406139.db2.gz XCDHQPDQIRXLCV-CQSZACIVSA-N 0 0 330.319 2.452 10 10 EECERN CNc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)nc1 ZINC001630202037 1352565514 /nfs/dbraw/zinc/56/55/14/1352565514.db2.gz JRZOYWWRAVEUBT-UHFFFAOYSA-N 0 0 344.390 2.233 10 10 EECERN C[C@@H](NC(=O)Cc1ccccc1S(C)(=O)=O)c1ccccc1O ZINC001635793768 1352652642 /nfs/dbraw/zinc/65/26/42/1352652642.db2.gz HOEDXCCJYNYRIT-GFCCVEGCSA-N 0 0 333.409 2.216 10 10 EECERN Cc1cc(C(=O)Cn2ncc([N+](=O)[O-])n2)c(C)n1-c1ccccc1 ZINC001644166110 1352758695 /nfs/dbraw/zinc/75/86/95/1352758695.db2.gz UHRKEPVVGAGCOK-UHFFFAOYSA-N 0 0 325.328 2.477 10 10 EECERN CN(CCc1ccc2c(c1)OCO2)C(=O)Cc1ccc(O)c(O)c1 ZINC001645531169 1352782176 /nfs/dbraw/zinc/78/21/76/1352782176.db2.gz FASDANRKHGYTGX-UHFFFAOYSA-N 0 0 329.352 2.070 10 10 EECERN CCOc1nc2cc(C(=O)NCc3c(O)cccc3O)ccc2[nH]1 ZINC001647268787 1353213056 /nfs/dbraw/zinc/21/30/56/1353213056.db2.gz CHIVVBBABGZBEM-UHFFFAOYSA-N 0 0 327.340 2.303 10 10 EECERN CCOC(=O)c1cn(CC)nc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001648498399 1353431836 /nfs/dbraw/zinc/43/18/36/1353431836.db2.gz FYMXNQQSEKZMJP-SOFGYWHQSA-N 0 0 345.355 2.143 10 10 EECERN CCOC(=O)[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001651225386 1354045095 /nfs/dbraw/zinc/04/50/95/1354045095.db2.gz HONHNQCGGMUSCM-MRXNPFEDSA-N 0 0 329.352 2.061 10 10 EECERN O=C(NCCc1ccccc1[N+](=O)[O-])NCc1c(O)cccc1F ZINC001680747233 1357914586 /nfs/dbraw/zinc/91/45/86/1357914586.db2.gz UXEWQTVLTGQQKP-UHFFFAOYSA-N 0 0 333.319 2.481 10 10 EECERN C[C@](CO)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(O)cc1 ZINC001143500421 765090316 /nfs/dbraw/zinc/09/03/16/765090316.db2.gz PZJYVDMUKQYLLW-QGZVFWFLSA-N 0 0 342.355 2.192 10 10 EECERN COCCCOC1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000179581638 774080548 /nfs/dbraw/zinc/08/05/48/774080548.db2.gz ASUQDHMOYQHMDK-UHFFFAOYSA-N 0 0 347.459 2.234 10 10 EECERN CN(Cc1ccccc1O)C(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000906991940 784305922 /nfs/dbraw/zinc/30/59/22/784305922.db2.gz RPLQMQDACLLDHM-JTQLQIEISA-N 0 0 326.607 2.472 10 10 EECERN COc1ccc(N2CCCN(C(=O)/C=C\[C@H]3CCCO3)CC2)cc1 ZINC000819142661 785419501 /nfs/dbraw/zinc/41/95/01/785419501.db2.gz PEXJGCDETFVECP-HJCTWCACSA-N 0 0 330.428 2.469 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3cn(C(C)C)nn3)C2)cc1 ZINC000819590235 785599174 /nfs/dbraw/zinc/59/91/74/785599174.db2.gz JMVWKNYQFISWOK-CQSZACIVSA-N 0 0 343.431 2.124 10 10 EECERN CN1CCOC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708197381 786764068 /nfs/dbraw/zinc/76/40/68/786764068.db2.gz PSEKNBYUCIMWFM-NSHDSACASA-N 0 0 349.656 2.228 10 10 EECERN Cc1cc(CC(=O)NCCCS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000823039060 787523877 /nfs/dbraw/zinc/52/38/77/787523877.db2.gz AMPJGKBRLVTLAD-UHFFFAOYSA-N 0 0 348.468 2.188 10 10 EECERN Cc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709251 788304692 /nfs/dbraw/zinc/30/46/92/788304692.db2.gz DVEJRRAJXZIISI-UHFFFAOYSA-N 0 0 348.834 2.263 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000156215105 788659432 /nfs/dbraw/zinc/65/94/32/788659432.db2.gz BZUYSHBWACUAPV-UHFFFAOYSA-N 0 0 325.411 2.129 10 10 EECERN Cc1cc(CNC(=O)[C@H](O)C(C)(C)O)c(C)n1-c1cccc(C)c1 ZINC000913167087 788675447 /nfs/dbraw/zinc/67/54/47/788675447.db2.gz MBDJPYLLADACFA-KRWDZBQOSA-N 0 0 330.428 2.151 10 10 EECERN Cc1cc(C(=O)N2CN(C)C(=O)[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000844101973 788846183 /nfs/dbraw/zinc/84/61/83/788846183.db2.gz IFLAIRKYFJUJJU-CYBMUJFWSA-N 0 0 329.375 2.493 10 10 EECERN COc1ccc(N(C)CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)cc1 ZINC000844353228 789037004 /nfs/dbraw/zinc/03/70/04/789037004.db2.gz RNHPVXWQHQSNND-CYBMUJFWSA-N 0 0 328.416 2.360 10 10 EECERN CCC[C@H](C)[C@@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000844933978 789470426 /nfs/dbraw/zinc/47/04/26/789470426.db2.gz KKMVSHKVVJLHLK-SWLSCSKDSA-N 0 0 325.428 2.488 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1CCN(c2ccccn2)C1 ZINC000921630007 790158418 /nfs/dbraw/zinc/15/84/18/790158418.db2.gz OMMFMGSCZMKBHD-LBPRGKRZSA-N 0 0 330.363 2.004 10 10 EECERN O=C1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CN1CC1CC1 ZINC000716790800 796454983 /nfs/dbraw/zinc/45/49/83/796454983.db2.gz CGRCRRBJIWQPFR-GFCCVEGCSA-N 0 0 339.233 2.255 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1CCO[C@@H](c2ccccc2)O1 ZINC001178912486 799697373 /nfs/dbraw/zinc/69/73/73/799697373.db2.gz USIIJHOMVVOSMA-FUHWJXTLSA-N 0 0 329.352 2.218 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000788535310 807583263 /nfs/dbraw/zinc/58/32/63/807583263.db2.gz LULOFLDLJUWQGZ-QMTHXVAHSA-N 0 0 330.222 2.093 10 10 EECERN CC(=O)C(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000808499543 812672653 /nfs/dbraw/zinc/67/26/53/812672653.db2.gz CAPQOUNLHCSUII-UHFFFAOYSA-N 0 0 335.337 2.217 10 10 EECERN CC(=O)C(=O)COC(=O)CCOc1ccc(C)cc1Br ZINC000808508324 812679455 /nfs/dbraw/zinc/67/94/55/812679455.db2.gz APSDWRZGWWPTCW-UHFFFAOYSA-N 0 0 343.173 2.228 10 10 EECERN CC(=O)C(=O)COC(=O)CCc1ccc(Br)cc1F ZINC000808508895 812680092 /nfs/dbraw/zinc/68/00/92/812680092.db2.gz OHHBHJHPDDINFF-UHFFFAOYSA-N 0 0 331.137 2.222 10 10 EECERN CC(=O)C(=O)COC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000808534296 812704445 /nfs/dbraw/zinc/70/44/45/812704445.db2.gz JNOFSCKVIKMPEQ-UHFFFAOYSA-N 0 0 325.292 2.403 10 10 EECERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000808547251 812714711 /nfs/dbraw/zinc/71/47/11/812714711.db2.gz KMCSLDAGDFTYHI-NWDGAFQWSA-N 0 0 330.258 2.390 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cnn(-c2ccc(F)cc2)c1 ZINC001451765880 1097910066 /nfs/dbraw/zinc/91/00/66/1097910066.db2.gz IVAKMNPJKNWEBZ-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN COc1ccc(CNC(=O)[C@@H](C)N2CSCCSC2)c(O)c1 ZINC001448376282 1104482803 /nfs/dbraw/zinc/48/28/03/1104482803.db2.gz WHTRUJJZKCABPE-LLVKDONJSA-N 0 0 342.486 2.103 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCc2ccccc2NC1=O ZINC001452658973 1105625336 /nfs/dbraw/zinc/62/53/36/1105625336.db2.gz BHHGICHEKABWHN-IZIDJEDMSA-N 0 0 338.363 2.181 10 10 EECERN CS(C)(=O)=Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001456315231 1109140185 /nfs/dbraw/zinc/14/01/85/1109140185.db2.gz IRMQNPYCYIYSGZ-UHFFFAOYSA-N 0 0 334.397 2.387 10 10 EECERN CC(=O)N(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001457932246 1109814619 /nfs/dbraw/zinc/81/46/19/1109814619.db2.gz DNQMFYXTEJGDJW-UHFFFAOYSA-N 0 0 332.331 2.150 10 10 EECERN Cc1ccc(C(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)c(O)c1O ZINC001465629191 1110420962 /nfs/dbraw/zinc/42/09/62/1110420962.db2.gz LQGQVUCNNXMCAH-CYBMUJFWSA-N 0 0 348.786 2.406 10 10 EECERN Cc1c(Br)cncc1C(=O)NCc1ccc(O)c(O)c1 ZINC001465954028 1110427029 /nfs/dbraw/zinc/42/70/29/1110427029.db2.gz LVQPNEDOOORLPD-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN CC(=O)N1CCc2cc(C(=O)NCc3c(O)cccc3F)ccc21 ZINC001471974415 1110537135 /nfs/dbraw/zinc/53/71/35/1110537135.db2.gz CJMGMUPXLCJNEV-UHFFFAOYSA-N 0 0 328.343 2.370 10 10 EECERN COc1ccc(N2CCN(c3nnc(C)n3C3CC3)CC2)cc1F ZINC001518307759 1119055508 /nfs/dbraw/zinc/05/55/08/1119055508.db2.gz GPKPLHUMDHDOKD-UHFFFAOYSA-N 0 0 331.395 2.396 10 10 EECERN COc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1NC(C)=O ZINC001543088874 1124120354 /nfs/dbraw/zinc/12/03/54/1124120354.db2.gz NTZXCFCZRFRBMF-UHFFFAOYSA-N 0 0 330.340 2.246 10 10 EECERN COc1ccc(N2CCN(C(=O)CCc3cc(C)n[nH]3)CC2)cc1F ZINC001545607940 1124198510 /nfs/dbraw/zinc/19/85/10/1124198510.db2.gz DIVNYSLBLRDPER-UHFFFAOYSA-N 0 0 346.406 2.147 10 10 EECERN Cn1cc([C@H]2NC(=O)CC[C@@H]2[NH2+]Cc2ccc3c(c2)CCN3C)cn1 ZINC000328588538 258044751 /nfs/dbraw/zinc/04/47/51/258044751.db2.gz HWLLSSBAUKKNNJ-QFBILLFUSA-N 0 0 339.443 2.362 10 10 EECERN CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCN1CC(F)F ZINC000297251532 465250231 /nfs/dbraw/zinc/25/02/31/465250231.db2.gz VKYWKCKFPGPVCP-VIFPVBQESA-N 0 0 332.322 2.038 10 10 EECERN CCN(C)c1ccc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1F ZINC000095394896 463074005 /nfs/dbraw/zinc/07/40/05/463074005.db2.gz IVDUYJGWWGMPGL-UHFFFAOYSA-N 0 0 335.339 2.152 10 10 EECERN O=C(/C=C\C1CCCCC1)NCc1ccc(N2CCNC(=O)C2)cc1 ZINC000096035053 463142473 /nfs/dbraw/zinc/14/24/73/463142473.db2.gz XZAOPOTTWVDJMF-FLIBITNWSA-N 0 0 341.455 2.376 10 10 EECERN CC(C)NC(=O)N1CCC[C@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000053916208 463196019 /nfs/dbraw/zinc/19/60/19/463196019.db2.gz CPNPVLIUJYKPCC-HNNXBMFYSA-N 0 0 333.432 2.181 10 10 EECERN COC(=O)c1cc(C)nc(NCc2cccc(OC)c2O)c1[N+](=O)[O-] ZINC000288046768 464029842 /nfs/dbraw/zinc/02/98/42/464029842.db2.gz UHZRYYQLMPFHHS-UHFFFAOYSA-N 0 0 347.327 2.411 10 10 EECERN Cc1cc(C(=O)N2CC[C@@H](NC(N)=O)C2)c(C)n1-c1ccccc1C ZINC000270681973 464263960 /nfs/dbraw/zinc/26/39/60/464263960.db2.gz UUIRXTIJIHSHLV-OAHLLOKOSA-N 0 0 340.427 2.285 10 10 EECERN CC1=NC(c2ccc(NC(=O)c3cccc4ncnn43)cc2)=S=C1 ZINC000359789625 465489950 /nfs/dbraw/zinc/48/99/50/465489950.db2.gz FGCKGEISJDMHLB-UHFFFAOYSA-N 0 0 335.392 2.470 10 10 EECERN COc1cc(Cl)cc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000184700898 465019803 /nfs/dbraw/zinc/01/98/03/465019803.db2.gz VEXBPMKYIWUIRR-ZDUSSCGKSA-N 0 0 338.795 2.054 10 10 EECERN Cc1cncn1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000366405296 465706794 /nfs/dbraw/zinc/70/67/94/465706794.db2.gz XYFGFDRQUITOFR-HWKANZROSA-N 0 0 327.384 2.480 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)c2ccccc2C)c1 ZINC000728985064 576569934 /nfs/dbraw/zinc/56/99/34/576569934.db2.gz VNRICBDUAZGZLT-ZDUSSCGKSA-N 0 0 342.395 2.316 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@H]3C(C)C)CC2)cc1 ZINC000771964992 577242066 /nfs/dbraw/zinc/24/20/66/577242066.db2.gz BPPQXNYUTLECLC-RTBURBONSA-N 0 0 345.487 2.226 10 10 EECERN C[C@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1ccc(N(C)C)cc1 ZINC000775673102 577442482 /nfs/dbraw/zinc/44/24/82/577442482.db2.gz GFBCUDIGTHKPHL-NSHDSACASA-N 0 0 327.388 2.129 10 10 EECERN C[C@@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769857975 577585981 /nfs/dbraw/zinc/58/59/81/577585981.db2.gz BXAZVNONFGRIPL-LLVKDONJSA-N 0 0 326.418 2.168 10 10 EECERN CCOC(=O)CC[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000760885945 577671384 /nfs/dbraw/zinc/67/13/84/577671384.db2.gz LBEVLTXGXYEHGI-RYUDHWBXSA-N 0 0 338.404 2.493 10 10 EECERN CC(C)C[C@@H]1C(=O)N(Cc2ccc(N3CCOCC3)cc2)C(=O)N1C ZINC000761067404 577675445 /nfs/dbraw/zinc/67/54/45/577675445.db2.gz CMSFDTZBTKERRC-QGZVFWFLSA-N 0 0 345.443 2.332 10 10 EECERN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](Cc2ccccn2)C1=O ZINC000761578197 577686316 /nfs/dbraw/zinc/68/63/16/577686316.db2.gz VOTNZVDUOQMMBB-GUYCJALGSA-N 0 0 338.411 2.372 10 10 EECERN CCOC(=O)[C@H](Cc1ccccn1)NCc1ccc2c(c1)CCO2 ZINC000763477205 577721722 /nfs/dbraw/zinc/72/17/22/577721722.db2.gz FEVLTTFYBQQZBO-KRWDZBQOSA-N 0 0 326.396 2.281 10 10 EECERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cncnc1 ZINC000763985080 577729141 /nfs/dbraw/zinc/72/91/41/577729141.db2.gz FXLMUKKXZMYNSB-OAHLLOKOSA-N 0 0 340.427 2.075 10 10 EECERN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F ZINC000754026178 577798759 /nfs/dbraw/zinc/79/87/59/577798759.db2.gz NJHBBSGEKGDDCO-UHFFFAOYSA-N 0 0 332.335 2.464 10 10 EECERN CC[S@@](=O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745841914 577919514 /nfs/dbraw/zinc/91/95/14/577919514.db2.gz VIDXCKJJUHVCCF-HSZRJFAPSA-N 0 0 339.505 2.441 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NC1CCC(C(N)=O)CC1 ZINC000747584293 577946621 /nfs/dbraw/zinc/94/66/21/577946621.db2.gz UHEQPZCJTXQHIV-UHFFFAOYSA-N 0 0 333.432 2.358 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000747956892 577953036 /nfs/dbraw/zinc/95/30/36/577953036.db2.gz OMFJIYSZLYMQDT-OAHLLOKOSA-N 0 0 345.365 2.270 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCCCNC(=O)c1ccccc1 ZINC000750326670 577990469 /nfs/dbraw/zinc/99/04/69/577990469.db2.gz PQRHHTZKWAFDQX-UHFFFAOYSA-N 0 0 341.411 2.354 10 10 EECERN O=C(NCC[C@@H](O)C(F)(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000736654110 578216607 /nfs/dbraw/zinc/21/66/07/578216607.db2.gz YVZHYOFZEAGQKD-CQSZACIVSA-N 0 0 345.365 2.399 10 10 EECERN COC(=O)c1ccc(NCc2cc(Br)ccc2O)nn1 ZINC000804826670 675650394 /nfs/dbraw/zinc/65/03/94/675650394.db2.gz AGUXOERYCJPTHS-UHFFFAOYSA-N 0 0 338.161 2.343 10 10 EECERN CCOc1ccc(CN2CCc3nc(COC)ncc3C2)c(O)c1 ZINC000895415766 684592900 /nfs/dbraw/zinc/59/29/00/684592900.db2.gz SQZMBTCOHXEGEE-UHFFFAOYSA-N 0 0 329.400 2.286 10 10 EECERN CCN(CCC(N)=O)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000928819263 687491905 /nfs/dbraw/zinc/49/19/05/687491905.db2.gz SQLIHMWBOMRBNA-UHFFFAOYSA-N 0 0 327.428 2.361 10 10 EECERN CCOCCOCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897526145 690930228 /nfs/dbraw/zinc/93/02/28/690930228.db2.gz PSBVARVWZQSTAP-UHFFFAOYSA-N 0 0 339.413 2.438 10 10 EECERN C[C@H]1OCC[C@@]12CN(C(=O)c1cc3cc(O)c(O)cc3s1)CCO2 ZINC000897612599 691686316 /nfs/dbraw/zinc/68/63/16/691686316.db2.gz BUSCBOVCAABJGH-BMLIUANNSA-N 0 0 349.408 2.333 10 10 EECERN O=C(N[C@@H]1CCN(CC(F)F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897991869 691847528 /nfs/dbraw/zinc/84/75/28/691847528.db2.gz MRRXROFGZNDFAN-SECBINFHSA-N 0 0 342.367 2.382 10 10 EECERN CCN(CC)c1ccc(C=Cc2ncc(C(=O)NC)c(=O)[nH]2)cc1F ZINC000095399626 692065032 /nfs/dbraw/zinc/06/50/32/692065032.db2.gz YRLDEWGMPKIITG-VQHVLOKHSA-N 0 0 344.390 2.285 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000898720390 693427392 /nfs/dbraw/zinc/42/73/92/693427392.db2.gz IVQYEPQXGDXXHY-GXSJLCMTSA-N 0 0 346.408 2.053 10 10 EECERN Cc1ccc(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)c(O)c1O ZINC001648912843 1177321199 /nfs/dbraw/zinc/32/11/99/1177321199.db2.gz YXDQQZPNFSRDMI-LLVKDONJSA-N 0 0 327.336 2.170 10 10 EECERN CCN(C)C(=O)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001745878290 1185690890 /nfs/dbraw/zinc/69/08/90/1185690890.db2.gz GOEMIEJGCDIBPC-UHFFFAOYSA-N 0 0 345.447 2.222 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000811951530 1200422977 /nfs/dbraw/zinc/42/29/77/1200422977.db2.gz JEFCQMFDTGDBDE-AWEZNQCLSA-N 0 0 327.432 2.141 10 10 EECERN NC(=O)N[C@H](CC(=O)N1Cc2cccc(O)c2C1)c1cccs1 ZINC000871198297 1201095663 /nfs/dbraw/zinc/09/56/63/1201095663.db2.gz GJMFKGZWEBDXQB-GFCCVEGCSA-N 0 0 331.397 2.096 10 10 EECERN COc1ccc(O)c([C@H](C)NCc2nnc(C3CCOCC3)[nH]2)c1 ZINC000866441724 1201519122 /nfs/dbraw/zinc/51/91/22/1201519122.db2.gz SEDMBHIYQAPPAW-NSHDSACASA-N 0 0 332.404 2.264 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)nn2)cc1 ZINC000866538996 1201543796 /nfs/dbraw/zinc/54/37/96/1201543796.db2.gz YWFJMMIHXZYMDE-UHFFFAOYSA-N 0 0 334.445 2.110 10 10 EECERN CC(C)(C)OCCCN1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000882330130 1201852815 /nfs/dbraw/zinc/85/28/15/1201852815.db2.gz NBFWLTQXHCPXJA-UHFFFAOYSA-N 0 0 326.462 2.417 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3ccnn3C)C2)cc1 ZINC000868763012 1201874360 /nfs/dbraw/zinc/87/43/60/1201874360.db2.gz YKLNNJLUZJNPTL-ZIAGYGMSSA-N 0 0 343.431 2.068 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c(C)n1-c1ccccn1 ZINC000133082470 1202167076 /nfs/dbraw/zinc/16/70/76/1202167076.db2.gz ZQEISKNHTPORHD-GJZGRUSLSA-N 0 0 340.427 2.263 10 10 EECERN Cc1cc(C(=O)NCC[C@H](C)[S@](C)=O)c(C)n1-c1ccccn1 ZINC000134764069 1202323963 /nfs/dbraw/zinc/32/39/63/1202323963.db2.gz CTPWVGNXNNUKTC-ZAMGYDSWSA-N 0 0 333.457 2.376 10 10 EECERN COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000889248690 1204595372 /nfs/dbraw/zinc/59/53/72/1204595372.db2.gz AFWWYFBIYCWJLF-FRFSOERESA-N 0 0 347.459 2.100 10 10 EECERN Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(c3ccccc3)C2)c(O)c1O ZINC000927242050 1206247211 /nfs/dbraw/zinc/24/72/11/1206247211.db2.gz ZJWVGBNGQLQBQY-QRWLVFNGSA-N 0 0 339.391 2.446 10 10 EECERN COc1nnc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000930211330 1206541796 /nfs/dbraw/zinc/54/17/96/1206541796.db2.gz SWXGFZZPYOJQSR-GFCCVEGCSA-N 0 0 334.445 2.234 10 10 EECERN O=C(CN(Cc1cc(F)ccc1O)C[C@H]1CCCO1)N1CCCC1 ZINC000779022801 1208444313 /nfs/dbraw/zinc/44/43/13/1208444313.db2.gz HATUWFOZKPDFCK-MRXNPFEDSA-N 0 0 336.407 2.135 10 10 EECERN CN(Cc1ccccc1O)C(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1 ZINC000901052228 1235164338 /nfs/dbraw/zinc/16/43/38/1235164338.db2.gz HVTTZZNTFKLWHI-SFHVURJKSA-N 0 0 335.400 2.242 10 10 EECERN COc1ccc(N2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)cc1 ZINC001137386537 1247883805 /nfs/dbraw/zinc/88/38/05/1247883805.db2.gz GTJPNFJXAYWPME-UHFFFAOYSA-N 0 0 328.416 2.045 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2nnn(C(C)(C)C)n2)cc1F ZINC000826940553 1248167361 /nfs/dbraw/zinc/16/73/61/1248167361.db2.gz DFMDQJYTHYEXBB-UHFFFAOYSA-N 0 0 348.426 2.343 10 10 EECERN C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000850518200 1277256673 /nfs/dbraw/zinc/25/66/73/1277256673.db2.gz CMLOPNJTIKLYTO-ZETCQYMHSA-N 0 0 347.305 2.298 10 10 EECERN C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850563508 1277267549 /nfs/dbraw/zinc/26/75/49/1277267549.db2.gz ZCLJRSHJALVKDV-OCCSQVGLSA-N 0 0 348.403 2.241 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000851986712 1291943214 /nfs/dbraw/zinc/94/32/14/1291943214.db2.gz FROLCXZACCAFFA-FUHWJXTLSA-N 0 0 349.475 2.384 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[C@H]3OC)C2)cc1 ZINC000852239135 1292057359 /nfs/dbraw/zinc/05/73/59/1292057359.db2.gz KXTAHMGUFHXTGP-RVKKMQEKSA-N 0 0 347.459 2.388 10 10 EECERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000852261001 1292070094 /nfs/dbraw/zinc/07/00/94/1292070094.db2.gz ILZFQGQQKGYFRI-DUVNUKRYSA-N 0 0 333.432 2.407 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@](C)(OC)C3CC3)C2)cc1 ZINC000852349761 1292095669 /nfs/dbraw/zinc/09/56/69/1292095669.db2.gz PXQUVEXITXUUBC-DNVCBOLYSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CO)C3CCCC3)C2)cc1 ZINC000852448937 1292116700 /nfs/dbraw/zinc/11/67/00/1292116700.db2.gz ODTYQRFLYKECDE-CRAIPNDOSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCSC[C@@H]3C)C2)cc1 ZINC000852452646 1292117594 /nfs/dbraw/zinc/11/75/94/1292117594.db2.gz BURQICWHPDTRSO-KBPBESRZSA-N 0 0 335.473 2.421 10 10 EECERN CCC(CC)[C@@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852452676 1292117844 /nfs/dbraw/zinc/11/78/44/1292117844.db2.gz BXHZRFMVIDPRDW-YJBOKZPZSA-N 0 0 349.475 2.370 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)c1cc(CO)c(F)cn1 ZINC000853096055 1292279628 /nfs/dbraw/zinc/27/96/28/1292279628.db2.gz LRSKYWFVWARMQA-UHFFFAOYSA-N 0 0 331.391 2.186 10 10 EECERN COc1ccc(N2CCCN(c3cc(CO)c(F)cn3)CC2)cc1 ZINC000853215138 1292322393 /nfs/dbraw/zinc/32/23/93/1292322393.db2.gz OFQJCECGKHTQEI-UHFFFAOYSA-N 0 0 331.391 2.438 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)c2nc(COC)nn2C)cc1 ZINC000853798627 1292457587 /nfs/dbraw/zinc/45/75/87/1292457587.db2.gz HGJFOKHSOTZIOM-UHFFFAOYSA-N 0 0 345.447 2.080 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)CCCO)C2)cc1 ZINC000853953885 1292551286 /nfs/dbraw/zinc/55/12/86/1292551286.db2.gz UTGBBPAHKNSLAZ-HNNXBMFYSA-N 0 0 349.475 2.372 10 10 EECERN CCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCCOC1 ZINC000854296343 1292708400 /nfs/dbraw/zinc/70/84/00/1292708400.db2.gz IJIJJRCGHCXHHH-RDJZCZTQSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](CO)CC3)C2)cc1 ZINC000854296704 1292708420 /nfs/dbraw/zinc/70/84/20/1292708420.db2.gz GGGCOQSERDEBQQ-HZPDHXFCSA-N 0 0 347.459 2.078 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@]3(C)CCO[C@H]3C)C2)cc1 ZINC000854298352 1292710299 /nfs/dbraw/zinc/71/02/99/1292710299.db2.gz AZKIDRDJUCCGKB-DEYYWGMASA-N 0 0 333.432 2.141 10 10 EECERN CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302059 1292712036 /nfs/dbraw/zinc/71/20/36/1292712036.db2.gz XLYNFLJHMIGLNY-QMTMVMCOSA-N 0 0 349.475 2.370 10 10 EECERN CCN(C[C@@H]1CCOC1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302355 1292712597 /nfs/dbraw/zinc/71/25/97/1292712597.db2.gz ZJCNNSCTQNEZJR-JKSUJKDBSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCOCC(F)(F)F)C2)cc1 ZINC000855231171 1293121883 /nfs/dbraw/zinc/12/18/83/1293121883.db2.gz HUCSHJXKEKPKPR-LBPRGKRZSA-N 0 0 346.349 2.359 10 10 EECERN O=S1(=O)Cc2ccccc2[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000857060897 1293709863 /nfs/dbraw/zinc/70/98/63/1293709863.db2.gz FUWOFRVKLRTNGH-QGZVFWFLSA-N 0 0 329.421 2.381 10 10 EECERN COc1ccc(CNC(=O)c2cc(N3CCCCC3)ncn2)c(O)c1 ZINC000857199272 1293755785 /nfs/dbraw/zinc/75/57/85/1293755785.db2.gz JCWKJDPYKNEZAN-UHFFFAOYSA-N 0 0 342.399 2.111 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCc2cnn(CC)n2)cc1F ZINC000858207110 1294045160 /nfs/dbraw/zinc/04/51/60/1294045160.db2.gz OBVJNAAPJFAUCZ-UHFFFAOYSA-N 0 0 348.426 2.283 10 10 EECERN C[C@@H](NC(c1ccnn1C)c1ccnn1C)c1cc(F)ccc1O ZINC000858583936 1294160079 /nfs/dbraw/zinc/16/00/79/1294160079.db2.gz NSUIBIAPBJMUFJ-LLVKDONJSA-N 0 0 329.379 2.439 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1OC ZINC000858794669 1294228669 /nfs/dbraw/zinc/22/86/69/1294228669.db2.gz RDWXUERJWRQGJX-GEDWGEIESA-N 0 0 340.401 2.102 10 10 EECERN CC1(C)C[C@H](S(=O)(=O)NCCCSc2nccs2)CO1 ZINC000858980568 1294283172 /nfs/dbraw/zinc/28/31/72/1294283172.db2.gz MTWSAXFCXAVZJK-JTQLQIEISA-N 0 0 336.504 2.112 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000861478557 1295419285 /nfs/dbraw/zinc/41/92/85/1295419285.db2.gz MQUKCXGGLHLJTN-RUYXUALKSA-N 0 0 338.407 2.210 10 10 EECERN Oc1cccc(Br)c1CN1CCOC[C@H]1c1ncon1 ZINC000862305381 1295790684 /nfs/dbraw/zinc/79/06/84/1295790684.db2.gz ZGGAQDNXICQFPG-NSHDSACASA-N 0 0 340.177 2.111 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)c1 ZINC000862758556 1295953746 /nfs/dbraw/zinc/95/37/46/1295953746.db2.gz CRRKCSUVTIDBML-QGZVFWFLSA-N 0 0 341.411 2.166 10 10 EECERN Cc1cc(C(=O)CN2C[C@@H](O)C3(CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC001117756366 1306162938 /nfs/dbraw/zinc/16/29/38/1306162938.db2.gz BSHXKWOAHXXBGR-QGZVFWFLSA-N 0 0 343.402 2.268 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCO[C@]3(CCSC3)C2)cc1OC ZINC001118186153 1306309912 /nfs/dbraw/zinc/30/99/12/1306309912.db2.gz COAYQSNPUZGEKZ-OAHLLOKOSA-N 0 0 340.401 2.324 10 10 EECERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917136 1315258990 /nfs/dbraw/zinc/25/89/90/1315258990.db2.gz ACJZZSKJUCXGHP-GUYCJALGSA-N 0 0 349.500 2.030 10 10 EECERN Cc1cc(Br)c(O)c(CN2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000840980346 1315450851 /nfs/dbraw/zinc/45/08/51/1315450851.db2.gz XCYJJUJPIGWBAX-GXFFZTMASA-N 0 0 330.222 2.045 10 10 EECERN Nc1ccc(NC(=O)C(=O)NCc2ccccc2OC2CCC2)cc1 ZINC000841041403 1315461286 /nfs/dbraw/zinc/46/12/86/1315461286.db2.gz FBJOWRLJMQPJBM-UHFFFAOYSA-N 0 0 339.395 2.455 10 10 EECERN Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000841085823 1315471740 /nfs/dbraw/zinc/47/17/40/1315471740.db2.gz BWWDCTOBHVGRLS-MRXNPFEDSA-N 0 0 331.416 2.015 10 10 EECERN COc1c(O)c(CN2CCO[C@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000843418107 1315911373 /nfs/dbraw/zinc/91/13/73/1315911373.db2.gz QJWODWPCOHKLCZ-OAHLLOKOSA-N 0 0 340.401 2.017 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)c1cccnc1OCCO ZINC001157049629 1318370572 /nfs/dbraw/zinc/37/05/72/1318370572.db2.gz AZAQSHKUTYAYOH-UHFFFAOYSA-N 0 0 338.363 2.242 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC001256885780 1318886696 /nfs/dbraw/zinc/88/66/96/1318886696.db2.gz JTESTMBPUPWRCW-ZDUSSCGKSA-N 0 0 339.386 2.063 10 10 EECERN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cccc(O)c1O ZINC001294094683 1328884369 /nfs/dbraw/zinc/88/43/69/1328884369.db2.gz NLDLTLFAKBENDB-UHFFFAOYSA-N 0 0 330.340 2.061 10 10 EECERN O=C(Cn1nc(C(F)F)cc1C(F)F)NCc1cccc(O)c1O ZINC001263896194 1322549140 /nfs/dbraw/zinc/54/91/40/1322549140.db2.gz RHNZLSOKFUOHPL-UHFFFAOYSA-N 0 0 347.268 2.486 10 10 EECERN CC(C)CC(=O)N[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001281015788 1324718183 /nfs/dbraw/zinc/71/81/83/1324718183.db2.gz OSYMPAOARORPJX-LBPRGKRZSA-N 0 0 347.419 2.472 10 10 EECERN CC[C@@H](C)C(=O)NC[C@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285835401 1327173475 /nfs/dbraw/zinc/17/34/75/1327173475.db2.gz WVXOJJYXPOJLKB-BXUZGUMPSA-N 0 0 345.403 2.226 10 10 EECERN CC(C)CC(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295538000 1329819938 /nfs/dbraw/zinc/81/99/38/1329819938.db2.gz DOBAMEZOHYRQCE-NSHDSACASA-N 0 0 333.392 2.130 10 10 EECERN C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1ccccc1O ZINC001302530128 1331328694 /nfs/dbraw/zinc/32/86/94/1331328694.db2.gz AYUDESPMADGWPT-PWSUYJOCSA-N 0 0 333.413 2.431 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1CCc1nccnc1C ZINC001304717093 1331393976 /nfs/dbraw/zinc/39/39/76/1331393976.db2.gz KGZWQVVGZJBEHT-UHFFFAOYSA-N 0 0 338.415 2.270 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001324135129 1333616300 /nfs/dbraw/zinc/61/63/00/1333616300.db2.gz ADHPGQJJCZNCMW-SCAQPMJSSA-N 0 0 330.428 2.436 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CSC1(C)C ZINC001324882479 1333780026 /nfs/dbraw/zinc/78/00/26/1333780026.db2.gz JMEFLGCTTPMRFZ-CQSZACIVSA-N 0 0 336.457 2.141 10 10 EECERN COC1(C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])CCC1 ZINC001326704682 1334146420 /nfs/dbraw/zinc/14/64/20/1334146420.db2.gz OYWJMXFGPDZSRR-KRWDZBQOSA-N 0 0 348.443 2.025 10 10 EECERN COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])cc1C ZINC001329016860 1334568935 /nfs/dbraw/zinc/56/89/35/1334568935.db2.gz USMYEGIFLVJBGP-NEPJUHHUSA-N 0 0 346.431 2.037 10 10 EECERN CC(C)N(Cc1ccccn1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329408877 1334644155 /nfs/dbraw/zinc/64/41/55/1334644155.db2.gz DMVCAXYQVPAMLO-UHFFFAOYSA-N 0 0 339.395 2.067 10 10 EECERN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329422099 1334646784 /nfs/dbraw/zinc/64/67/84/1334646784.db2.gz JCYQESQQYCMCDT-IOASZLSFSA-N 0 0 328.412 2.414 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001331664673 1335054979 /nfs/dbraw/zinc/05/49/79/1335054979.db2.gz IXLCZPHWBBHORE-JCGIZDLHSA-N 0 0 343.471 2.372 10 10 EECERN CN1CCCc2cc(CNC(=O)C(=O)NCC(C)(C)C3CC3)ccc21 ZINC001333835473 1336145536 /nfs/dbraw/zinc/14/55/36/1336145536.db2.gz MJXYKNQKBQWIKU-UHFFFAOYSA-N 0 0 343.471 2.238 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ncc(Br)cn2)cc1 ZINC001348909116 1337586572 /nfs/dbraw/zinc/58/65/72/1337586572.db2.gz FKCBTACBGUOHAM-UHFFFAOYSA-N 0 0 335.205 2.235 10 10 EECERN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC001357199641 1338971004 /nfs/dbraw/zinc/97/10/04/1338971004.db2.gz DXSVEPQLWZBIMQ-UHFFFAOYSA-N 0 0 332.335 2.433 10 10 EECERN Cc1noc(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001611447725 1352300733 /nfs/dbraw/zinc/30/07/33/1352300733.db2.gz DRTBEGRKZLERMS-UHFFFAOYSA-N 0 0 333.369 2.367 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1 ZINC001626217213 1352321926 /nfs/dbraw/zinc/32/19/26/1352321926.db2.gz LLAOYMQTOORKKH-UHFFFAOYSA-N 0 0 325.328 2.218 10 10 EECERN CO[C@@]1(C(F)(F)F)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001616456714 1352328826 /nfs/dbraw/zinc/32/88/26/1352328826.db2.gz FONMUJZBKLNOJZ-AWEZNQCLSA-N 0 0 333.306 2.210 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC001617151110 1352337068 /nfs/dbraw/zinc/33/70/68/1352337068.db2.gz DMUWXNGRUABTQR-AWEZNQCLSA-N 0 0 343.387 2.076 10 10 EECERN Cn1cc(Cl)c(CNC(=O)NCc2cc(Cl)ccc2O)n1 ZINC001672856524 1356599578 /nfs/dbraw/zinc/59/95/78/1356599578.db2.gz QKHLPQQEHFQWQQ-UHFFFAOYSA-N 0 0 329.187 2.432 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc(N2CCCC2=O)cc1 ZINC001557084724 1342440524 /nfs/dbraw/zinc/44/05/24/1342440524.db2.gz MADRPTHTLOLPRI-UHFFFAOYSA-N 0 0 326.352 2.155 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc(-n2cccn2)c(F)c1 ZINC001557084541 1342440647 /nfs/dbraw/zinc/44/06/47/1342440647.db2.gz DLDGIXNSNFNQRK-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN CC(C)NC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001558533403 1342480879 /nfs/dbraw/zinc/48/08/79/1342480879.db2.gz FJPGZRKZUBXJBV-UHFFFAOYSA-N 0 0 328.368 2.166 10 10 EECERN Cn1c(CCCNC(=O)Cc2ccc(O)c(O)c2)nc2ccccc21 ZINC001565717229 1342560361 /nfs/dbraw/zinc/56/03/61/1342560361.db2.gz RQATZKVHWWZHKS-UHFFFAOYSA-N 0 0 339.395 2.276 10 10 EECERN Cc1cnc(CN(C)CCNC(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001567321799 1342739491 /nfs/dbraw/zinc/73/94/91/1342739491.db2.gz GCNYVLABWCCDPG-UHFFFAOYSA-N 0 0 344.375 2.007 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1 ZINC001587459621 1348863134 /nfs/dbraw/zinc/86/31/34/1348863134.db2.gz DEGISUIWEDWNRN-CVEARBPZSA-N 0 0 331.460 2.393 10 10 EECERN CC(=O)Nc1cccnc1C(=O)NCc1ccc2cccnc2c1O ZINC001627072961 1352481772 /nfs/dbraw/zinc/48/17/72/1352481772.db2.gz JHGSDHPWUZMCOJ-UHFFFAOYSA-N 0 0 336.351 2.224 10 10 EECERN COC(=O)c1coc(/C=C\C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001632680805 1352600941 /nfs/dbraw/zinc/60/09/41/1352600941.db2.gz FUKIBVITXAQPEI-QZPNVGJNSA-N 0 0 345.351 2.238 10 10 EECERN Cc1nnc(-c2ccc(C(=O)NCc3ccc(O)cc3O)cc2)o1 ZINC001638351867 1352687772 /nfs/dbraw/zinc/68/77/72/1352687772.db2.gz GKAFAYHJWOAKKX-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN CCOC(=O)[C@@H](CC)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001644225321 1352760249 /nfs/dbraw/zinc/76/02/49/1352760249.db2.gz GGERCIPNFNXAHH-OAHLLOKOSA-N 0 0 336.432 2.168 10 10 EECERN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1c(O)cccc1O ZINC001645363090 1352776941 /nfs/dbraw/zinc/77/69/41/1352776941.db2.gz MGUQYTDSUHGFFF-UHFFFAOYSA-N 0 0 331.397 2.292 10 10 EECERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001645361147 1352777086 /nfs/dbraw/zinc/77/70/86/1352777086.db2.gz YXDYFIJLZCEMEW-ZDUSSCGKSA-N 0 0 334.416 2.141 10 10 EECERN Cc1nnc(-c2cccc(C(=O)NCc3c(O)cccc3O)c2)o1 ZINC001645363027 1352777323 /nfs/dbraw/zinc/77/73/23/1352777323.db2.gz JQQRQKXEUQKSQQ-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN CCOC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)nc1C ZINC001652295687 1354085686 /nfs/dbraw/zinc/08/56/86/1354085686.db2.gz PBCLSCZIWBBVDC-UHFFFAOYSA-N 0 0 332.331 2.341 10 10 EECERN CCN(CC)C(=O)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001685008696 1358295656 /nfs/dbraw/zinc/29/56/56/1358295656.db2.gz XZJPGQUWPDSAGW-UHFFFAOYSA-N 0 0 346.475 2.297 10 10 EECERN Cc1nn(C)c(Cl)c1CN(C)C(=O)c1c(F)ccc(O)c1O ZINC000846642064 790302571 /nfs/dbraw/zinc/30/25/71/790302571.db2.gz AWAVLUPRXGLARC-UHFFFAOYSA-N 0 0 327.743 2.204 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccnc1-n1ccnc1 ZINC000588405393 759563820 /nfs/dbraw/zinc/56/38/20/759563820.db2.gz KVPKFAOGJBPJGC-XQRVVYSFSA-N 0 0 336.351 2.008 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1OC ZINC000067984687 774080071 /nfs/dbraw/zinc/08/00/71/774080071.db2.gz KSNINFAXUZIDGZ-HOTGVXAUSA-N 0 0 348.443 2.310 10 10 EECERN C[C@H]1CCCN(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000028083705 778550528 /nfs/dbraw/zinc/55/05/28/778550528.db2.gz MRPFUTYEOKJAPZ-AWEZNQCLSA-N 0 0 325.478 2.161 10 10 EECERN COc1ccc(CNC(=O)[C@@H](NCC(F)(F)F)C(C)C)c(O)c1 ZINC000846950684 790769432 /nfs/dbraw/zinc/76/94/32/790769432.db2.gz QNUDMVJHVFZXPN-ZDUSSCGKSA-N 0 0 334.338 2.194 10 10 EECERN Cn1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C2CCCC2)n1 ZINC000907057514 784355782 /nfs/dbraw/zinc/35/57/82/784355782.db2.gz OTMUGDJRLDUOEE-UHFFFAOYSA-N 0 0 329.400 2.461 10 10 EECERN C[C@@H](NC(=O)c1cccc(O)c1O)c1ncc(Br)cn1 ZINC000817272124 784648323 /nfs/dbraw/zinc/64/83/23/784648323.db2.gz IYGMPFBSZSCZEW-SSDOTTSWSA-N 0 0 338.161 2.141 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccncc3F)C2)cc1 ZINC000822276749 787106538 /nfs/dbraw/zinc/10/65/38/787106538.db2.gz IFUUPIURWDQKRK-LBPRGKRZSA-N 0 0 330.363 2.052 10 10 EECERN CCC/C=C\[C@H](O)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000911304583 787367555 /nfs/dbraw/zinc/36/75/55/787367555.db2.gz VCJVUORBMDWVSW-BCTQVIJGSA-N 0 0 335.400 2.001 10 10 EECERN C/C(=C/C(=O)N1C[C@@H](CO)Cc2cccc(F)c21)c1cnccn1 ZINC000911686728 787637226 /nfs/dbraw/zinc/63/72/26/787637226.db2.gz OWIQPUHEHULZLS-OTAKNEKHSA-N 0 0 327.359 2.217 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N(C)C[C@H]3CCCO3)C2)cc1 ZINC000823725358 787911335 /nfs/dbraw/zinc/91/13/35/787911335.db2.gz BGMRJMOBUUILHU-CRAIPNDOSA-N 0 0 347.459 2.342 10 10 EECERN CC(C)(C)n1nnc(C(=O)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000824261761 788111908 /nfs/dbraw/zinc/11/19/08/788111908.db2.gz LDUDOHLMIGDOIL-UHFFFAOYSA-N 0 0 342.447 2.348 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@](C)(CO)C(C)C)C2)cc1 ZINC000824685953 788273849 /nfs/dbraw/zinc/27/38/49/788273849.db2.gz JMCJKPHBAVEMSN-HNAYVOBHSA-N 0 0 349.475 2.228 10 10 EECERN Cc1cc(CNC(=O)[C@@H](O)C(C)(C)O)c(C)n1-c1cccc(C)c1 ZINC000913167088 788675616 /nfs/dbraw/zinc/67/56/16/788675616.db2.gz MBDJPYLLADACFA-QGZVFWFLSA-N 0 0 330.428 2.151 10 10 EECERN CCn1nc(C)cc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844853423 789428686 /nfs/dbraw/zinc/42/86/86/789428686.db2.gz HPWAXXXVUPYTQI-UHFFFAOYSA-N 0 0 330.432 2.428 10 10 EECERN C[C@@H](CCNC(=O)NCc1c(O)ccc2c1CCCC2)[S@@](C)=O ZINC000165679344 789539901 /nfs/dbraw/zinc/53/99/01/789539901.db2.gz NDMKUAHBSAZOJD-MYODQAERSA-N 0 0 338.473 2.227 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000845451848 789804564 /nfs/dbraw/zinc/80/45/64/789804564.db2.gz PZPQVEGZTFBRPX-IYBDPMFKSA-N 0 0 344.459 2.082 10 10 EECERN O=S(=O)(NCc1cc(Cl)ccc1O)c1cnn(CC2CC2)c1 ZINC000845995394 790028023 /nfs/dbraw/zinc/02/80/23/790028023.db2.gz AAAYSAAJVQNKIS-UHFFFAOYSA-N 0 0 341.820 2.131 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2ncc(C)cc2O)cc1 ZINC000846442300 790157892 /nfs/dbraw/zinc/15/78/92/790157892.db2.gz MTLVGTLRPQHZMU-UHFFFAOYSA-N 0 0 329.400 2.313 10 10 EECERN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NCc1ccccc1O ZINC000915517918 796298940 /nfs/dbraw/zinc/29/89/40/796298940.db2.gz LVHJTRSGULSJPQ-TZMCWYRMSA-N 0 0 349.431 2.447 10 10 EECERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1c(O)cccc1O ZINC001178905063 799693341 /nfs/dbraw/zinc/69/33/41/799693341.db2.gz FGHBIDFQCMDAMM-SNVBAGLBSA-N 0 0 348.786 2.186 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001179220838 799823312 /nfs/dbraw/zinc/82/33/12/799823312.db2.gz FDJQGZKWYUVXEG-YUELXQCFSA-N 0 0 334.441 2.160 10 10 EECERN CC(C)OC(=O)CC[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000922272093 800183638 /nfs/dbraw/zinc/18/36/38/800183638.db2.gz MRFZVYUSWFDOLO-NSHDSACASA-N 0 0 326.368 2.451 10 10 EECERN COCCN(Cc1scnc1C)C(=O)c1ccc(C)c(O)c1O ZINC000787688154 807192892 /nfs/dbraw/zinc/19/28/92/807192892.db2.gz ZDRUIPMJCQRMLI-UHFFFAOYSA-N 0 0 336.413 2.460 10 10 EECERN C[C@@H]1C[C@@H](C)N1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000792041624 809573918 /nfs/dbraw/zinc/57/39/18/809573918.db2.gz YTFRGWDHQOBLBU-CHWSQXEVSA-N 0 0 335.423 2.479 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H](C)c1nccn1C ZINC000805185439 811175623 /nfs/dbraw/zinc/17/56/23/811175623.db2.gz WJEFFESBNMAJGX-AWEZNQCLSA-N 0 0 330.432 2.189 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1 ZINC000808495545 812665885 /nfs/dbraw/zinc/66/58/85/812665885.db2.gz LRTZOOLIUKFARB-UHFFFAOYSA-N 0 0 339.347 2.183 10 10 EECERN COC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)C(C)=O)cc2)cc1 ZINC000808507323 812679260 /nfs/dbraw/zinc/67/92/60/812679260.db2.gz ICTNYQQDTHLGPT-UHFFFAOYSA-N 0 0 340.331 2.455 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(COc2ccc(C)nc2)c1 ZINC000808517589 812688171 /nfs/dbraw/zinc/68/81/71/812688171.db2.gz HVTMQAKUUCVPNN-UHFFFAOYSA-N 0 0 327.336 2.284 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000808500315 812695610 /nfs/dbraw/zinc/69/56/10/812695610.db2.gz YAOQIGDHPAIIHO-UHFFFAOYSA-N 0 0 338.319 2.447 10 10 EECERN CCOc1nc2cc(C(=O)NCc3ccc(O)cc3O)ccc2[nH]1 ZINC001451772423 1097918146 /nfs/dbraw/zinc/91/81/46/1097918146.db2.gz VSVNASUNCLEXMI-UHFFFAOYSA-N 0 0 327.340 2.303 10 10 EECERN COCc1ncsc1C(=O)NCc1ccc2cccnc2c1O ZINC001451953042 1098054923 /nfs/dbraw/zinc/05/49/23/1098054923.db2.gz KQNODUHLRCBGHI-UHFFFAOYSA-N 0 0 329.381 2.473 10 10 EECERN CC[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H]1C ZINC001448027070 1103829717 /nfs/dbraw/zinc/82/97/17/1103829717.db2.gz SRZQDZUABRVAML-QWRGUYRKSA-N 0 0 326.418 2.024 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3cn(C)nn3)C2)cc1OC ZINC001458709263 1109943858 /nfs/dbraw/zinc/94/38/58/1109943858.db2.gz YISHLYVUOVDZEX-NSHDSACASA-N 0 0 347.375 2.125 10 10 EECERN CC(F)(F)CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001460833385 1110325424 /nfs/dbraw/zinc/32/54/24/1110325424.db2.gz GLUGQVBEMKZNSQ-UHFFFAOYSA-N 0 0 339.430 2.296 10 10 EECERN CCN1CC[C@@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001464311888 1110391420 /nfs/dbraw/zinc/39/14/20/1110391420.db2.gz WMYMVBIOTVIBJR-QWQRMKEZSA-N 0 0 349.450 2.150 10 10 EECERN CCO[C@H]1[C@H](C(=O)N2CCCN(c3ccc(OC)cc3)CC2)[C@@H]1C ZINC001464353524 1110392165 /nfs/dbraw/zinc/39/21/65/1110392165.db2.gz ZYLPZSZTNDQSFS-BMGDILEWSA-N 0 0 332.444 2.405 10 10 EECERN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001465758739 1110423382 /nfs/dbraw/zinc/42/33/82/1110423382.db2.gz XWRRVTFIKVOVDY-QGZVFWFLSA-N 0 0 329.352 2.013 10 10 EECERN CC[C@@](NC(=O)Cc1ccc(O)c(O)c1)(C(=O)OC)c1ccccc1 ZINC001467935084 1110466320 /nfs/dbraw/zinc/46/63/20/1110466320.db2.gz JEJQSDXCKWVCTQ-IBGZPJMESA-N 0 0 343.379 2.235 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC001471975739 1110537115 /nfs/dbraw/zinc/53/71/15/1110537115.db2.gz FVGIANHCLNZOPQ-BLLLJJGKSA-N 0 0 329.327 2.452 10 10 EECERN CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1[C@H]1C[C@@H]1C ZINC001509600989 1115869161 /nfs/dbraw/zinc/86/91/61/1115869161.db2.gz XJRMPSFGNGXLTL-JSGCOSHPSA-N 0 0 343.431 2.339 10 10 EECERN COC(=O)CC1(CNC(=O)NCc2c(O)cccc2F)CCCC1 ZINC001521249658 1119229981 /nfs/dbraw/zinc/22/99/81/1119229981.db2.gz MOBKLOQNCLYOJA-UHFFFAOYSA-N 0 0 338.379 2.454 10 10 EECERN CCN1CCc2nc(NC(=O)Cc3ccc(O)c(O)c3)sc2C1 ZINC001540514489 1124085431 /nfs/dbraw/zinc/08/54/31/1124085431.db2.gz XTIUXGBHYCMBJZ-UHFFFAOYSA-N 0 0 333.413 2.114 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cc(OC)ncn2)cc1F ZINC001543251460 1124125805 /nfs/dbraw/zinc/12/58/05/1124125805.db2.gz PLGDIPLFBDASTE-UHFFFAOYSA-N 0 0 332.379 2.401 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCn2ncnc21 ZINC001545639274 1124200200 /nfs/dbraw/zinc/20/02/00/1124200200.db2.gz IRONFDNLLKEIDI-CQSZACIVSA-N 0 0 326.400 2.056 10 10 EECERN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1nnc2n1CCCCC2 ZINC000360203856 533442611 /nfs/dbraw/zinc/44/26/11/533442611.db2.gz VSKWOHKYDIVLNX-LLVKDONJSA-N 0 0 331.376 2.469 10 10 EECERN Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1ccccc1F ZINC000065902553 462838553 /nfs/dbraw/zinc/83/85/53/462838553.db2.gz YNCPZHDTCJIXHC-UHFFFAOYSA-N 0 0 329.375 2.195 10 10 EECERN C[C@@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000071796092 463425632 /nfs/dbraw/zinc/42/56/32/463425632.db2.gz VVJCHPWLNLPPQZ-CRAIPNDOSA-N 0 0 347.459 2.405 10 10 EECERN O=C(NCc1ccc(N2CCNC(=O)C2)cc1)c1ccc(Cl)cc1 ZINC000040519958 463460645 /nfs/dbraw/zinc/46/06/45/463460645.db2.gz JIKFZYSEFBJQIJ-UHFFFAOYSA-N 0 0 343.814 2.206 10 10 EECERN Nc1ccc(CC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000262637464 464035918 /nfs/dbraw/zinc/03/59/18/464035918.db2.gz PYIKPRKAUAVJAM-CQSZACIVSA-N 0 0 326.400 2.478 10 10 EECERN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])CC2 ZINC000187794503 464162979 /nfs/dbraw/zinc/16/29/79/464162979.db2.gz BRPDGXBWVAHXAC-NXEZZACHSA-N 0 0 338.358 2.074 10 10 EECERN C[C@H]1OCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000189000501 464411834 /nfs/dbraw/zinc/41/18/34/464411834.db2.gz UNEFFAVCVZQSOC-UKRRQHHQSA-N 0 0 336.407 2.094 10 10 EECERN CCC(=O)N1CSC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174523113 464418924 /nfs/dbraw/zinc/41/89/24/464418924.db2.gz IDLSPGLVJOQSAS-OAHLLOKOSA-N 0 0 348.468 2.199 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccnn2CC(F)(F)F)cc1 ZINC000294531219 464528234 /nfs/dbraw/zinc/52/82/34/464528234.db2.gz UMLZSJMDDLYGGW-UHFFFAOYSA-N 0 0 326.322 2.441 10 10 EECERN Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c(O)c1O ZINC000182614554 464693965 /nfs/dbraw/zinc/69/39/65/464693965.db2.gz XKWHXUIGZPMRIQ-CQSZACIVSA-N 0 0 346.427 2.317 10 10 EECERN CCn1c(C)nnc1CN(CCOC)c1ccc(OC)c(OC)c1 ZINC000177130963 464938425 /nfs/dbraw/zinc/93/84/25/464938425.db2.gz BSTDTDYMQKIRLM-UHFFFAOYSA-N 0 0 334.420 2.277 10 10 EECERN COCCN(Cc1nnc(C2CC2)n1C)c1ccc(OC)c(OC)c1 ZINC000177130554 464939347 /nfs/dbraw/zinc/93/93/47/464939347.db2.gz PIYSZJVMANKCLG-UHFFFAOYSA-N 0 0 346.431 2.363 10 10 EECERN CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1 ZINC000367698421 466499353 /nfs/dbraw/zinc/49/93/53/466499353.db2.gz FFVCSGQFMAYDSR-UHFFFAOYSA-N 0 0 345.472 2.455 10 10 EECERN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@H]1CCNC1=O ZINC000368555484 466668078 /nfs/dbraw/zinc/66/80/78/466668078.db2.gz ICIUHLPKTJQOSH-INIZCTEOSA-N 0 0 345.443 2.352 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCOCC1 ZINC000373230169 466736480 /nfs/dbraw/zinc/73/64/80/466736480.db2.gz PURMYIRXYOFBGP-HNNXBMFYSA-N 0 0 336.407 2.095 10 10 EECERN O=C(c1ccnc2c1CC(=O)N2)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000613563350 469737999 /nfs/dbraw/zinc/73/79/99/469737999.db2.gz UOBHNIQQBRQSFB-JTQLQIEISA-N 0 0 333.347 2.297 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000773743263 577362333 /nfs/dbraw/zinc/36/23/33/577362333.db2.gz AESPPNGYVLSRIT-NSHDSACASA-N 0 0 338.363 2.300 10 10 EECERN COC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776237618 577455439 /nfs/dbraw/zinc/45/54/39/577455439.db2.gz HNNKXVKRXAJTOB-ZFWWWQNUSA-N 0 0 333.432 2.408 10 10 EECERN C[C@H]1COCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000767928827 577547477 /nfs/dbraw/zinc/54/74/77/577547477.db2.gz DKFLUKCOJHDAKA-KXBFYZLASA-N 0 0 346.471 2.184 10 10 EECERN O=C(COC(=O)c1cccc(O)c1O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000758573573 577627566 /nfs/dbraw/zinc/62/75/66/577627566.db2.gz VXEISHOIXYHSOE-SECBINFHSA-N 0 0 347.289 2.056 10 10 EECERN CCOC(=O)[C@H](Cc1ccccn1)NCc1ccc(OCC)cc1O ZINC000763480338 577721715 /nfs/dbraw/zinc/72/17/15/577721715.db2.gz MFAHRPLINMMMAY-KRWDZBQOSA-N 0 0 344.411 2.450 10 10 EECERN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000751235359 577749525 /nfs/dbraw/zinc/74/95/25/577749525.db2.gz JXQVPUBYYRTLBS-UHFFFAOYSA-N 0 0 349.408 2.308 10 10 EECERN COC(=O)c1cncc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000746430595 577927658 /nfs/dbraw/zinc/92/76/58/577927658.db2.gz JTTZQMFWEWDGOE-UHFFFAOYSA-N 0 0 344.440 2.429 10 10 EECERN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccon3)cc2F)C[C@H](C)O1 ZINC000740741083 578106571 /nfs/dbraw/zinc/10/65/71/578106571.db2.gz MFWBWSDLQUPUIB-BETUJISGSA-N 0 0 347.390 2.286 10 10 EECERN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N(C)Cc1ccccc1O ZINC000120252295 674830727 /nfs/dbraw/zinc/83/07/27/674830727.db2.gz PWDIVXSEYKICFN-KRWDZBQOSA-N 0 0 341.411 2.200 10 10 EECERN C[C@@H]1COCC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738765 675611477 /nfs/dbraw/zinc/61/14/77/675611477.db2.gz CXVQHCOJSNCYJV-BXKDBHETSA-N 0 0 328.206 2.444 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924509101 679499442 /nfs/dbraw/zinc/49/94/42/679499442.db2.gz AWHZAYNQRIJNTG-UFBFGSQYSA-N 0 0 336.285 2.440 10 10 EECERN Nc1ccc(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000178771673 681539887 /nfs/dbraw/zinc/53/98/87/681539887.db2.gz HDLKJKCPQMSUFG-UHFFFAOYSA-N 0 0 336.395 2.301 10 10 EECERN CC(=O)NC1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896072229 684825284 /nfs/dbraw/zinc/82/52/84/684825284.db2.gz FLUXZGWUSZLHLO-UHFFFAOYSA-N 0 0 348.424 2.490 10 10 EECERN COc1ccc(O)c(CNC(=O)C[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000896361809 684954652 /nfs/dbraw/zinc/95/46/52/684954652.db2.gz PURWESMUHNDSRA-MRXNPFEDSA-N 0 0 349.427 2.383 10 10 EECERN O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000896964540 686014879 /nfs/dbraw/zinc/01/48/79/686014879.db2.gz DJHNUDAWXMHHEZ-JTQLQIEISA-N 0 0 329.381 2.323 10 10 EECERN COc1n[nH]c(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 ZINC000179374970 694006072 /nfs/dbraw/zinc/00/60/72/694006072.db2.gz PEEJLPLWPWWLBA-UHFFFAOYSA-N 0 0 341.371 2.482 10 10 EECERN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000871539249 1197765917 /nfs/dbraw/zinc/76/59/17/1197765917.db2.gz FNSQCZJBGLUKSA-ZVYZJRAXSA-N 0 0 333.384 2.348 10 10 EECERN CON(C)C(=O)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000863712260 1197828677 /nfs/dbraw/zinc/82/86/77/1197828677.db2.gz UTAGVHXDJLWGGS-CQSZACIVSA-N 0 0 343.427 2.161 10 10 EECERN Cc1nsc(C(=O)NCc2cccc(Br)c2O)n1 ZINC000794748300 1197924633 /nfs/dbraw/zinc/92/46/33/1197924633.db2.gz LLTNAKSZYMOAMS-UHFFFAOYSA-N 0 0 328.191 2.245 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000871908219 1197966651 /nfs/dbraw/zinc/96/66/51/1197966651.db2.gz GGSYUVDVCVZKIB-IVMMDQJWSA-N 0 0 330.384 2.114 10 10 EECERN CCOC(=O)c1c(C)onc1COC(=O)c1ccc(C)c(O)c1O ZINC000811112749 1199889319 /nfs/dbraw/zinc/88/93/19/1199889319.db2.gz OQBZADJSVXNZHX-UHFFFAOYSA-N 0 0 335.312 2.236 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)Nc3nn(C)cc3C)C2)cc1 ZINC000826030329 1200328863 /nfs/dbraw/zinc/32/88/63/1200328863.db2.gz WZCQTRHWSOIXHD-AWEZNQCLSA-N 0 0 343.431 2.385 10 10 EECERN CC(=O)c1cc(F)cc(C[NH+]2CCC(CCO)(CCO)CC2)c1O ZINC000879280893 1200975521 /nfs/dbraw/zinc/97/55/21/1200975521.db2.gz GJQBINZQVWNIGB-UHFFFAOYSA-N 0 0 339.407 2.081 10 10 EECERN C[C@@H]1CCCN(c2ccc(CNC(=O)c3nnn(C)n3)cc2Cl)C1 ZINC000879871837 1201290229 /nfs/dbraw/zinc/29/02/29/1201290229.db2.gz BJOJLUJJEFXCAW-LLVKDONJSA-N 0 0 348.838 2.030 10 10 EECERN CC(C)Oc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000867691253 1201660102 /nfs/dbraw/zinc/66/01/02/1201660102.db2.gz STYVZHDYQLUCCI-UHFFFAOYSA-N 0 0 334.397 2.279 10 10 EECERN CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)N2CCn3nccc32)C1 ZINC000868151308 1201753284 /nfs/dbraw/zinc/75/32/84/1201753284.db2.gz PLAGHZFWYVVEPI-AFNCTOJWSA-N 0 0 346.431 2.433 10 10 EECERN CNC(=O)c1cccc(CCNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868299028 1201786452 /nfs/dbraw/zinc/78/64/52/1201786452.db2.gz YJEJDOXDBQTDRC-ZDUSSCGKSA-N 0 0 341.411 2.355 10 10 EECERN COc1ccc(CNC(=O)N[C@H](c2ncccn2)C2CC2)c(O)c1 ZINC000925466898 1206115540 /nfs/dbraw/zinc/11/55/40/1206115540.db2.gz OUWMKHCGFPNKQS-HNNXBMFYSA-N 0 0 328.372 2.141 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000779069355 1208491451 /nfs/dbraw/zinc/49/14/51/1208491451.db2.gz QDGADSFLAKPHLR-NSHDSACASA-N 0 0 340.383 2.187 10 10 EECERN COCCOc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000779500937 1210401007 /nfs/dbraw/zinc/40/10/07/1210401007.db2.gz POIIVJQXXUHCTO-SOFGYWHQSA-N 0 0 343.379 2.453 10 10 EECERN COc1ccc(F)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000088767675 1212419522 /nfs/dbraw/zinc/41/95/22/1212419522.db2.gz KAXFYZNBGIWYAY-UHFFFAOYSA-N 0 0 345.374 2.155 10 10 EECERN Cc1noc(C2CCC(NC(=O)c3c(F)ccc(O)c3O)CC2)n1 ZINC000826765350 1248065812 /nfs/dbraw/zinc/06/58/12/1248065812.db2.gz YMBVTXWZKMMXOQ-UHFFFAOYSA-N 0 0 335.335 2.385 10 10 EECERN CO[C@@H](CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000827473664 1248158520 /nfs/dbraw/zinc/15/85/20/1248158520.db2.gz LAEPXBCBJZIPHS-LRDDRELGSA-N 0 0 326.462 2.158 10 10 EECERN CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000827544555 1248407744 /nfs/dbraw/zinc/40/77/44/1248407744.db2.gz FFXYWGWQXRUOGK-NSHDSACASA-N 0 0 329.803 2.372 10 10 EECERN CN(Cc1ccccc1O)S(=O)(=O)CCCC1CCOCC1 ZINC000827188136 1250605153 /nfs/dbraw/zinc/60/51/53/1250605153.db2.gz SOORUELGOGGTIH-UHFFFAOYSA-N 0 0 327.446 2.361 10 10 EECERN CO[C@@H](C[NH2+]Cc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000850344857 1277191181 /nfs/dbraw/zinc/19/11/81/1277191181.db2.gz ZLBVWENJDOOYHX-HZMBPMFUSA-N 0 0 330.222 2.296 10 10 EECERN C[C@@]12COC[C@@H]1CN(C(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC000852138602 1292008944 /nfs/dbraw/zinc/00/89/44/1292008944.db2.gz PKLQLSNPBGJWFO-QFBILLFUSA-N 0 0 327.428 2.241 10 10 EECERN O=C(NCCO[C@@H]1CC1(F)F)NCc1ccc(N2CC=CC2)cc1 ZINC000852138097 1292008955 /nfs/dbraw/zinc/00/89/55/1292008955.db2.gz GSRKUEXVSZMOGB-OAHLLOKOSA-N 0 0 337.370 2.286 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)NCCO[C@H]2CC2(F)F)cc1 ZINC000852530085 1292127352 /nfs/dbraw/zinc/12/73/52/1292127352.db2.gz SQTYAKBFLJBCDJ-AWEZNQCLSA-N 0 0 327.375 2.318 10 10 EECERN Cc1cc(C(=O)CN2CCC(=O)N(C)CC2)c(C)n1-c1ccccc1 ZINC000852579589 1292136858 /nfs/dbraw/zinc/13/68/58/1292136858.db2.gz JKIJBVMWAJDAHJ-UHFFFAOYSA-N 0 0 339.439 2.441 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H]2CCCC[C@H]12 ZINC000852906801 1292230924 /nfs/dbraw/zinc/23/09/24/1292230924.db2.gz STYFXBNKWDDCFK-ZACQAIPSSA-N 0 0 330.428 2.392 10 10 EECERN O=C(NCCCSc1nccs1)NCC(O)(C1CC1)C1CC1 ZINC000853857635 1292491586 /nfs/dbraw/zinc/49/15/86/1292491586.db2.gz HSODOVILWCTGLL-UHFFFAOYSA-N 0 0 341.502 2.476 10 10 EECERN CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)[C@H](C)CO1 ZINC000854297963 1292708694 /nfs/dbraw/zinc/70/86/94/1292708694.db2.gz YMNGVGBJADWFHT-HLLBOEOZSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(CCO)CC(C)(C)C)C2)cc1 ZINC000854301119 1292712546 /nfs/dbraw/zinc/71/25/46/1292712546.db2.gz ISIPLDVGIJMNRI-HNNXBMFYSA-N 0 0 349.475 2.324 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3c(C)nn(C)c3C)C2)cc1 ZINC000854303228 1292713222 /nfs/dbraw/zinc/71/32/22/1292713222.db2.gz UTDHTMMHDKKWKW-CQSZACIVSA-N 0 0 343.431 2.446 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1nnn(C(C)(C)C)n1 ZINC000854948267 1292998584 /nfs/dbraw/zinc/99/85/84/1292998584.db2.gz MYUWDIXDQRMENZ-CYBMUJFWSA-N 0 0 344.463 2.164 10 10 EECERN Cc1cc(CC(=O)NCCN2CCCC2=O)c(C)n1-c1ccccc1 ZINC000855022344 1293036353 /nfs/dbraw/zinc/03/63/53/1293036353.db2.gz VCDVIBUTTPJNOK-UHFFFAOYSA-N 0 0 339.439 2.375 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCCn3cccn3)C2)cc1 ZINC000855228514 1293120874 /nfs/dbraw/zinc/12/08/74/1293120874.db2.gz BJXRWOPRNKRXJC-OAHLLOKOSA-N 0 0 328.416 2.067 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(C)nn(C)c3Cl)C2)cc1 ZINC000855229712 1293120945 /nfs/dbraw/zinc/12/09/45/1293120945.db2.gz POGJYUTUVRAAFD-LBPRGKRZSA-N 0 0 348.834 2.399 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c[nH]c(=O)cc3C)C2)cc1 ZINC000855233603 1293122908 /nfs/dbraw/zinc/12/29/08/1293122908.db2.gz IYIZWBSXBWEMMA-ZDUSSCGKSA-N 0 0 327.384 2.113 10 10 EECERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c(O)c1O ZINC000855870520 1293349422 /nfs/dbraw/zinc/34/94/22/1293349422.db2.gz NXUIWHDSTNTPLW-HIFRSBDPSA-N 0 0 329.400 2.281 10 10 EECERN COC(=O)N(C)CCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000855891188 1293356487 /nfs/dbraw/zinc/35/64/87/1293356487.db2.gz AOHKTOVSRJNYET-UHFFFAOYSA-N 0 0 344.415 2.259 10 10 EECERN Cc1ccc(O)c(CNC(=O)NC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000858675728 1294188813 /nfs/dbraw/zinc/18/88/13/1294188813.db2.gz XYCVYSPCNMTZQP-ZDUSSCGKSA-N 0 0 342.321 2.500 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCO[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000858798038 1294229337 /nfs/dbraw/zinc/22/93/37/1294229337.db2.gz VLVBJALELWXHRW-DXTPNHAXSA-N 0 0 338.335 2.346 10 10 EECERN COc1ccc(CNC(=O)C2(c3cc(C)no3)CCOCC2)c(O)c1 ZINC000861490698 1295423920 /nfs/dbraw/zinc/42/39/20/1295423920.db2.gz YQQMEQHXAAGYQT-UHFFFAOYSA-N 0 0 346.383 2.062 10 10 EECERN Nc1ccc(CCNC(=O)NC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000861639209 1295485342 /nfs/dbraw/zinc/48/53/42/1295485342.db2.gz BMBGUUFEWGKYAD-ZDUSSCGKSA-N 0 0 341.337 2.111 10 10 EECERN CON1CCC(CC(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862025251 1295659330 /nfs/dbraw/zinc/65/93/30/1295659330.db2.gz QEBAGHQQUIQOAO-UHFFFAOYSA-N 0 0 329.400 2.220 10 10 EECERN CCN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 ZINC000862145754 1295721087 /nfs/dbraw/zinc/72/10/87/1295721087.db2.gz OTIYHRZYEMDNRU-ZDUSSCGKSA-N 0 0 334.420 2.387 10 10 EECERN CCN(Cc1cn(C)nn1)Cc1c(O)cccc1Br ZINC000862312127 1295790328 /nfs/dbraw/zinc/79/03/28/1295790328.db2.gz FLZLOHIQSJSWRI-UHFFFAOYSA-N 0 0 325.210 2.305 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[O-] ZINC000862526873 1295865991 /nfs/dbraw/zinc/86/59/91/1295865991.db2.gz FZVIFMNHJZLCDH-DMDKVIGKSA-N 0 0 344.820 2.439 10 10 EECERN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC2(CCOCC2)O1 ZINC000927179052 1297051947 /nfs/dbraw/zinc/05/19/47/1297051947.db2.gz ORKHGLQLMIWRDP-OAHLLOKOSA-N 0 0 334.416 2.262 10 10 EECERN CO[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC001116749633 1305914849 /nfs/dbraw/zinc/91/48/49/1305914849.db2.gz NGNZOLDQOULARI-QILLFSRXSA-N 0 0 347.459 2.451 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001124549738 1310915314 /nfs/dbraw/zinc/91/53/14/1310915314.db2.gz OSUGFRVGSKXUPF-MRXNPFEDSA-N 0 0 341.455 2.256 10 10 EECERN Cn1c(=O)oc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)c(F)cc21 ZINC001141951000 1315398276 /nfs/dbraw/zinc/39/82/76/1315398276.db2.gz WXBDZMAAOJZPBM-HWKANZROSA-N 0 0 344.298 2.334 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCNC[C@@H]2c2cccnc2)cc1 ZINC000841654835 1315591361 /nfs/dbraw/zinc/59/13/61/1315591361.db2.gz QASKMXQVYSVZRI-GOSISDBHSA-N 0 0 339.443 2.004 10 10 EECERN Cc1ccc(NC(=O)CNC(=O)Cc2ccc(O)c(O)c2)c(Cl)c1 ZINC001142440368 1315609046 /nfs/dbraw/zinc/60/90/46/1315609046.db2.gz OLQQPVSXURWUDY-UHFFFAOYSA-N 0 0 348.786 2.357 10 10 EECERN CO[C@H](CS(=O)(=O)Nc1ccc(O)c(COC(C)C)c1)C1CC1 ZINC000842586320 1315726703 /nfs/dbraw/zinc/72/67/03/1315726703.db2.gz QDMRKZBSZLMXFY-MRXNPFEDSA-N 0 0 343.445 2.484 10 10 EECERN COc1cccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1O ZINC001150543963 1316295192 /nfs/dbraw/zinc/29/51/92/1316295192.db2.gz VVWGPJNULPEMMW-UHFFFAOYSA-N 0 0 334.303 2.307 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(=O)[nH]n1 ZINC001251375104 1317452187 /nfs/dbraw/zinc/45/21/87/1317452187.db2.gz BFBOMQOWLZWHQB-UHFFFAOYSA-N 0 0 330.388 2.400 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001156170353 1317905041 /nfs/dbraw/zinc/90/50/41/1317905041.db2.gz LSZVYPWPJQIPGE-INIZCTEOSA-N 0 0 332.306 2.480 10 10 EECERN COc1ccc2c(c1)C=C(C(=O)NCc1ccc(O)cc1O)CO2 ZINC001299572972 1319525091 /nfs/dbraw/zinc/52/50/91/1319525091.db2.gz HWWFBTNAMFRTEL-UHFFFAOYSA-N 0 0 327.336 2.199 10 10 EECERN COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(O)cc1O ZINC001162271913 1320802464 /nfs/dbraw/zinc/80/24/64/1320802464.db2.gz VUGDXSKZNNUOSX-UHFFFAOYSA-N 0 0 329.352 2.168 10 10 EECERN CC[C@@H](C)C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001296008090 1329864892 /nfs/dbraw/zinc/86/48/92/1329864892.db2.gz WOUCNSIOAQKLQH-LLVKDONJSA-N 0 0 333.392 2.083 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001303223151 1331350648 /nfs/dbraw/zinc/35/06/48/1331350648.db2.gz CHFMKBSWAMXUFB-INIZCTEOSA-N 0 0 348.305 2.185 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(C)CCC1 ZINC001323174634 1333403608 /nfs/dbraw/zinc/40/36/08/1333403608.db2.gz OGGNSBRCLWIAKC-UHFFFAOYSA-N 0 0 331.460 2.408 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC3(CC3)C2)cc1 ZINC001332777465 1335904748 /nfs/dbraw/zinc/90/47/48/1335904748.db2.gz FSRBXLLQGFRCEE-HNNXBMFYSA-N 0 0 329.444 2.208 10 10 EECERN CCCC(=O)N[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001337265165 1336673016 /nfs/dbraw/zinc/67/30/16/1336673016.db2.gz QEOCQRZYAHYOQX-LLVKDONJSA-N 0 0 333.392 2.226 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(n1)OCCO2 ZINC000847590743 1338194958 /nfs/dbraw/zinc/19/49/58/1338194958.db2.gz GDMPGAIKIVSEDH-UHFFFAOYSA-N 0 0 340.379 2.367 10 10 EECERN CC[C@H](COCC1CC1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849359217 1339154406 /nfs/dbraw/zinc/15/44/06/1339154406.db2.gz MDMSVGDUXGPACM-OAHLLOKOSA-N 0 0 332.400 2.362 10 10 EECERN COc1ccc(N2CC[C@@H](N3C(=O)[C@H](C)N(C4CC4)C3=O)C2)cc1 ZINC000849358331 1339154408 /nfs/dbraw/zinc/15/44/08/1339154408.db2.gz VZCAYXLKVPSIGB-SWLSCSKDSA-N 0 0 329.400 2.089 10 10 EECERN COc1ccc(N2CC[C@H](NS(=O)(=O)CC3CCCC3)C2)cc1 ZINC000849416977 1339156291 /nfs/dbraw/zinc/15/62/91/1339156291.db2.gz ZRZRHUCLROTFJI-HNNXBMFYSA-N 0 0 338.473 2.384 10 10 EECERN O=C(Cc1cncn1Cc1ccccc1)NCc1cccc(O)c1O ZINC001558161032 1342467115 /nfs/dbraw/zinc/46/71/15/1342467115.db2.gz FMEMIBXKSISEDE-UHFFFAOYSA-N 0 0 337.379 2.202 10 10 EECERN CC(=O)CCc1ccc(OCC(=O)NCc2c(O)cccc2O)cc1 ZINC001558533625 1342480738 /nfs/dbraw/zinc/48/07/38/1342480738.db2.gz IXLNJRPVFDINBA-UHFFFAOYSA-N 0 0 343.379 2.315 10 10 EECERN COC(=O)c1coc(/C=C/C(=O)NCc2cccc(OC)c2O)c1 ZINC001622779111 1352388962 /nfs/dbraw/zinc/38/89/62/1352388962.db2.gz JCZOJSZTWCLUSR-VOTSOKGWSA-N 0 0 331.324 2.110 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)c2ccnc3n[nH]nc32)cc1 ZINC001624541458 1352423632 /nfs/dbraw/zinc/42/36/32/1352423632.db2.gz QDRZPZHVGUMWHF-UHFFFAOYSA-N 0 0 338.415 2.471 10 10 EECERN Cc1ccccc1C1=NO[C@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001637046384 1352671472 /nfs/dbraw/zinc/67/14/72/1352671472.db2.gz QJNYIYKFHXZGOH-INIZCTEOSA-N 0 0 326.352 2.216 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccccc1NC(=O)C1CC1 ZINC001645362980 1352776928 /nfs/dbraw/zinc/77/69/28/1352776928.db2.gz HRWLTRDOHKCSII-UHFFFAOYSA-N 0 0 326.352 2.376 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccn(-c2ccc(F)cc2)n1 ZINC001647270685 1353213479 /nfs/dbraw/zinc/21/34/79/1353213479.db2.gz XFJOYGJIPNMAOB-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN Cn1c(CNC(=O)c2c(F)ccc(O)c2O)nc2cc(F)ccc21 ZINC001648578199 1353434630 /nfs/dbraw/zinc/43/46/30/1353434630.db2.gz OEILYHNNYQSABW-UHFFFAOYSA-N 0 0 333.294 2.193 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001652219646 1354082391 /nfs/dbraw/zinc/08/23/91/1354082391.db2.gz RXXLNJXWDMVNQK-GBEXYDAJSA-N 0 0 328.412 2.017 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(-c2ccco2)[nH]c1=O ZINC001652625917 1354097424 /nfs/dbraw/zinc/09/74/24/1354097424.db2.gz NTLQHKXXGQYDHC-UHFFFAOYSA-N 0 0 326.308 2.388 10 10 EECERN O=C(NCCOC1CCOCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000919919373 770453843 /nfs/dbraw/zinc/45/38/43/770453843.db2.gz ZLKWYPFTNZPJTL-UHFFFAOYSA-N 0 0 345.443 2.058 10 10 EECERN CCc1ncnc(CC)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000816028960 783623974 /nfs/dbraw/zinc/62/39/74/783623974.db2.gz RRGFVCAWLMHRAR-LLVKDONJSA-N 0 0 329.400 2.374 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001135800643 784465518 /nfs/dbraw/zinc/46/55/18/784465518.db2.gz KHNHQKACWQLRMO-INIZCTEOSA-N 0 0 346.475 2.328 10 10 EECERN CNC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000817471643 784804923 /nfs/dbraw/zinc/80/49/23/784804923.db2.gz ZHYKQGSNEXDZAG-MRXNPFEDSA-N 0 0 325.412 2.302 10 10 EECERN Cc1cc(C)c(CN2C(=O)CN(Cc3ccccc3O)C2=O)c(=O)[nH]1 ZINC000819165980 785440827 /nfs/dbraw/zinc/44/08/27/785440827.db2.gz JEWJTNGOGUOXMG-UHFFFAOYSA-N 0 0 341.367 2.074 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2n[nH]c(=S)n2c1 ZINC001146196225 791112800 /nfs/dbraw/zinc/11/28/00/791112800.db2.gz IYXFEDZCXDDDGW-UHFFFAOYSA-N 0 0 341.440 2.322 10 10 EECERN O=C(/C=C/[C@H]1CCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000819300371 785491540 /nfs/dbraw/zinc/49/15/40/785491540.db2.gz ASVUYGWGAZQRKN-IHHMQQGQSA-N 0 0 344.455 2.247 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)/C=C\[C@@H]3CCCO3)C2)cc1 ZINC000819586489 785595841 /nfs/dbraw/zinc/59/58/41/785595841.db2.gz ABZGZKXTSJYXBC-MMARLYJUSA-N 0 0 330.428 2.373 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(C)nc(C)n3)C2)cc1 ZINC000819587634 785598070 /nfs/dbraw/zinc/59/80/70/785598070.db2.gz GBEULXYDBXBHTK-HNNXBMFYSA-N 0 0 340.427 2.358 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)c3c[nH]cn3)C2)cc1 ZINC000819588784 785598422 /nfs/dbraw/zinc/59/84/22/785598422.db2.gz OPSRVBGSPLABBZ-AWEZNQCLSA-N 0 0 342.443 2.339 10 10 EECERN CN1CCOC[C@H]1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708197380 786764385 /nfs/dbraw/zinc/76/43/85/786764385.db2.gz PSEKNBYUCIMWFM-LLVKDONJSA-N 0 0 349.656 2.228 10 10 EECERN CC(C)(C(=O)NCc1ccc(N2CCSCC2)cc1)n1cccn1 ZINC000822553621 787264209 /nfs/dbraw/zinc/26/42/09/787264209.db2.gz LMMJQCKWIUWZSB-UHFFFAOYSA-N 0 0 344.484 2.488 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)c3cn[nH]c3)C2)cc1 ZINC000823415318 787718401 /nfs/dbraw/zinc/71/84/01/787718401.db2.gz JIIBHEDINFFPFA-UONOGXRCSA-N 0 0 343.431 2.305 10 10 EECERN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H]1CC12CC2 ZINC000823688828 787872477 /nfs/dbraw/zinc/87/24/77/787872477.db2.gz TZSZOLIVCUIGLL-AWEZNQCLSA-N 0 0 337.370 2.153 10 10 EECERN COC(=O)COc1ccc(N(C)Cc2cn(C3CCC3)nn2)cc1 ZINC000825497534 788655004 /nfs/dbraw/zinc/65/50/04/788655004.db2.gz KVXBDJNVESLWCW-UHFFFAOYSA-N 0 0 330.388 2.191 10 10 EECERN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844422822 789085012 /nfs/dbraw/zinc/08/50/12/789085012.db2.gz QORTWIIRKFLOQA-MRXNPFEDSA-N 0 0 345.487 2.354 10 10 EECERN C[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1O ZINC001171723715 796705099 /nfs/dbraw/zinc/70/50/99/796705099.db2.gz YQSZGGVOISKETA-CQSZACIVSA-N 0 0 349.390 2.493 10 10 EECERN Cn1cc(-c2nc(C(=O)N3Cc4cccc(O)c4C3)cs2)cn1 ZINC001175029297 797969630 /nfs/dbraw/zinc/96/96/30/797969630.db2.gz ALLDXRPWOWGEPW-UHFFFAOYSA-N 0 0 326.381 2.405 10 10 EECERN COc1ccc(CNC(=O)c2cc(Cl)nc(N(C)C)c2)c(O)c1 ZINC000794379739 810805402 /nfs/dbraw/zinc/80/54/02/810805402.db2.gz VVNOLKIBCKKDSL-UHFFFAOYSA-N 0 0 335.791 2.445 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3ncc(Cl)cn3)C2)cc1 ZINC001129993002 811080221 /nfs/dbraw/zinc/08/02/21/811080221.db2.gz DPBBVLJCRPPGIB-LBPRGKRZSA-N 0 0 346.818 2.395 10 10 EECERN Cc1cc(CNC(=O)NCc2cc(Br)ccc2O)[nH]n1 ZINC000805139854 811155049 /nfs/dbraw/zinc/15/50/49/811155049.db2.gz OKTCPXRYHSLXQC-UHFFFAOYSA-N 0 0 339.193 2.186 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1 ZINC000806178619 811791330 /nfs/dbraw/zinc/79/13/30/811791330.db2.gz IKKAEWRGHOFLSL-DOMZBBRYSA-N 0 0 330.384 2.001 10 10 EECERN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCC(=O)C(C)=O)O[C@@H](C)C2 ZINC000808515506 812686072 /nfs/dbraw/zinc/68/60/72/812686072.db2.gz ICNQWTFJPVHFEK-XEGUGMAKSA-N 0 0 346.379 2.214 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2NC(=O)CO3)c1 ZINC001566374364 1125598181 /nfs/dbraw/zinc/59/81/81/1125598181.db2.gz FYFFIYKJRMECAG-JTQLQIEISA-N 0 0 342.351 2.223 10 10 EECERN C=CC(=O)N(C)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001445639369 1091426249 /nfs/dbraw/zinc/42/62/49/1091426249.db2.gz UHGMIIANPWGRHK-UHFFFAOYSA-N 0 0 328.368 2.158 10 10 EECERN COc1cccc(CNC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)c1O ZINC001445972485 1091927904 /nfs/dbraw/zinc/92/79/04/1091927904.db2.gz YHOOVERZXNJUMH-QWHCGFSZSA-N 0 0 335.400 2.385 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001455313900 1108422650 /nfs/dbraw/zinc/42/26/50/1108422650.db2.gz DRZBBIWLSCWXRS-UHFFFAOYSA-N 0 0 348.742 2.012 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2c[nH]c3ccccc23)c1 ZINC001456319320 1109141422 /nfs/dbraw/zinc/14/14/22/1109141422.db2.gz LAXHHBFAPANGBJ-UHFFFAOYSA-N 0 0 345.380 2.497 10 10 EECERN CN(C)C(=O)c1ccnc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001457716287 1109742499 /nfs/dbraw/zinc/74/24/99/1109742499.db2.gz RLTVYMQZFFFIOC-UHFFFAOYSA-N 0 0 340.343 2.198 10 10 EECERN COc1cccc2c(C(=O)NCc3ccc(N(C)C)c(F)c3)cnn21 ZINC001464551648 1110397146 /nfs/dbraw/zinc/39/71/46/1110397146.db2.gz XHFUETQFSODIAS-UHFFFAOYSA-N 0 0 342.374 2.478 10 10 EECERN COc1ccc(O)c([C@@H](C)Nc2cc(C)nc(S(C)(=O)=O)n2)c1 ZINC001472687294 1110562338 /nfs/dbraw/zinc/56/23/38/1110562338.db2.gz BAIAXNBKJQAJDP-SNVBAGLBSA-N 0 0 337.401 2.076 10 10 EECERN C/C=C(/C)C(=O)N(C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001506274515 1114512631 /nfs/dbraw/zinc/51/26/31/1114512631.db2.gz YRXLKQLRPUTIMP-PZBMAQJQSA-N 0 0 343.387 2.098 10 10 EECERN COC1(C)CN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001517904390 1119046007 /nfs/dbraw/zinc/04/60/07/1119046007.db2.gz PBCXDYQRNROAFQ-UHFFFAOYSA-N 0 0 329.448 2.234 10 10 EECERN CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001531503659 1122432294 /nfs/dbraw/zinc/43/22/94/1122432294.db2.gz MJNLLMFKUOGLNY-KCPJHIHWSA-N 0 0 340.370 2.408 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001540488524 1124084518 /nfs/dbraw/zinc/08/45/18/1124084518.db2.gz VAVBZBRYNWZKRG-MRXNPFEDSA-N 0 0 339.443 2.483 10 10 EECERN CN(C)c1ccc(CN(C(=O)Cc2nnc(C3CC3)[nH]2)C2CC2)cc1 ZINC001540792564 1124093336 /nfs/dbraw/zinc/09/33/36/1124093336.db2.gz DRRZHRBQPDBRNC-UHFFFAOYSA-N 0 0 339.443 2.482 10 10 EECERN CCN(CC)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cn1 ZINC001540842314 1124094763 /nfs/dbraw/zinc/09/47/63/1124094763.db2.gz UVDHVUVWFGRBDZ-UHFFFAOYSA-N 0 0 329.400 2.198 10 10 EECERN CCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(O)c(O)c3)ccc21 ZINC001545639555 1124200690 /nfs/dbraw/zinc/20/06/90/1124200690.db2.gz TXYJSWGDRPOLBO-UHFFFAOYSA-N 0 0 327.340 2.103 10 10 EECERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC000374792975 238276204 /nfs/dbraw/zinc/27/62/04/238276204.db2.gz JGZXBODRDJIZNS-YHWZYXNKSA-N 0 0 327.384 2.382 10 10 EECERN Cc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)c(F)c2)cc1 ZINC000069771612 203047344 /nfs/dbraw/zinc/04/73/44/203047344.db2.gz STDBHLVSHMCVJX-UHFFFAOYSA-N 0 0 341.386 2.000 10 10 EECERN Nc1ccc(NC(=O)CCn2cc(Br)ccc2=O)cc1 ZINC000019386271 212024258 /nfs/dbraw/zinc/02/42/58/212024258.db2.gz NVPOWCHYNITVDD-UHFFFAOYSA-N 0 0 336.189 2.222 10 10 EECERN O=C(NCc1ccc(N2CCCCC2)cc1)c1cn2c(n1)COCC2 ZINC000065231622 462746100 /nfs/dbraw/zinc/74/61/00/462746100.db2.gz BEUYPYYUCYVITD-UHFFFAOYSA-N 0 0 340.427 2.334 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cn3nc(Cl)ccc3n2)cc1 ZINC000097938974 463365524 /nfs/dbraw/zinc/36/55/24/463365524.db2.gz ZHUMKERFQUYBSK-UHFFFAOYSA-N 0 0 329.791 2.379 10 10 EECERN COC(=O)[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125799206 463580311 /nfs/dbraw/zinc/58/03/11/463580311.db2.gz ZXXBBCSOVFCYMQ-CMPLNLGQSA-N 0 0 334.199 2.461 10 10 EECERN CN(c1ccc(CNC(=O)[C@H]2COC(=O)N2)cc1)C1CCCCC1 ZINC000282953552 463713190 /nfs/dbraw/zinc/71/31/90/463713190.db2.gz HJJQMJBEIDPSRB-MRXNPFEDSA-N 0 0 331.416 2.180 10 10 EECERN COc1cc(Cl)cc(CN2CCOC[C@H]2c2nc(C)no2)c1O ZINC000188469180 464289510 /nfs/dbraw/zinc/28/95/10/464289510.db2.gz HGXKOKMUNHELBQ-LBPRGKRZSA-N 0 0 339.779 2.319 10 10 EECERN Cc1nc(C[C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)no1 ZINC000181038900 464436173 /nfs/dbraw/zinc/43/61/73/464436173.db2.gz RRLYSQIEXMTMKK-HZRUHFOJSA-N 0 0 343.383 2.284 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnn1CC(F)(F)F ZINC000294893545 464640350 /nfs/dbraw/zinc/64/03/50/464640350.db2.gz ABALSWLKKSIDAY-SECBINFHSA-N 0 0 343.305 2.218 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cnc(C)s1 ZINC000285648946 464643823 /nfs/dbraw/zinc/64/38/23/464643823.db2.gz VRPIRVAEOXNPER-UHFFFAOYSA-N 0 0 347.440 2.212 10 10 EECERN CN(C)c1ccc(CNC(=O)NC[C@H](CO)c2ccccc2)cc1F ZINC000176037282 464684490 /nfs/dbraw/zinc/68/44/90/464684490.db2.gz NCRCAUXPVOTLCB-MRXNPFEDSA-N 0 0 345.418 2.467 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC000247508741 464688452 /nfs/dbraw/zinc/68/84/52/464688452.db2.gz PBKOZQKPNCAUGO-KRWDZBQOSA-N 0 0 328.460 2.059 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000273611021 464723209 /nfs/dbraw/zinc/72/32/09/464723209.db2.gz VVMIMJOJRGVMDT-BBRMVZONSA-N 0 0 329.396 2.433 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCN(c3cccnn3)CC2)c1O ZINC000177097205 464929492 /nfs/dbraw/zinc/92/94/92/464929492.db2.gz NAZIFUHVIQVERU-UHFFFAOYSA-N 0 0 346.818 2.360 10 10 EECERN C[C@H]1[C@@H](NC(=O)c2cccc(O)c2O)CC(=O)N1Cc1ccccc1 ZINC000366846368 465970456 /nfs/dbraw/zinc/97/04/56/465970456.db2.gz BLWCUGOZXXTOHX-WFASDCNBSA-N 0 0 340.379 2.017 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCOC[C@@H](C4CCC4)C3)cc2N1 ZINC000368303262 466595356 /nfs/dbraw/zinc/59/53/56/466595356.db2.gz CGZBTMINBDBVPN-LBPRGKRZSA-N 0 0 347.371 2.179 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCOCC1 ZINC000373230171 466736694 /nfs/dbraw/zinc/73/66/94/466736694.db2.gz PURMYIRXYOFBGP-OAHLLOKOSA-N 0 0 336.407 2.095 10 10 EECERN O=C1[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCN1C1CCOCC1 ZINC000376454921 466913662 /nfs/dbraw/zinc/91/36/62/466913662.db2.gz NXJHMTQXDHUJQA-CYBMUJFWSA-N 0 0 342.798 2.054 10 10 EECERN O=C(c1ccnc2c1CC(=O)N2)N1CCN(CC2CC2)c2ccccc21 ZINC000611741824 469314189 /nfs/dbraw/zinc/31/41/89/469314189.db2.gz ISWIJZSTGMEIQV-UHFFFAOYSA-N 0 0 348.406 2.453 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cncc2ncn(C)c21 ZINC000631560848 470172246 /nfs/dbraw/zinc/17/22/46/470172246.db2.gz DPAHSGMFVDYTTH-UHFFFAOYSA-N 0 0 337.383 2.074 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000730107952 576716618 /nfs/dbraw/zinc/71/66/18/576716618.db2.gz ZNUHYTVGBFZTEG-HYXAFXHYSA-N 0 0 334.372 2.380 10 10 EECERN C[C@@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1ccc(N(C)C)cc1 ZINC000773023519 577310996 /nfs/dbraw/zinc/31/09/96/577310996.db2.gz ZDDBZFKCZZHTNK-OHRKKDJYSA-N 0 0 330.428 2.172 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000776814548 577468475 /nfs/dbraw/zinc/46/84/75/577468475.db2.gz CUDNDYLNOAYCPL-QTONRWBISA-N 0 0 332.356 2.396 10 10 EECERN O=C(NCC[C@@H]1CCOC1)NCc1cccc(Br)c1O ZINC000764804412 577488745 /nfs/dbraw/zinc/48/87/45/577488745.db2.gz GSEYUKDSMWBOPQ-SNVBAGLBSA-N 0 0 343.221 2.381 10 10 EECERN Cc1cnc(C(=O)NCc2cccc(Br)c2O)c(O)c1 ZINC000765770874 577506823 /nfs/dbraw/zinc/50/68/23/577506823.db2.gz RNZWMWGMHDHZTJ-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN Cc1cc(C(=O)N2CCSC[C@@H]2CCO)c(C)n1-c1ccccn1 ZINC000768920442 577565727 /nfs/dbraw/zinc/56/57/27/577565727.db2.gz GHGLGGBWIBUZNX-HNNXBMFYSA-N 0 0 345.468 2.429 10 10 EECERN CN(Cc1ccccc1O)C(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000769283383 577574043 /nfs/dbraw/zinc/57/40/43/577574043.db2.gz VFQHCYYSOIFGPD-UHFFFAOYSA-N 0 0 344.371 2.030 10 10 EECERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](Cc2ccccn2)C1=O ZINC000761578194 577686305 /nfs/dbraw/zinc/68/63/05/577686305.db2.gz VOTNZVDUOQMMBB-CXAGYDPISA-N 0 0 338.411 2.372 10 10 EECERN Cc1cc(=O)[nH]c(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000761874957 577690778 /nfs/dbraw/zinc/69/07/78/577690778.db2.gz QREWHWBJZZHFDM-OAHLLOKOSA-N 0 0 329.400 2.377 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000756735116 577849572 /nfs/dbraw/zinc/84/95/72/577849572.db2.gz ZOMQASQPPJXIBE-UHFFFAOYSA-N 0 0 326.400 2.444 10 10 EECERN COc1ccc(N2CCN(C(=O)c3nc(C)ncc3Cl)CC2)cc1 ZINC000741883926 578125661 /nfs/dbraw/zinc/12/56/61/578125661.db2.gz WBWXSVYTVJQQFM-UHFFFAOYSA-N 0 0 346.818 2.409 10 10 EECERN OCC[C@@H]1CSCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000770304829 578153064 /nfs/dbraw/zinc/15/30/64/578153064.db2.gz AANXUYDYPOPJFB-GFCCVEGCSA-N 0 0 332.263 2.455 10 10 EECERN CC(C)(C)C1CC[NH+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000737571813 578265105 /nfs/dbraw/zinc/26/51/05/578265105.db2.gz GNFHWXHZFBODED-UHFFFAOYSA-N 0 0 332.404 2.391 10 10 EECERN O=C(/C=C\c1ccncn1)NCc1cc(Br)ccc1O ZINC000804735147 675610629 /nfs/dbraw/zinc/61/06/29/675610629.db2.gz MVTVLOBFLOTHIG-RQOWECAXSA-N 0 0 334.173 2.274 10 10 EECERN Cn1cnc([N+](=O)[O-])c1NCc1cc(Br)ccc1O ZINC000804828145 675650803 /nfs/dbraw/zinc/65/08/03/675650803.db2.gz SUIXIZUGPNSGQW-UHFFFAOYSA-N 0 0 327.138 2.409 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)N2CCOc3cc(C)ccc32)c1 ZINC000255293398 676498977 /nfs/dbraw/zinc/49/89/77/676498977.db2.gz VANNPLOJXUSLKG-XQRVVYSFSA-N 0 0 337.379 2.188 10 10 EECERN COC(=O)[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000092013052 678310887 /nfs/dbraw/zinc/31/08/87/678310887.db2.gz CBJXZCUVSYQHBT-QAPCUYQASA-N 0 0 332.444 2.439 10 10 EECERN COC(=O)CC(C)(C)CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000924990863 682306145 /nfs/dbraw/zinc/30/61/45/682306145.db2.gz YRCGIKLWZYERNE-LLVKDONJSA-N 0 0 338.404 2.350 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCC[C@H]2CC(=O)N(C)C2)cc1 ZINC000914255037 683432111 /nfs/dbraw/zinc/43/21/11/683432111.db2.gz VXPWXXOQSRTIOC-INIZCTEOSA-N 0 0 346.475 2.200 10 10 EECERN COC(=O)N[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000899631331 693818236 /nfs/dbraw/zinc/81/82/36/693818236.db2.gz IDMNPOBVONMBEI-AWEZNQCLSA-N 0 0 342.399 2.060 10 10 EECERN CCNC(=O)C(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897101537 686139976 /nfs/dbraw/zinc/13/99/76/686139976.db2.gz NPTKQJHEYVVVLL-UHFFFAOYSA-N 0 0 336.413 2.205 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1CSC1 ZINC000923814477 694177482 /nfs/dbraw/zinc/17/74/82/694177482.db2.gz FJWNJZKSBIRDQZ-UHFFFAOYSA-N 0 0 335.473 2.028 10 10 EECERN CC(C)(/C=C/Cl)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000928930844 688285226 /nfs/dbraw/zinc/28/52/26/688285226.db2.gz AMCXXRHGJFANRY-VOTSOKGWSA-N 0 0 332.809 2.025 10 10 EECERN C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897374376 688613001 /nfs/dbraw/zinc/61/30/01/688613001.db2.gz RJQFFPSZOHHNHP-HXNGOWOSSA-N 0 0 327.427 2.152 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@]2(CCCOC2)C1 ZINC000897724258 691759235 /nfs/dbraw/zinc/75/92/35/691759235.db2.gz BTUOMKNCPLIXGM-KRWDZBQOSA-N 0 0 349.408 2.334 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOCC(F)(F)C1 ZINC000897783069 691781769 /nfs/dbraw/zinc/78/17/69/691781769.db2.gz IPAPNHLIQVULQQ-UHFFFAOYSA-N 0 0 329.324 2.420 10 10 EECERN Cc1nc(CNCCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)co1 ZINC001267476953 1179113799 /nfs/dbraw/zinc/11/37/99/1179113799.db2.gz SWWFTYGIRHXFOK-UHFFFAOYSA-N 0 0 344.375 2.007 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)N(CCOC)c2ccccc2)c1 ZINC001272740966 1192977898 /nfs/dbraw/zinc/97/78/98/1192977898.db2.gz YEFNDJPKBGRSFT-CMDGGOBGSA-N 0 0 339.395 2.134 10 10 EECERN CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@H]1C[C@@H]1C ZINC001746166810 1187577207 /nfs/dbraw/zinc/57/72/07/1187577207.db2.gz LXEOSUBQULRUQC-JKOKRWQUSA-N 0 0 345.403 2.130 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3nc(C)ns3)CC2)cc1 ZINC000794735300 1197916252 /nfs/dbraw/zinc/91/62/52/1197916252.db2.gz JHIQWRMYGOLTJX-UHFFFAOYSA-N 0 0 332.429 2.254 10 10 EECERN Cn1c(-c2ccccc2)cnc1SC[C@@H](O)CC1(O)CCOCC1 ZINC000871968302 1197996488 /nfs/dbraw/zinc/99/64/88/1197996488.db2.gz NJCLBMPZFGWTHI-HNNXBMFYSA-N 0 0 348.468 2.472 10 10 EECERN CN(C)c1ccc(CNC(=O)/C=C\COC2CCOCC2)cc1F ZINC000865051703 1198064611 /nfs/dbraw/zinc/06/46/11/1198064611.db2.gz SHZXLPMNOCANNQ-ARJAWSKDSA-N 0 0 336.407 2.260 10 10 EECERN CCO[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCOC1 ZINC000865054069 1198065180 /nfs/dbraw/zinc/06/51/80/1198065180.db2.gz OXANYWZKXORPIC-FUHWJXTLSA-N 0 0 332.444 2.127 10 10 EECERN C[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)[C@@H](C)O1 ZINC000865315621 1198165670 /nfs/dbraw/zinc/16/56/70/1198165670.db2.gz PCHNONSJCOKMDS-BREBYQMCSA-N 0 0 338.791 2.376 10 10 EECERN COC(=O)c1cc(OCc2nc([C@H](C)OC)no2)ccc1N(C)C ZINC000865395974 1198196111 /nfs/dbraw/zinc/19/61/11/1198196111.db2.gz HEYOFBAASPRLLD-JTQLQIEISA-N 0 0 335.360 2.209 10 10 EECERN COC(=O)c1ccc(CC(=O)NCc2ccc(N(C)C)cc2C)cn1 ZINC000865903521 1198419857 /nfs/dbraw/zinc/41/98/57/1198419857.db2.gz CPGJFLODENXUCT-UHFFFAOYSA-N 0 0 341.411 2.102 10 10 EECERN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(CCF)CC3)cc2)C1 ZINC000810183515 1199338455 /nfs/dbraw/zinc/33/84/55/1199338455.db2.gz ZMEMVQHDPPGFJE-OAHLLOKOSA-N 0 0 347.434 2.144 10 10 EECERN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)NCc1cc(Cl)ccc1O)C2 ZINC000876129480 1199512700 /nfs/dbraw/zinc/51/27/00/1199512700.db2.gz CUUCCDIGZDVSEL-XAGWURHQSA-N 0 0 338.791 2.187 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000869928005 1200361613 /nfs/dbraw/zinc/36/16/13/1200361613.db2.gz WRGMBGRUCODIJV-IACUBPJLSA-N 0 0 337.169 2.036 10 10 EECERN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1Cc2cccc(O)c2C1 ZINC000871202671 1201098673 /nfs/dbraw/zinc/09/86/73/1201098673.db2.gz LCGFTJGNWOGBGF-CYBMUJFWSA-N 0 0 340.354 2.427 10 10 EECERN COc1cccc(C2=NO[C@H](C(=O)N3Cc4cccc(O)c4C3)C2)c1 ZINC000871204402 1201099274 /nfs/dbraw/zinc/09/92/74/1201099274.db2.gz DKTIZPSGBFIZDG-SFHVURJKSA-N 0 0 338.363 2.436 10 10 EECERN CS(=O)(=O)C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871205773 1201099323 /nfs/dbraw/zinc/09/93/23/1201099323.db2.gz YCVROCQDTNHSSD-MRXNPFEDSA-N 0 0 345.420 2.063 10 10 EECERN OC[C@H]1CCCCN1c1cc(N2Cc3cccc(O)c3C2)ncn1 ZINC000866117295 1201438577 /nfs/dbraw/zinc/43/85/77/1201438577.db2.gz KGHJTGSTNIZVSP-CQSZACIVSA-N 0 0 326.400 2.054 10 10 EECERN COC1(CS(=O)(=O)NCCCSc2nccs2)CCC1 ZINC000866781381 1201604638 /nfs/dbraw/zinc/60/46/38/1201604638.db2.gz JDXWYCSFXNIKNH-UHFFFAOYSA-N 0 0 336.504 2.114 10 10 EECERN CC(=O)c1cc(F)cc(Cn2cc([C@@H]3CCCC[C@@H]3O)nn2)c1O ZINC000880996167 1201619355 /nfs/dbraw/zinc/61/93/55/1201619355.db2.gz PCFNPRJXXYQRII-BBRMVZONSA-N 0 0 333.363 2.392 10 10 EECERN Cc1cc(N)cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000868228039 1201770118 /nfs/dbraw/zinc/77/01/18/1201770118.db2.gz ZTUYYDMZXFFQBY-UHFFFAOYSA-N 0 0 340.427 2.240 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H](C)O[C@H]3C)CC2)cc1 ZINC000868897102 1201900745 /nfs/dbraw/zinc/90/07/45/1201900745.db2.gz NGGPDMAJZYNPLM-RLFYNMQTSA-N 0 0 347.459 2.483 10 10 EECERN C[C@@H](NC(=O)N1CC(F)(F)C[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000780622063 1204925092 /nfs/dbraw/zinc/92/50/92/1204925092.db2.gz POKPSAJXFBOTCZ-BXUZGUMPSA-N 0 0 327.375 2.225 10 10 EECERN C[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC000928706064 1206413386 /nfs/dbraw/zinc/41/33/86/1206413386.db2.gz OKQCTDTTYWFZDX-SNVBAGLBSA-N 0 0 326.368 2.308 10 10 EECERN CC(C)(C)OC(=O)N1CC(CC(=O)NCc2c(O)cccc2F)C1 ZINC000928705302 1206413432 /nfs/dbraw/zinc/41/34/32/1206413432.db2.gz JCAOAMYBYUMHPE-UHFFFAOYSA-N 0 0 338.379 2.405 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000929003809 1206436203 /nfs/dbraw/zinc/43/62/03/1206436203.db2.gz PUKMFYUTMFPYBC-GOEBONIOSA-N 0 0 330.384 2.114 10 10 EECERN CO[C@@H](C)c1nsc(NC(=O)NCc2c(O)cccc2F)n1 ZINC000931470913 1207389566 /nfs/dbraw/zinc/38/95/66/1207389566.db2.gz GHAMPLGOVPHMHA-ZETCQYMHSA-N 0 0 326.353 2.412 10 10 EECERN NC(=O)CC1CC([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000718559729 1212461949 /nfs/dbraw/zinc/46/19/49/1212461949.db2.gz OKQLSDXYGUSTBB-UHFFFAOYSA-N 0 0 331.185 2.037 10 10 EECERN COc1ccc(O)c(CNC(=O)c2cc(Cl)nc(N(C)C)c2)c1 ZINC000114541319 1226633977 /nfs/dbraw/zinc/63/39/77/1226633977.db2.gz YWCAYSVIGQEAQX-UHFFFAOYSA-N 0 0 335.791 2.445 10 10 EECERN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724601380 1230669370 /nfs/dbraw/zinc/66/93/70/1230669370.db2.gz WHSXEYYSBMXZNP-WZRBSPASSA-N 0 0 328.206 2.048 10 10 EECERN O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)cc2n[nH]nc21 ZINC000800440408 1234133820 /nfs/dbraw/zinc/13/38/20/1234133820.db2.gz CGBDVUXHUGXKKM-UHFFFAOYSA-N 0 0 341.346 2.186 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000801181607 1235180419 /nfs/dbraw/zinc/18/04/19/1235180419.db2.gz AXMGKGBKKMNBKG-QWRGUYRKSA-N 0 0 347.745 2.448 10 10 EECERN Nc1c(C(=O)OCc2cn[nH]c2)ccc2c1C(=O)c1ccccc1C2=O ZINC000803225855 1239825909 /nfs/dbraw/zinc/82/59/09/1239825909.db2.gz URBCFKQXGPSTLI-UHFFFAOYSA-N 0 0 347.330 2.124 10 10 EECERN Cc1cc(CC(=O)N[C@@H](C(N)=O)C(C)C)c(C)n1-c1ccccc1 ZINC000826760323 1248049662 /nfs/dbraw/zinc/04/96/62/1248049662.db2.gz JGABIHZPBVUPIQ-GOSISDBHSA-N 0 0 327.428 2.263 10 10 EECERN COc1c(O)c(CN2CCOc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000827657988 1248614709 /nfs/dbraw/zinc/61/47/09/1248614709.db2.gz USDYBRYEWVFFBS-UHFFFAOYSA-N 0 0 346.339 2.409 10 10 EECERN CCOCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851964034 1291933402 /nfs/dbraw/zinc/93/34/02/1291933402.db2.gz USJPEPCTZBDIET-OAHLLOKOSA-N 0 0 335.448 2.390 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC3CC(F)(F)C3)C2)cc1 ZINC000852279842 1292076141 /nfs/dbraw/zinc/07/61/41/1292076141.db2.gz HRUKOBQALQVJKR-LLVKDONJSA-N 0 0 325.359 2.371 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CO)CC(C)(C)C)C2)cc1 ZINC000852455196 1292119089 /nfs/dbraw/zinc/11/90/89/1292119089.db2.gz RYGVTVNYDWHKBV-HUUCEWRRSA-N 0 0 349.475 2.370 10 10 EECERN CN1CCCc2cc(CNC(=O)NCCO[C@H]3CC3(F)F)ccc21 ZINC000852529012 1292127843 /nfs/dbraw/zinc/12/78/43/1292127843.db2.gz CMRUSDCQPSBXFT-HNNXBMFYSA-N 0 0 339.386 2.292 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@@H](C)C(O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000853835291 1292480109 /nfs/dbraw/zinc/48/01/09/1292480109.db2.gz XTHUSSLOSRSYOC-LQSYUTBNSA-N 0 0 334.372 2.234 10 10 EECERN O=C(NCCCSc1nccs1)N1CCc2nccnc2C1 ZINC000853857573 1292491602 /nfs/dbraw/zinc/49/16/02/1292491602.db2.gz GJUXTFNNPVAKMX-UHFFFAOYSA-N 0 0 335.458 2.183 10 10 EECERN OCc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ncc1F ZINC000853955823 1292552041 /nfs/dbraw/zinc/55/20/41/1292552041.db2.gz XUHCVTIDROVFEQ-UHFFFAOYSA-N 0 0 331.391 2.286 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000853964026 1292558882 /nfs/dbraw/zinc/55/88/82/1292558882.db2.gz GCVKOHONLZFQRD-HHCSHJMQSA-N 0 0 334.372 2.236 10 10 EECERN CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1F ZINC000854242435 1292684169 /nfs/dbraw/zinc/68/41/69/1292684169.db2.gz LVNQKJFVAJHOPI-RDTXWAMCSA-N 0 0 336.407 2.205 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](CO)CC(C)C)C2)cc1 ZINC000854299839 1292711118 /nfs/dbraw/zinc/71/11/18/1292711118.db2.gz SDSZFKBGPLOTRN-RDJZCZTQSA-N 0 0 349.475 2.322 10 10 EECERN CCCCN(CCO)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302815 1292712092 /nfs/dbraw/zinc/71/20/92/1292712092.db2.gz PDTXOBRXTIKEAK-HNNXBMFYSA-N 0 0 335.448 2.078 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000854987248 1293020876 /nfs/dbraw/zinc/02/08/76/1293020876.db2.gz AHLXANOFHBAFBN-PBHICJAKSA-N 0 0 349.427 2.489 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(C(C)=O)o3)C2)cc1 ZINC000855224925 1293117556 /nfs/dbraw/zinc/11/75/56/1293117556.db2.gz LYNRVYHNYLDREG-ZDUSSCGKSA-N 0 0 328.368 2.500 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)c3cnn(C)c3)C2)cc1 ZINC000855226273 1293118380 /nfs/dbraw/zinc/11/83/80/1293118380.db2.gz QWQCBAUZWQDREM-ZBFHGGJFSA-N 0 0 342.443 2.317 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(NC=O)cc3)C2)cc1 ZINC000855232795 1293122068 /nfs/dbraw/zinc/12/20/68/1293122068.db2.gz XXAUUURAZXKYKQ-MRXNPFEDSA-N 0 0 339.395 2.272 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 ZINC000855235078 1293123031 /nfs/dbraw/zinc/12/30/31/1293123031.db2.gz WKAMPGBPHIRHIK-NSHDSACASA-N 0 0 331.328 2.205 10 10 EECERN O=C(NCc1ccccc1O)NC[C@H](n1cccn1)C(F)(F)F ZINC000858675946 1294188397 /nfs/dbraw/zinc/18/83/97/1294188397.db2.gz MEAAJJLMPDPYAM-LBPRGKRZSA-N 0 0 328.294 2.192 10 10 EECERN CNc1cnc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000860346985 1294935097 /nfs/dbraw/zinc/93/50/97/1294935097.db2.gz LDKOQDLIWCEQRY-CQSZACIVSA-N 0 0 342.399 2.045 10 10 EECERN C[C@@H](NC(=O)COCc1cc[nH]c(=O)c1)c1ccc(N(C)C)cc1 ZINC000860950127 1295186078 /nfs/dbraw/zinc/18/60/78/1295186078.db2.gz JMNCYNQPSITQIV-CYBMUJFWSA-N 0 0 329.400 2.247 10 10 EECERN O=C(CNC(=O)C1CCCCC1)NCc1ccc2cccnc2c1O ZINC000862029586 1295662156 /nfs/dbraw/zinc/66/21/56/1295662156.db2.gz ZUTDUHZHJSGKKH-UHFFFAOYSA-N 0 0 341.411 2.253 10 10 EECERN CC(=O)c1cc(F)cc(CN2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000886798992 1296744144 /nfs/dbraw/zinc/74/41/44/1296744144.db2.gz LDHVQGBOGCPRNP-AWEZNQCLSA-N 0 0 335.297 2.481 10 10 EECERN CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC001119675899 1309155657 /nfs/dbraw/zinc/15/56/57/1309155657.db2.gz ACNHXUKUGLYQAW-UHFFFAOYSA-N 0 0 343.471 2.455 10 10 EECERN COC(=O)c1ccc(/C=C\C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 ZINC001138152153 1314557333 /nfs/dbraw/zinc/55/73/33/1314557333.db2.gz BIASMCAUOLSNMU-OFSNVTPPSA-N 0 0 345.351 2.238 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000839954756 1315263790 /nfs/dbraw/zinc/26/37/90/1315263790.db2.gz FVBQEKQWETWGIQ-MJGOQNOKSA-N 0 0 343.471 2.171 10 10 EECERN COC(=O)c1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840555377 1315375872 /nfs/dbraw/zinc/37/58/72/1315375872.db2.gz ORWCNHYMZUCPOB-GFCCVEGCSA-N 0 0 345.399 2.197 10 10 EECERN COC(=O)c1ccnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000841187608 1315500616 /nfs/dbraw/zinc/50/06/16/1315500616.db2.gz YFDMSTRDNCVQPY-GFCCVEGCSA-N 0 0 327.384 2.425 10 10 EECERN COC(=O)c1ccnc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000841406118 1315548150 /nfs/dbraw/zinc/54/81/50/1315548150.db2.gz PDMDZGCKYRAPDG-UHFFFAOYSA-N 0 0 340.379 2.383 10 10 EECERN NC(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[nH]1 ZINC001160562947 1320198917 /nfs/dbraw/zinc/19/89/17/1320198917.db2.gz JKTHQAXDPQMKJP-UHFFFAOYSA-N 0 0 346.350 2.076 10 10 EECERN O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1c(F)ccc(O)c1O ZINC001161775032 1320620494 /nfs/dbraw/zinc/62/04/94/1320620494.db2.gz MECBRSMLUDYLRH-SNVBAGLBSA-N 0 0 339.750 2.396 10 10 EECERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H](O)[C@@H](C)O)c1 ZINC001261886383 1322193849 /nfs/dbraw/zinc/19/38/49/1322193849.db2.gz BLSOYTPQVUAEJL-MLGOLLRUSA-N 0 0 336.819 2.219 10 10 EECERN CC(C)(NC(=O)c1cccc(O)c1O)C(=O)NCC1CCCCC1 ZINC001294752253 1329137977 /nfs/dbraw/zinc/13/79/77/1329137977.db2.gz OEMAUHDTZGFVME-UHFFFAOYSA-N 0 0 334.416 2.303 10 10 EECERN CCCC[C@H](CNC(C)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001286091967 1327286018 /nfs/dbraw/zinc/28/60/18/1327286018.db2.gz CUCUZWPCTKRVPG-CQSZACIVSA-N 0 0 333.392 2.274 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/[C@H]1CCOC1 ZINC001290323725 1328175028 /nfs/dbraw/zinc/17/50/28/1328175028.db2.gz FYZPZDPIJCQOKY-PFWMLDTASA-N 0 0 330.428 2.074 10 10 EECERN C/C=C(/C)C(=O)NCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001299138167 1330165530 /nfs/dbraw/zinc/16/55/30/1330165530.db2.gz DNRULHOJAAKLQD-MKHLCDMOSA-N 0 0 343.387 2.194 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC001325738809 1333950405 /nfs/dbraw/zinc/95/04/05/1333950405.db2.gz PJURXQCZQBBWGM-BBRMVZONSA-N 0 0 347.459 2.004 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)CC(F)F ZINC001326411740 1334087821 /nfs/dbraw/zinc/08/78/21/1334087821.db2.gz DBMSNRHYFHGFCV-NSHDSACASA-N 0 0 341.402 2.085 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccns1 ZINC001328785418 1334520882 /nfs/dbraw/zinc/52/08/82/1334520882.db2.gz LGWORWTZPBRCML-LBPRGKRZSA-N 0 0 347.440 2.465 10 10 EECERN Cc1ccc(O)c(CNS(=O)(=O)CCCC2CCOCC2)c1 ZINC001331573440 1335039059 /nfs/dbraw/zinc/03/90/59/1335039059.db2.gz GOBVVJFKKCUXCI-UHFFFAOYSA-N 0 0 327.446 2.327 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cn3c(n2)COCC3)cc1F ZINC001331791513 1335643106 /nfs/dbraw/zinc/64/31/06/1335643106.db2.gz YINKQLWMBJWKOH-UHFFFAOYSA-N 0 0 346.406 2.329 10 10 EECERN CS(=O)(=O)c1cccnc1CNCc1ccc(N2CCCC2)cc1 ZINC001339346256 1336990966 /nfs/dbraw/zinc/99/09/66/1336990966.db2.gz QPTJDWLKFWYNDH-UHFFFAOYSA-N 0 0 345.468 2.375 10 10 EECERN CC[C@]1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCNC1=O ZINC001353920267 1338370261 /nfs/dbraw/zinc/37/02/61/1338370261.db2.gz QKYZSFICMJABMW-IBGZPJMESA-N 0 0 329.444 2.162 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1c[nH]c(=O)cc1C(F)(F)F ZINC001557085476 1342440475 /nfs/dbraw/zinc/44/04/75/1342440475.db2.gz MZWUUZDEHYGZGE-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC001557255986 1342444282 /nfs/dbraw/zinc/44/42/82/1342444282.db2.gz VTIAPXAPRHWRLE-MFKMUULPSA-N 0 0 333.306 2.257 10 10 EECERN NC(=O)C1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001565652694 1342558996 /nfs/dbraw/zinc/55/89/96/1342558996.db2.gz OXJJZIDMLGAIEL-UHFFFAOYSA-N 0 0 334.397 2.086 10 10 EECERN CC(C)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001687890556 1357513180 /nfs/dbraw/zinc/51/31/80/1357513180.db2.gz IEXFURINTYBTMY-CQSZACIVSA-N 0 0 345.403 2.226 10 10 EECERN CC(C)Oc1cccc([C@@H](O)CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001622368156 1352382385 /nfs/dbraw/zinc/38/23/85/1352382385.db2.gz RPYIVXNRUUROQF-SFHVURJKSA-N 0 0 345.395 2.277 10 10 EECERN CCOC(=O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001624103740 1352413738 /nfs/dbraw/zinc/41/37/38/1352413738.db2.gz YVTDNEIYZTWYKB-UHFFFAOYSA-N 0 0 332.360 2.264 10 10 EECERN CCn1nc(C)c(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001627162863 1352485603 /nfs/dbraw/zinc/48/56/03/1352485603.db2.gz KSIIWTZMWIFVSD-UHFFFAOYSA-N 0 0 332.385 2.162 10 10 EECERN O=C(C[C@@H]1C(=O)Nc2c1cccc2F)NCCc1ccc(O)c(O)c1 ZINC001630335555 1352568177 /nfs/dbraw/zinc/56/81/77/1352568177.db2.gz QUDDMLOANNOXSW-LBPRGKRZSA-N 0 0 344.342 2.022 10 10 EECERN COC(=O)/C=C/c1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC001633817856 1352618076 /nfs/dbraw/zinc/61/80/76/1352618076.db2.gz BMDYTJOZJGOSCR-AYLMVEPYSA-N 0 0 345.351 2.238 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001633819229 1352618299 /nfs/dbraw/zinc/61/82/99/1352618299.db2.gz OLKCIMOMCIVMLV-JTQLQIEISA-N 0 0 339.351 2.108 10 10 EECERN O=C(c1ccnc(CO)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001636950682 1352669805 /nfs/dbraw/zinc/66/98/05/1352669805.db2.gz HBJOVXOVPXRPBV-QGZVFWFLSA-N 0 0 342.395 2.101 10 10 EECERN C[C@](O)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl ZINC001638064502 1352684428 /nfs/dbraw/zinc/68/44/28/1352684428.db2.gz GDDPQDXGVNAWHL-KRWDZBQOSA-N 0 0 335.787 2.318 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(F)c1[O-] ZINC001643244979 1352743882 /nfs/dbraw/zinc/74/38/82/1352743882.db2.gz HZTWJKFRSBYYQW-UHFFFAOYSA-N 0 0 347.342 2.442 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)Cc3ccnc(F)c3)C2)cc1 ZINC001643346977 1352746464 /nfs/dbraw/zinc/74/64/64/1352746464.db2.gz RKKSAIBKBABAQQ-HNNXBMFYSA-N 0 0 343.402 2.415 10 10 EECERN CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1cc(O)ccc1O ZINC001644752570 1352768004 /nfs/dbraw/zinc/76/80/04/1352768004.db2.gz KURJEMCINZJGQM-UHFFFAOYSA-N 0 0 340.379 2.401 10 10 EECERN CC(C)C(=O)Nc1nc(CC(=O)NCc2cc(O)ccc2O)cs1 ZINC001644752879 1352768291 /nfs/dbraw/zinc/76/82/91/1352768291.db2.gz ZBXVQUQCGUZBCL-UHFFFAOYSA-N 0 0 349.412 2.008 10 10 EECERN Cc1cc(C(=O)NCc2c(O)ccc3ccccc32)ncc1C(N)=O ZINC001647791848 1353401718 /nfs/dbraw/zinc/40/17/18/1353401718.db2.gz WTJOXYCZEQLCKP-UHFFFAOYSA-N 0 0 335.363 2.278 10 10 EECERN CCOC(=O)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC001650838650 1354031400 /nfs/dbraw/zinc/03/14/00/1354031400.db2.gz DJIKXQJUNOKMTL-GFCCVEGCSA-N 0 0 347.342 2.314 10 10 EECERN C[C@@H]1CCN(c2cc(C(=O)NCc3cc(O)ccc3O)ccn2)C1 ZINC001651225376 1354045051 /nfs/dbraw/zinc/04/50/51/1354045051.db2.gz HJNQMCXYSFPLGL-GFCCVEGCSA-N 0 0 327.384 2.269 10 10 EECERN CCN(C)C(=O)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001680746761 1357914412 /nfs/dbraw/zinc/91/44/12/1357914412.db2.gz KBZIAIXFGYDMRU-HNNXBMFYSA-N 0 0 346.475 2.295 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)COCC(=O)OC(C)(C)C ZINC000843550618 759380231 /nfs/dbraw/zinc/38/02/31/759380231.db2.gz LVGMXEGUJLLCNE-UHFFFAOYSA-N 0 0 336.432 2.036 10 10 EECERN COc1ccc(N2CCN(C(=O)COC(=O)/C=C/C(C)C)CC2)cc1 ZINC000785036407 759496141 /nfs/dbraw/zinc/49/61/41/759496141.db2.gz QMKKEWSOUXHRQH-RUDMXATFSA-N 0 0 346.427 2.099 10 10 EECERN COC(=O)[C@H]1CCN(C(=O)/C=C/c2cnn(C)c2)c2ccccc21 ZINC000130767057 773582468 /nfs/dbraw/zinc/58/24/68/773582468.db2.gz QONSIQQTPLCPTI-KIUWMYQTSA-N 0 0 325.368 2.127 10 10 EECERN O=C(/C=C/c1ccncn1)NCc1ccc(N2CCSCC2)cc1 ZINC000181892152 777897364 /nfs/dbraw/zinc/89/73/64/777897364.db2.gz JHXYTCXNYJZXIF-ZZXKWVIFSA-N 0 0 340.452 2.359 10 10 EECERN O=C(NCCCSc1nccs1)c1cccc2[nH]c(CO)nc21 ZINC000906671981 784068663 /nfs/dbraw/zinc/06/86/63/784068663.db2.gz VMHZCGSXMQTMGI-UHFFFAOYSA-N 0 0 348.453 2.424 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(c3ccccn3)=NO2)c1 ZINC000907059879 784358144 /nfs/dbraw/zinc/35/81/44/784358144.db2.gz IWRHDGHBEGICOI-APPDUMDISA-N 0 0 341.367 2.166 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2nnn(C)c2C(F)(F)F)c1 ZINC000907061273 784358769 /nfs/dbraw/zinc/35/87/69/784358769.db2.gz UFMWLOKCUXLUNN-ZETCQYMHSA-N 0 0 344.293 2.039 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccnn1C ZINC000817521080 784814390 /nfs/dbraw/zinc/81/43/90/784814390.db2.gz QCFSEMZODARODR-AWEZNQCLSA-N 0 0 344.484 2.393 10 10 EECERN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(F)=C3CCC3)cc2)C1 ZINC000819140190 785419743 /nfs/dbraw/zinc/41/97/43/785419743.db2.gz QTXSCFZPVJYQRT-HNNXBMFYSA-N 0 0 345.418 2.412 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3cnc(C)nc3)C2)cc1 ZINC000820872343 786506437 /nfs/dbraw/zinc/50/64/37/786506437.db2.gz BGJNDXGHIPOHAE-ZDUSSCGKSA-N 0 0 327.388 2.194 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000830535430 787671015 /nfs/dbraw/zinc/67/10/15/787671015.db2.gz SPQHVOWIXCUVDX-BBRMVZONSA-N 0 0 326.462 2.048 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCCCCO1 ZINC000823523393 787785019 /nfs/dbraw/zinc/78/50/19/787785019.db2.gz DHTMZNYZGYIFHX-UHFFFAOYSA-N 0 0 333.432 2.275 10 10 EECERN Cc1cnn(C)c1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000824386420 788157024 /nfs/dbraw/zinc/15/70/24/788157024.db2.gz HAJAOXGHTYMAKQ-AWEZNQCLSA-N 0 0 343.431 2.448 10 10 EECERN COC[C@@](C)(O)CC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000824559593 788216028 /nfs/dbraw/zinc/21/60/28/788216028.db2.gz WBXFUCWBSIWTKP-AWEZNQCLSA-N 0 0 332.238 2.340 10 10 EECERN CN1CCCc2cc(CNC(=O)NCC3(CCO)CCC3)ccc21 ZINC000151302082 788818102 /nfs/dbraw/zinc/81/81/02/788818102.db2.gz LAHUZUOMCSWDNV-UHFFFAOYSA-N 0 0 331.460 2.421 10 10 EECERN CC(C)(C)OC(=O)C1(CNC(=O)C2=CC(=O)CS2)CCOCC1 ZINC000844145698 788877674 /nfs/dbraw/zinc/87/76/74/788877674.db2.gz CDRHVQGHNZZOMO-UHFFFAOYSA-N 0 0 341.429 2.322 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N[C@@H](CCF)C2=O)cc1F ZINC000844715141 789319507 /nfs/dbraw/zinc/31/95/07/789319507.db2.gz SRCPRFNXWOVXPA-ZDUSSCGKSA-N 0 0 325.359 2.452 10 10 EECERN COC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000846433966 790157345 /nfs/dbraw/zinc/15/73/45/790157345.db2.gz UUDXPBBKKYYZBG-ZWKOTPCHSA-N 0 0 328.412 2.316 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000785421358 797761993 /nfs/dbraw/zinc/76/19/93/797761993.db2.gz CFSVNHNPJQHJBA-HZPDHXFCSA-N 0 0 329.444 2.017 10 10 EECERN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc(C(N)=O)cc1 ZINC000917858375 798385361 /nfs/dbraw/zinc/38/53/61/798385361.db2.gz AJEYYOOWKHUPLN-FLIBITNWSA-N 0 0 332.363 2.405 10 10 EECERN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cccc(O)c1O ZINC001176564438 798498514 /nfs/dbraw/zinc/49/85/14/798498514.db2.gz AITRGRKBAGXAKS-UHFFFAOYSA-N 0 0 341.323 2.277 10 10 EECERN COc1cc(C(=O)NCc2cccc(O)c2O)cc([N+](=O)[O-])c1C ZINC001176566310 798500081 /nfs/dbraw/zinc/50/00/81/798500081.db2.gz VMJWPAUBIHZYTE-UHFFFAOYSA-N 0 0 332.312 2.253 10 10 EECERN Cc1onc(-c2ccncc2)c1C(=O)NCc1cc(O)ccc1O ZINC001176748167 798547418 /nfs/dbraw/zinc/54/74/18/798547418.db2.gz LKYRDAYUNXIFPJ-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1CCO[C@H](c2ccccc2)O1 ZINC001178912593 799697305 /nfs/dbraw/zinc/69/73/05/799697305.db2.gz USIIJHOMVVOSMA-WMZOPIPTSA-N 0 0 329.352 2.218 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cnn(CC(F)(F)F)c2)cc1 ZINC000786702004 806843908 /nfs/dbraw/zinc/84/39/08/806843908.db2.gz GAXPNDUROGNUFJ-UHFFFAOYSA-N 0 0 326.322 2.441 10 10 EECERN NC(=O)CC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000787946625 807310018 /nfs/dbraw/zinc/31/00/18/807310018.db2.gz UYRTZZLOUKYZLB-UHFFFAOYSA-N 0 0 340.339 2.459 10 10 EECERN Cc1c(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)cnn1C ZINC000790690050 808873805 /nfs/dbraw/zinc/87/38/05/808873805.db2.gz NHADHBFSSBXSNF-UHFFFAOYSA-N 0 0 341.459 2.453 10 10 EECERN CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1nnc2ccccn21 ZINC000790778678 808915229 /nfs/dbraw/zinc/91/52/29/808915229.db2.gz KEPWNSCHSQGJCA-AWEZNQCLSA-N 0 0 326.356 2.268 10 10 EECERN CNC(=O)c1cccc(CCC(=O)NCc2ccc(OC)cc2O)c1 ZINC000794388135 810809808 /nfs/dbraw/zinc/80/98/08/810809808.db2.gz QGOGFHPGKMDJMZ-UHFFFAOYSA-N 0 0 342.395 2.009 10 10 EECERN C[C@H](NC(=O)N1CCO[C@@]2(CCCOC2)C1)c1ccc(N(C)C)cc1 ZINC000805308647 811207365 /nfs/dbraw/zinc/20/73/65/811207365.db2.gz HGAWBMDVLCNFDJ-KXBFYZLASA-N 0 0 347.459 2.405 10 10 EECERN C[C@@H](OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccn1C ZINC000806313265 811819719 /nfs/dbraw/zinc/81/97/19/811819719.db2.gz LVTVLUOAFWGFKS-CQSZACIVSA-N 0 0 330.432 2.222 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000808516732 812686727 /nfs/dbraw/zinc/68/67/27/812686727.db2.gz KWCRJVKEKLKIJH-AWEZNQCLSA-N 0 0 331.412 2.031 10 10 EECERN CC(=O)C(=O)COC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000808532259 812702747 /nfs/dbraw/zinc/70/27/47/812702747.db2.gz PYDWJROBAAQZJB-UHFFFAOYSA-N 0 0 341.404 2.115 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000808531733 812703535 /nfs/dbraw/zinc/70/35/35/812703535.db2.gz XMVDFTKFHKFJFB-UHFFFAOYSA-N 0 0 325.320 2.254 10 10 EECERN CCCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccc(F)cc1 ZINC000808535793 812707948 /nfs/dbraw/zinc/70/79/48/812707948.db2.gz ZLYMHRHTFWSKJE-UHFFFAOYSA-N 0 0 332.331 2.279 10 10 EECERN C[C@@H](C(=O)NCc1ccc(O)c(O)c1)n1ccc2ccccc2c1=O ZINC001566359261 1125596915 /nfs/dbraw/zinc/59/69/15/1125596915.db2.gz XNUSHFQZODFZRZ-LBPRGKRZSA-N 0 0 338.363 2.290 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cc(Br)cnc1F ZINC001566358524 1125597156 /nfs/dbraw/zinc/59/71/56/1125597156.db2.gz FKXZMTZTZGGBDT-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN NC(=O)c1ccc(/C=C\C(=O)NCCCSc2nccs2)o1 ZINC001464904171 1110407326 /nfs/dbraw/zinc/40/73/26/1110407326.db2.gz ZMULEIVMKOSECR-HYXAFXHYSA-N 0 0 337.426 2.147 10 10 EECERN COC(=O)[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001465758738 1110423334 /nfs/dbraw/zinc/42/33/34/1110423334.db2.gz XWRRVTFIKVOVDY-KRWDZBQOSA-N 0 0 329.352 2.013 10 10 EECERN COc1cccc(CCC(=O)NCc2c(O)cccc2O)c1OC ZINC001472061335 1110540496 /nfs/dbraw/zinc/54/04/96/1110540496.db2.gz NHBJMBRUOJHFTC-UHFFFAOYSA-N 0 0 331.368 2.364 10 10 EECERN COC(=O)CN(C(=O)/C(C)=C/c1cccnc1)c1cccc(C)n1 ZINC001538879245 1124038433 /nfs/dbraw/zinc/03/84/33/1124038433.db2.gz IAKBYWDGOVKBLW-JLHYYAGUSA-N 0 0 325.368 2.395 10 10 EECERN CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)C1=CC(=O)CS1 ZINC001545192135 1124182916 /nfs/dbraw/zinc/18/29/16/1124182916.db2.gz BTADZNWXBVBRDS-UHFFFAOYSA-N 0 0 343.401 2.067 10 10 EECERN Cn1cc([C@@H]2NC(=O)CC[C@@H]2[NH2+]Cc2ccc3c(c2)CCN3C)cn1 ZINC000328588535 258044657 /nfs/dbraw/zinc/04/46/57/258044657.db2.gz HWLLSSBAUKKNNJ-LPHOPBHVSA-N 0 0 339.443 2.362 10 10 EECERN OCCOc1cncc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000133187116 462906505 /nfs/dbraw/zinc/90/65/05/462906505.db2.gz JDHJCIXYLQJKEF-UHFFFAOYSA-N 0 0 346.456 2.013 10 10 EECERN Cc1ccc(C)n1-c1ccc(CC(=O)NCC(=O)NC2CC2)cc1 ZINC000057137865 463455719 /nfs/dbraw/zinc/45/57/19/463455719.db2.gz BIJGPSGCIRSNMH-UHFFFAOYSA-N 0 0 325.412 2.031 10 10 EECERN Cc1noc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000171190110 463807361 /nfs/dbraw/zinc/80/73/61/463807361.db2.gz RMUXJDZNMPHOAP-UHFFFAOYSA-N 0 0 329.404 2.020 10 10 EECERN COc1c([O-])c(C[NH2+]C[C@@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278846876 463998305 /nfs/dbraw/zinc/99/83/05/463998305.db2.gz KRZXKAXZDFQCDK-AWEZNQCLSA-N 0 0 332.356 2.002 10 10 EECERN Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)c(O)c1O ZINC000179490457 464146360 /nfs/dbraw/zinc/14/63/60/464146360.db2.gz YOVBDGCHCSHBJH-HNNXBMFYSA-N 0 0 340.379 2.284 10 10 EECERN CC(C)c1n[nH]cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000189168902 464450120 /nfs/dbraw/zinc/45/01/20/464450120.db2.gz HHHVSLISQIUBBA-UHFFFAOYSA-N 0 0 346.406 2.439 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000273371130 464713856 /nfs/dbraw/zinc/71/38/56/464713856.db2.gz CMRGXMUFXYJUFZ-VCANKDNSSA-N 0 0 334.416 2.277 10 10 EECERN CO[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[C@@H]1C ZINC000275790555 464789281 /nfs/dbraw/zinc/78/92/81/464789281.db2.gz AVMHZHDYZMETOO-MAUKXSAKSA-N 0 0 347.459 2.090 10 10 EECERN COc1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C(N)=O)c1O ZINC000184675161 465016560 /nfs/dbraw/zinc/01/65/60/465016560.db2.gz QDOJIJBMBWCDOL-HNNXBMFYSA-N 0 0 346.814 2.466 10 10 EECERN NC(=O)c1cncc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000301551109 465984475 /nfs/dbraw/zinc/98/44/75/465984475.db2.gz YGTUKSAGVKLFHK-UHFFFAOYSA-N 0 0 337.358 2.490 10 10 EECERN CCC(=O)N1CSC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000733973164 577266636 /nfs/dbraw/zinc/26/66/36/577266636.db2.gz VYOXQAKMOOZACG-SNVBAGLBSA-N 0 0 345.515 2.053 10 10 EECERN Cc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)sc2nccn12 ZINC000773741578 577362242 /nfs/dbraw/zinc/36/22/42/577362242.db2.gz KYMUAPBQUBSGLA-SECBINFHSA-N 0 0 331.397 2.476 10 10 EECERN O=C(NCCCSc1nccs1)N1CCO[C@@H](C2CC2)C1 ZINC000777246046 577475676 /nfs/dbraw/zinc/47/56/76/577475676.db2.gz CUJMKMNVYPOQHP-GFCCVEGCSA-N 0 0 327.475 2.446 10 10 EECERN COc1cc(C)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC000754738492 577811780 /nfs/dbraw/zinc/81/17/80/577811780.db2.gz DIQQCWBJCHLLCL-GOEBONIOSA-N 0 0 339.457 2.251 10 10 EECERN Cc1cc(C(=O)N2C[C@H](O)C[C@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000755431860 577825106 /nfs/dbraw/zinc/82/51/06/577825106.db2.gz DYPTYOLZDXYPJF-IYBDPMFKSA-N 0 0 348.830 2.315 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)Cn2cncn2)cc1 ZINC000749212653 577972889 /nfs/dbraw/zinc/97/28/89/577972889.db2.gz LAQYEXZTWBRNIC-OAHLLOKOSA-N 0 0 344.463 2.354 10 10 EECERN Cc1ccc(C(=O)NCc2cc(Br)ccc2O)c(=O)[nH]1 ZINC000804735911 675609930 /nfs/dbraw/zinc/60/99/30/675609930.db2.gz HYWCYVTVUHPWMW-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN COc1cccc(CNS(=O)(=O)c2ccc(F)cc2C)c1O ZINC000161114986 676920813 /nfs/dbraw/zinc/92/08/13/676920813.db2.gz VVMQRSSXKIUKMF-UHFFFAOYSA-N 0 0 325.361 2.327 10 10 EECERN CC[C@H](C)NC(=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895805912 684731518 /nfs/dbraw/zinc/73/15/18/684731518.db2.gz JYVHRWJQILAEAS-VIFPVBQESA-N 0 0 336.413 2.347 10 10 EECERN CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897201837 686237905 /nfs/dbraw/zinc/23/79/05/686237905.db2.gz MPCICNPWLDTBKH-NSHDSACASA-N 0 0 348.424 2.253 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@H](O)c1ccccc1C(F)(F)F ZINC001142533631 1188238097 /nfs/dbraw/zinc/23/80/97/1188238097.db2.gz OHVKRAOZXUNGDN-CQSZACIVSA-N 0 0 341.285 2.466 10 10 EECERN C[C@@H]1CCC[C@@H](CCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842040861 1188240018 /nfs/dbraw/zinc/24/00/18/1188240018.db2.gz OIRHQYJCEQRCPF-ZBFHGGJFSA-N 0 0 331.460 2.260 10 10 EECERN Nc1ccc(Cc2noc([C@@H]3OCCO[C@@H]3C(F)(F)F)n2)cc1 ZINC000872171382 1198068891 /nfs/dbraw/zinc/06/88/91/1198068891.db2.gz SXVFSLRYFDBGJA-NEPJUHHUSA-N 0 0 329.278 2.261 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)c1nnc(C2CC2)o1 ZINC000865907144 1198421015 /nfs/dbraw/zinc/42/10/15/1198421015.db2.gz CKSXEJKDCCWZIZ-UHFFFAOYSA-N 0 0 344.440 2.430 10 10 EECERN COC(=O)CC[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000873860342 1198722418 /nfs/dbraw/zinc/72/24/18/1198722418.db2.gz JEWPJGMSIUWRRR-DLBZAZTESA-N 0 0 348.443 2.212 10 10 EECERN CO[C@H](C)[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811958037 1200431598 /nfs/dbraw/zinc/43/15/98/1200431598.db2.gz QIZZNDDHAPAUMJ-RKDXNWHRSA-N 0 0 331.210 2.377 10 10 EECERN Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871207930 1201100278 /nfs/dbraw/zinc/10/02/78/1201100278.db2.gz VAINANPYMAKMBR-UHFFFAOYSA-N 0 0 343.383 2.237 10 10 EECERN Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nn2c1OCCC2 ZINC000826137774 1201327778 /nfs/dbraw/zinc/32/77/78/1201327778.db2.gz YCNKBOWMNZKJRY-UHFFFAOYSA-N 0 0 341.411 2.488 10 10 EECERN CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)N1CCOCC1 ZINC000868022972 1201728866 /nfs/dbraw/zinc/72/88/66/1201728866.db2.gz RSAKFFYOVSAWRJ-GOEBONIOSA-N 0 0 335.448 2.109 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCN(c2ccccn2)C1)c1ccccc1O ZINC000868436165 1201811835 /nfs/dbraw/zinc/81/18/35/1201811835.db2.gz KAIPYZSZQSIDKA-KBPBESRZSA-N 0 0 326.400 2.426 10 10 EECERN COC(=O)CC1CC(NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000924921207 1206051417 /nfs/dbraw/zinc/05/14/17/1206051417.db2.gz OYWDZTFVEROFMJ-UHFFFAOYSA-N 0 0 346.427 2.412 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCCc2cc(C)n(C)n2)c1 ZINC000926372387 1206216448 /nfs/dbraw/zinc/21/64/48/1206216448.db2.gz QCIDPLJTKWHPTQ-LBPRGKRZSA-N 0 0 332.404 2.046 10 10 EECERN COc1ccc(N(C)CCN(C)Cc2[nH]nc3c2COCC3)cc1 ZINC000930852573 1206587673 /nfs/dbraw/zinc/58/76/73/1206587673.db2.gz LPWCJZYGZRYNGE-UHFFFAOYSA-N 0 0 330.432 2.059 10 10 EECERN CC(C)(C)CC(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779499353 1210395935 /nfs/dbraw/zinc/39/59/35/1210395935.db2.gz LBVDACDMORSGNY-FNORWQNLSA-N 0 0 346.427 2.218 10 10 EECERN C/C=C\[C@@H](O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000900509819 1234428726 /nfs/dbraw/zinc/42/87/26/1234428726.db2.gz YVWLKBSIZOGFAA-MPNWYJEXSA-N 0 0 340.370 2.310 10 10 EECERN Cn1ncc(C2CCC2)c1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000849989732 1276978213 /nfs/dbraw/zinc/97/82/13/1276978213.db2.gz KDZVVESTUVXMGY-UHFFFAOYSA-N 0 0 330.340 2.139 10 10 EECERN C[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])CS1(=O)=O ZINC000850368223 1277202605 /nfs/dbraw/zinc/20/26/05/1277202605.db2.gz JWTNESCBBHLDAD-ONGXEEELSA-N 0 0 348.262 2.210 10 10 EECERN C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850507341 1277252816 /nfs/dbraw/zinc/25/28/16/1277252816.db2.gz IVJACAHPYDAIKM-IAQYHMDHSA-N 0 0 349.349 2.230 10 10 EECERN COc1ccc(N2CCN(CC(=O)OCC(C)C)CC2)c(OC)c1 ZINC001197105975 1284462575 /nfs/dbraw/zinc/46/25/75/1284462575.db2.gz VIXZRQXBYWBNTN-UHFFFAOYSA-N 0 0 336.432 2.025 10 10 EECERN Cc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000867410015 1289797200 /nfs/dbraw/zinc/79/72/00/1289797200.db2.gz UKIWMHRMLBSXDW-CQSZACIVSA-N 0 0 348.472 2.069 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](OC)C3(C)C)C2)cc1 ZINC000852179396 1292028920 /nfs/dbraw/zinc/02/89/20/1292028920.db2.gz FTPWJQFENXIBCC-IAOVAPTHSA-N 0 0 347.459 2.387 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)[C@H]3CCCOC3)C2)cc1 ZINC000852247925 1292061888 /nfs/dbraw/zinc/06/18/88/1292061888.db2.gz NBYMYKJCOGKHOZ-JYJNAYRXSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCOCC3CCC3)C2)cc1 ZINC000852256237 1292066369 /nfs/dbraw/zinc/06/63/69/1292066369.db2.gz UGRQABOFJMRWJK-MRXNPFEDSA-N 0 0 347.459 2.390 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[C@H]3CCO)C2)cc1 ZINC000854008944 1292581151 /nfs/dbraw/zinc/58/11/51/1292581151.db2.gz XAYPDBKVUKHSDN-MPGHIAIKSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000854296851 1292707938 /nfs/dbraw/zinc/70/79/38/1292707938.db2.gz HCSFJTCHQWCKGC-RLFYNMQTSA-N 0 0 347.459 2.124 10 10 EECERN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854906833 1292987939 /nfs/dbraw/zinc/98/79/39/1292987939.db2.gz YFPNOFHVJRUIQO-WDNDVIMCSA-N 0 0 336.382 2.464 10 10 EECERN CO[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 ZINC000854949882 1292998855 /nfs/dbraw/zinc/99/88/55/1292998855.db2.gz YXMCAMQWBSYHDX-LESCRADOSA-N 0 0 334.460 2.160 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnn(C(C)C)c3N)C2)cc1 ZINC000855225489 1293117937 /nfs/dbraw/zinc/11/79/37/1293117937.db2.gz NTPIADPSYGWKTK-ZDUSSCGKSA-N 0 0 343.431 2.064 10 10 EECERN CCc1nnsc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228619 1293120677 /nfs/dbraw/zinc/12/06/77/1293120677.db2.gz FKPLGJASQGCXBZ-LLVKDONJSA-N 0 0 332.429 2.118 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3nccs3)C2)cc1 ZINC000855228648 1293120777 /nfs/dbraw/zinc/12/07/77/1293120777.db2.gz BZURPJRJUNPSLM-ZDUSSCGKSA-N 0 0 331.441 2.479 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccn(C(C)C)n3)C2)cc1 ZINC000855231067 1293120932 /nfs/dbraw/zinc/12/09/32/1293120932.db2.gz JBNWEHCISDIIDW-AWEZNQCLSA-N 0 0 328.416 2.481 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)COc3ccccc3)C2)cc1 ZINC000855235164 1293123098 /nfs/dbraw/zinc/12/30/98/1293123098.db2.gz ZSUYYOVWAXVCEF-OAHLLOKOSA-N 0 0 326.396 2.469 10 10 EECERN COC(=O)CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCC1 ZINC000855447759 1293215854 /nfs/dbraw/zinc/21/58/54/1293215854.db2.gz WMMYJKCCUKLXQA-NTMALXAHSA-N 0 0 333.384 2.445 10 10 EECERN COC(=O)C12CC(C1)CN2C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000855520440 1293246719 /nfs/dbraw/zinc/24/67/19/1293246719.db2.gz OTHQFFDSPQRYPA-UHFFFAOYSA-N 0 0 339.395 2.267 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000858368898 1294097456 /nfs/dbraw/zinc/09/74/56/1294097456.db2.gz PFSIBKWQBXPKJD-SUMWQHHRSA-N 0 0 344.459 2.266 10 10 EECERN CC1(C)C[C@@H](S(=O)(=O)NCCCSc2nccs2)CO1 ZINC000858980570 1294283490 /nfs/dbraw/zinc/28/34/90/1294283490.db2.gz MTWSAXFCXAVZJK-SNVBAGLBSA-N 0 0 336.504 2.112 10 10 EECERN COC(=O)c1cnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000859082147 1294312574 /nfs/dbraw/zinc/31/25/74/1294312574.db2.gz PAKGODRXFOLECC-UHFFFAOYSA-N 0 0 340.427 2.494 10 10 EECERN COCCn1cc(C(=O)NCc2ccc3cccnc3c2O)c(C)n1 ZINC000862026858 1295661186 /nfs/dbraw/zinc/66/11/86/1295661186.db2.gz AXYHFEBSIOJROB-UHFFFAOYSA-N 0 0 340.383 2.022 10 10 EECERN CO[C@](C)(CO)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000862139919 1295716959 /nfs/dbraw/zinc/71/69/59/1295716959.db2.gz OWWVMAWFTIVXPR-IBGZPJMESA-N 0 0 344.411 2.034 10 10 EECERN O=C(Cc1ccccc1O[C@H]1CCOC1)NCc1cccc(O)c1O ZINC001123977445 1310788354 /nfs/dbraw/zinc/78/83/54/1310788354.db2.gz GTRODCPHHKZVOS-HNNXBMFYSA-N 0 0 343.379 2.124 10 10 EECERN COc1ccn2c(c1)ncc2C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001138153064 1314558180 /nfs/dbraw/zinc/55/81/80/1314558180.db2.gz XFZKXYDDVJCTGC-NSHDSACASA-N 0 0 341.367 2.115 10 10 EECERN CCn1nnc(C)c1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839921066 1315259832 /nfs/dbraw/zinc/25/98/32/1315259832.db2.gz GXSUXFDORPTMNO-CYBMUJFWSA-N 0 0 329.448 2.342 10 10 EECERN Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000839927292 1315260451 /nfs/dbraw/zinc/26/04/51/1315260451.db2.gz WTUZFRRQYCNIBV-KDOFPFPSSA-N 0 0 346.402 2.455 10 10 EECERN Cc1nc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840310958 1315349545 /nfs/dbraw/zinc/34/95/45/1315349545.db2.gz VVAYZMQWQLGDKK-LBPRGKRZSA-N 0 0 331.420 2.183 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000840380632 1315359424 /nfs/dbraw/zinc/35/94/24/1315359424.db2.gz AVLFXSFQAXOTCK-XUZWKGRJSA-N 0 0 346.383 2.378 10 10 EECERN Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000841131495 1315484841 /nfs/dbraw/zinc/48/48/41/1315484841.db2.gz IYAASHGEKGNQLL-IAGOWNOFSA-N 0 0 339.395 2.244 10 10 EECERN Nc1ccc(CCNC(=O)C(=O)N2CCCC[C@@H]2C2CCC2)cc1 ZINC000843265302 1315877267 /nfs/dbraw/zinc/87/72/67/1315877267.db2.gz SGOFZSGXPFJRGN-QGZVFWFLSA-N 0 0 329.444 2.109 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cc2cc(F)ccc2[nH]c1=O ZINC001150378812 1316247917 /nfs/dbraw/zinc/24/79/17/1316247917.db2.gz WCVDWAQSKMREIK-UHFFFAOYSA-N 0 0 328.299 2.008 10 10 EECERN Cc1cc(Cn2nnc(C(=O)N[C@H](C)c3ccccc3O)c2C)no1 ZINC001151885783 1316603107 /nfs/dbraw/zinc/60/31/07/1316603107.db2.gz HDECCSNTZDZBAZ-LLVKDONJSA-N 0 0 341.371 2.128 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC001153884780 1316908358 /nfs/dbraw/zinc/90/83/58/1316908358.db2.gz HYCKDZDDMWNWCL-GDBMZVCRSA-N 0 0 327.336 2.018 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC001154068935 1316948090 /nfs/dbraw/zinc/94/80/90/1316948090.db2.gz FWSJPNKCBGHHIB-PKYBCLHXSA-N 0 0 347.798 2.484 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc(N2CCOC2=O)ccc1F ZINC001156881195 1318257069 /nfs/dbraw/zinc/25/70/69/1318257069.db2.gz UHXKPLZPWUYMSU-UHFFFAOYSA-N 0 0 346.314 2.124 10 10 EECERN COCCOc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001160559558 1320197019 /nfs/dbraw/zinc/19/70/19/1320197019.db2.gz JWDPAJTWAPMHIY-UHFFFAOYSA-N 0 0 335.331 2.192 10 10 EECERN COCCO[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001262119499 1322238735 /nfs/dbraw/zinc/23/87/35/1322238735.db2.gz AQOBFKBTTIXFJA-NSHDSACASA-N 0 0 337.397 2.190 10 10 EECERN C[C@@]1(C(=O)[O-])C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC001262164853 1322250485 /nfs/dbraw/zinc/25/04/85/1322250485.db2.gz WZTXCFMWNBCUOO-XPTSAGLGSA-N 0 0 344.205 2.267 10 10 EECERN COc1ccc(C[C@@H]2CCN2C(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001294512293 1329051216 /nfs/dbraw/zinc/05/12/16/1329051216.db2.gz NEWBUHMDCSBXJX-HNNXBMFYSA-N 0 0 327.380 2.493 10 10 EECERN CCCC(=O)NC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001280413944 1324209376 /nfs/dbraw/zinc/20/93/76/1324209376.db2.gz GNIIFCHRMLIRIX-NSHDSACASA-N 0 0 333.392 2.226 10 10 EECERN C[C@@H](CNC(=O)C1(C)CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284301330 1326495623 /nfs/dbraw/zinc/49/56/23/1326495623.db2.gz PJVDPFBWXWRZLO-NSHDSACASA-N 0 0 345.403 2.274 10 10 EECERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)CCC(=O)N2 ZINC001292792033 1328509289 /nfs/dbraw/zinc/50/92/89/1328509289.db2.gz HYBVMNPXODIGQY-NSHDSACASA-N 0 0 340.379 2.402 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)Cc2ccccc2)cc1 ZINC001297611979 1329989045 /nfs/dbraw/zinc/98/90/45/1329989045.db2.gz DJGJNGNFIBJFGM-OAHLLOKOSA-N 0 0 326.356 2.182 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC001298553891 1330099361 /nfs/dbraw/zinc/09/93/61/1330099361.db2.gz DQCOJTZSTFUACC-GFCCVEGCSA-N 0 0 346.349 2.031 10 10 EECERN Cc1ccc(O)c(CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 ZINC001301047224 1331287710 /nfs/dbraw/zinc/28/77/10/1331287710.db2.gz UAOCQGLLXWWYIX-UHFFFAOYSA-N 0 0 349.390 2.241 10 10 EECERN COCCNc1nc(CC(=O)N[C@H](C)c2ccccc2O)cs1 ZINC001302532689 1331328463 /nfs/dbraw/zinc/32/84/63/1331328463.db2.gz OXPSACTYRNINET-LLVKDONJSA-N 0 0 335.429 2.327 10 10 EECERN Cc1cc(-c2nc(C(=O)NCc3cccc(O)c3O)co2)ccn1 ZINC001303194424 1331348038 /nfs/dbraw/zinc/34/80/38/1331348038.db2.gz ARKBVTUUQXZSJH-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN C[C@H](NC(=O)CCC(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001303225561 1331350773 /nfs/dbraw/zinc/35/07/73/1331350773.db2.gz MEAYVONDFNSBRJ-ZDUSSCGKSA-N 0 0 342.395 2.372 10 10 EECERN CCN(OC)C(=O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001328898216 1334543746 /nfs/dbraw/zinc/54/37/46/1334543746.db2.gz WFKSQHQVZUZGGT-UHFFFAOYSA-N 0 0 343.427 2.163 10 10 EECERN C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1c1ccccc1 ZINC001329476509 1334658766 /nfs/dbraw/zinc/65/87/66/1334658766.db2.gz BMTUTGIAEPVZON-ACJLOTCBSA-N 0 0 336.391 2.454 10 10 EECERN Cc1cnc(F)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001332738820 1335895665 /nfs/dbraw/zinc/89/56/65/1335895665.db2.gz MPPZMAYOPNUBQJ-UHFFFAOYSA-N 0 0 329.375 2.296 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H](C(N)=O)C2)cc1F ZINC001332739987 1335895989 /nfs/dbraw/zinc/89/59/89/1335895989.db2.gz ZZCGTKNIZMDIRT-UONOGXRCSA-N 0 0 335.423 2.190 10 10 EECERN Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCOCC3)cc2)cn1 ZINC001338306966 1336838003 /nfs/dbraw/zinc/83/80/03/1336838003.db2.gz BDLXHPSXCNDHAC-UHFFFAOYSA-N 0 0 342.443 2.080 10 10 EECERN C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1O)C1CCC(F)CC1 ZINC001347698951 1337519195 /nfs/dbraw/zinc/51/91/95/1337519195.db2.gz LVUTUMNHRLIFFY-OPFPJEHXSA-N 0 0 336.407 2.384 10 10 EECERN CC(C)(C)OC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001348597923 1337562899 /nfs/dbraw/zinc/56/28/99/1337562899.db2.gz ZGVKLZSNBFGBJD-UHFFFAOYSA-N 0 0 346.427 2.041 10 10 EECERN CCC1CCN(S(=O)(=O)Nc2ccc(O)cc2COC)CC1 ZINC000849310165 1339151815 /nfs/dbraw/zinc/15/18/15/1339151815.db2.gz SYKYMDTXDDSOOT-UHFFFAOYSA-N 0 0 328.434 2.317 10 10 EECERN CCCNC(=O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001614981562 1352322322 /nfs/dbraw/zinc/32/23/22/1352322322.db2.gz OVYLVABCALMGIY-UHFFFAOYSA-N 0 0 343.431 2.024 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cnc2c(F)cc(F)cc2c1O ZINC001557085170 1342440388 /nfs/dbraw/zinc/44/03/88/1342440388.db2.gz DDZKVFCWCYJJMV-UHFFFAOYSA-N 0 0 346.289 2.148 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccc(-c2ccco2)[nH]c1=O ZINC001558159167 1342466049 /nfs/dbraw/zinc/46/60/49/1342466049.db2.gz ACCTYGWRUVHDKZ-UHFFFAOYSA-N 0 0 326.308 2.388 10 10 EECERN O=C(NCc1ncc(Br)cn1)N1Cc2cccc(O)c2C1 ZINC001565440890 1342555450 /nfs/dbraw/zinc/55/54/50/1342555450.db2.gz BTFKFYIQKLNQLD-UHFFFAOYSA-N 0 0 349.188 2.170 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)CONC(=O)OC(C)(C)C)c1 ZINC001595806805 1349895761 /nfs/dbraw/zinc/89/57/61/1349895761.db2.gz VXVCPWOHOYLDRV-JTQLQIEISA-N 0 0 340.376 2.034 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@@]3(C)CC(C)=NO3)CC2)cc1 ZINC001596732614 1349911612 /nfs/dbraw/zinc/91/16/12/1349911612.db2.gz FPJMGHKZCWFXEX-GOSISDBHSA-N 0 0 331.416 2.289 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001597573254 1349928212 /nfs/dbraw/zinc/92/82/12/1349928212.db2.gz BCCHUMUWSSGINH-UHFFFAOYSA-N 0 0 345.305 2.492 10 10 EECERN COc1cccc(O[C@@H](C)CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001629936937 1352560965 /nfs/dbraw/zinc/56/09/65/1352560965.db2.gz LNMMALWCLMBIJJ-LBPRGKRZSA-N 0 0 331.368 2.233 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1COc2ccccc2O1 ZINC001630526974 1352570078 /nfs/dbraw/zinc/57/00/78/1352570078.db2.gz IRADBPFMJKCEQD-INIZCTEOSA-N 0 0 336.347 2.397 10 10 EECERN Cc1ccc(C2=NO[C@H](C(=O)NCc3ccc(O)c(O)c3)C2)cc1 ZINC001631438192 1352583624 /nfs/dbraw/zinc/58/36/24/1352583624.db2.gz AHESSQHETLLOKY-KRWDZBQOSA-N 0 0 326.352 2.216 10 10 EECERN COC(=O)c1cc(F)cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001632681044 1352600931 /nfs/dbraw/zinc/60/09/31/1352600931.db2.gz LTPJACMPFNHFGJ-JTQLQIEISA-N 0 0 347.342 2.385 10 10 EECERN CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1cc(O)ccc1O ZINC001637122203 1352672134 /nfs/dbraw/zinc/67/21/34/1352672134.db2.gz BFCXFIHIEFPDIY-UHFFFAOYSA-N 0 0 349.408 2.210 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)cc1 ZINC001640011610 1352704423 /nfs/dbraw/zinc/70/44/23/1352704423.db2.gz YMGJATHPHPITCW-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN O=C(C[C@H]1CCC2(CCOCC2)CO1)NCc1c(O)cccc1O ZINC001647289608 1353220145 /nfs/dbraw/zinc/22/01/45/1353220145.db2.gz FCDCYNHGHKFYSA-CYBMUJFWSA-N 0 0 335.400 2.080 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001650862747 1354031910 /nfs/dbraw/zinc/03/19/10/1354031910.db2.gz UZDJYIGGGNQNDC-UHFFFAOYSA-N 0 0 332.287 2.344 10 10 EECERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406979 759586607 /nfs/dbraw/zinc/58/66/07/759586607.db2.gz BZPPOBKVELSPPT-BPOWMSRESA-N 0 0 329.400 2.209 10 10 EECERN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1(C(F)F)CC1 ZINC000843605776 760297965 /nfs/dbraw/zinc/29/79/65/760297965.db2.gz UIDKBYKTCVUAQE-UHFFFAOYSA-N 0 0 346.324 2.463 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1nc2c(cnn2C)c(N)n1 ZINC000840384321 782598069 /nfs/dbraw/zinc/59/80/69/782598069.db2.gz HMDQRPOVCAMQGF-LBPRGKRZSA-N 0 0 339.447 2.363 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N2CCC23CCCC3)cc1F ZINC000846726381 790467714 /nfs/dbraw/zinc/46/77/14/790467714.db2.gz CYKHFVBZYNBPGV-UHFFFAOYSA-N 0 0 333.407 2.053 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)C1(c2ccc3c(c2)OCCO3)CC1 ZINC000907061474 784359252 /nfs/dbraw/zinc/35/92/52/784359252.db2.gz WLLWJLJPCXADLG-UHFFFAOYSA-N 0 0 341.363 2.217 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2 ZINC000817193744 784574607 /nfs/dbraw/zinc/57/46/07/784574607.db2.gz AAVKCZCFWRERSW-UHFFFAOYSA-N 0 0 344.342 2.205 10 10 EECERN CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)C1CC(C)(C)C1 ZINC000817274786 784652995 /nfs/dbraw/zinc/65/29/95/784652995.db2.gz RAFLDFBMLVVTLF-UHFFFAOYSA-N 0 0 331.460 2.406 10 10 EECERN COc1ccc2[nH]cc(CCNC(=O)Cc3ccc(O)c(O)c3)c2c1 ZINC001146253265 791134480 /nfs/dbraw/zinc/13/44/80/791134480.db2.gz QNESEUSYBIOMFE-UHFFFAOYSA-N 0 0 340.379 2.489 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cccnc2OCCO)cc1 ZINC001136300301 785781870 /nfs/dbraw/zinc/78/18/70/785781870.db2.gz LMYIXCCOUAWISE-UHFFFAOYSA-N 0 0 343.427 2.229 10 10 EECERN O=C(C[C@@H](n1ccnc1)C(F)(F)F)NCc1ccc(O)cc1O ZINC000910943785 787147148 /nfs/dbraw/zinc/14/71/48/787147148.db2.gz OSBORCWZPLQCFY-GFCCVEGCSA-N 0 0 329.278 2.104 10 10 EECERN Cc1cc(CC(=O)NCCC(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000822417464 787191734 /nfs/dbraw/zinc/19/17/34/787191734.db2.gz OINIUXPEYRPIFJ-UHFFFAOYSA-N 0 0 327.428 2.231 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3ncccc3OC)C2)cc1 ZINC000822512611 787252848 /nfs/dbraw/zinc/25/28/48/787252848.db2.gz GIGCTDQNXKPDJQ-ZDUSSCGKSA-N 0 0 342.399 2.499 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)NCC[C@H]3CCOC3)C2)cc1 ZINC000823462634 787761691 /nfs/dbraw/zinc/76/16/91/787761691.db2.gz WIANFNHGLXFRNL-HOTGVXAUSA-N 0 0 347.459 2.247 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(C)(C)OC)C2)cc1 ZINC000923185758 789079318 /nfs/dbraw/zinc/07/93/18/789079318.db2.gz PZARFYQXSQNBCK-KBPBESRZSA-N 0 0 335.448 2.387 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000921545637 789156781 /nfs/dbraw/zinc/15/67/81/789156781.db2.gz UQINAMDYBYYTHP-MEDUHNTESA-N 0 0 340.420 2.385 10 10 EECERN Cc1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1C ZINC000846438879 790159677 /nfs/dbraw/zinc/15/96/77/790159677.db2.gz DCCQSRHZKREUFV-GASCZTMLSA-N 0 0 325.412 2.396 10 10 EECERN NC(=O)N[C@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001175029553 797970268 /nfs/dbraw/zinc/97/02/68/797970268.db2.gz HRECZZSEKHQLEU-OAHLLOKOSA-N 0 0 325.368 2.034 10 10 EECERN COC(=O)CC1CC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000922053988 798768070 /nfs/dbraw/zinc/76/80/70/798768070.db2.gz HWRYVTWSEHUSLN-DNOWBOINSA-N 0 0 333.432 2.455 10 10 EECERN C[C@@H](NC(=O)NCCOC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000922055177 798770520 /nfs/dbraw/zinc/77/05/20/798770520.db2.gz NGIKKIKXGJNATM-CQSZACIVSA-N 0 0 335.448 2.308 10 10 EECERN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1c(O)cccc1F ZINC000922182127 799691767 /nfs/dbraw/zinc/69/17/67/799691767.db2.gz DODNGTDJWWANFP-JTQLQIEISA-N 0 0 341.383 2.244 10 10 EECERN Cc1cc(C(=O)OCCO[C@H]2CCOC2)c(C)n1-c1ccccn1 ZINC000922324039 800567800 /nfs/dbraw/zinc/56/78/00/800567800.db2.gz WUJKNAXRSGYJBE-HNNXBMFYSA-N 0 0 330.384 2.451 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)c2cccnc2C(N)=O)cc1 ZINC000786766096 806881611 /nfs/dbraw/zinc/88/16/11/806881611.db2.gz MQTCMLHONADRAM-UHFFFAOYSA-N 0 0 340.427 2.299 10 10 EECERN Cc1ccnc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000792274949 809691563 /nfs/dbraw/zinc/69/15/63/809691563.db2.gz XNCJNNDBPWFZAA-HNNXBMFYSA-N 0 0 327.384 2.312 10 10 EECERN COc1ccc(CNC(=O)NCC[C@H](OC)C(F)(F)F)c(O)c1 ZINC000793072519 810127130 /nfs/dbraw/zinc/12/71/30/810127130.db2.gz FSTMWKOZHKLMIF-LBPRGKRZSA-N 0 0 336.310 2.167 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCOC[C@@H]1C ZINC000809389180 813121569 /nfs/dbraw/zinc/12/15/69/813121569.db2.gz UPABKEGSEJUQMM-YOEHRIQHSA-N 0 0 340.489 2.329 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1cc(C)n(NC(N)=O)c1C ZINC001445650018 1091439675 /nfs/dbraw/zinc/43/96/75/1091439675.db2.gz AYMNIMYMVHAGRK-UHFFFAOYSA-N 0 0 344.415 2.485 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2n(n1)CCC[C@H]2O ZINC001442341208 1096664642 /nfs/dbraw/zinc/66/46/42/1096664642.db2.gz FARNCESPTNJYOB-GOSISDBHSA-N 0 0 342.443 2.439 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](c3cn(C)nn3)C2)cc1OC ZINC001458709260 1109944081 /nfs/dbraw/zinc/94/40/81/1109944081.db2.gz YISHLYVUOVDZEX-LLVKDONJSA-N 0 0 347.375 2.125 10 10 EECERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001464353527 1110392138 /nfs/dbraw/zinc/39/21/38/1110392138.db2.gz ZYLPZSZTNDQSFS-ZTFGCOKTSA-N 0 0 332.444 2.405 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1c(F)cccc1Cl ZINC001465867550 1110425182 /nfs/dbraw/zinc/42/51/82/1110425182.db2.gz TWNOTETVJAKUAE-CQSZACIVSA-N 0 0 339.750 2.283 10 10 EECERN COc1ccc(CNC(=O)c2cc(C=O)c(OC)cc2OC)c(O)c1 ZINC001467470180 1110457004 /nfs/dbraw/zinc/45/70/04/1110457004.db2.gz GMTLQXZFRXBNKI-UHFFFAOYSA-N 0 0 345.351 2.161 10 10 EECERN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(O)cc3O)cn2)n1 ZINC001469159775 1110486188 /nfs/dbraw/zinc/48/61/88/1110486188.db2.gz NKGSVYCDPUFWHG-UHFFFAOYSA-N 0 0 338.367 2.225 10 10 EECERN CC(C)C(=O)Nc1cc(C(=O)NCc2cccc(O)c2O)ccn1 ZINC001471642211 1110526838 /nfs/dbraw/zinc/52/68/38/1110526838.db2.gz ODOFDHDLEOPVEF-UHFFFAOYSA-N 0 0 329.356 2.017 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC001472063946 1110540891 /nfs/dbraw/zinc/54/08/91/1110540891.db2.gz UTGSGJYOTVKEMV-OAHLLOKOSA-N 0 0 340.379 2.019 10 10 EECERN CCc1nnc(N2CCOC[C@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001499238518 1112194918 /nfs/dbraw/zinc/19/49/18/1112194918.db2.gz QHTAEXCWWNXWIZ-CYBMUJFWSA-N 0 0 347.438 2.319 10 10 EECERN CC(C)C(=O)N(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001510461539 1117738878 /nfs/dbraw/zinc/73/88/78/1117738878.db2.gz XUVAZCOZBPHEKO-LLVKDONJSA-N 0 0 333.392 2.082 10 10 EECERN CC[C@@H](C)NC(=O)CCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001513165656 1118711464 /nfs/dbraw/zinc/71/14/64/1118711464.db2.gz BKLWIMFSQXXMSN-CYBMUJFWSA-N 0 0 345.447 2.233 10 10 EECERN CC/C(C)=C/C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001528101111 1120945572 /nfs/dbraw/zinc/94/55/72/1120945572.db2.gz BXCSHWGXBDNGBW-NJJRFRFFSA-N 0 0 345.403 2.394 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCn2ncnc21 ZINC001540488577 1124084240 /nfs/dbraw/zinc/08/42/40/1124084240.db2.gz VZKSDNPTAHGCDJ-KRWDZBQOSA-N 0 0 339.443 2.414 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116409921 529781502 /nfs/dbraw/zinc/78/15/02/529781502.db2.gz UOAGZTGCRXYVAU-HNNXBMFYSA-N 0 0 327.432 2.185 10 10 EECERN COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1O ZINC000033387925 202260024 /nfs/dbraw/zinc/26/00/24/202260024.db2.gz NZHWIEVRICEINQ-UKTHLTGXSA-N 0 0 344.367 2.195 10 10 EECERN CCC1(CC)CN(C(=O)c2ccc(C)c(O)c2O)CC[S@@]1=O ZINC000183880119 782041197 /nfs/dbraw/zinc/04/11/97/782041197.db2.gz JHJPFUJJXYNWNP-QFIPXVFZSA-N 0 0 325.430 2.170 10 10 EECERN O=C(C1=C2CCCN2c2ccccc2S1(=O)=O)N1CCCCC1 ZINC000065239703 303538016 /nfs/dbraw/zinc/53/80/16/303538016.db2.gz NOOOGWYYNHHWGJ-UHFFFAOYSA-N 0 0 332.425 2.298 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCNC(=O)C2)cc1)c1cccs1 ZINC000072291294 463501358 /nfs/dbraw/zinc/50/13/58/463501358.db2.gz QAMXKTFZEGSBNO-CYBMUJFWSA-N 0 0 343.452 2.104 10 10 EECERN CCOC(=O)CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000194492114 463872650 /nfs/dbraw/zinc/87/26/50/463872650.db2.gz UZNLDBZXCJSXKK-GFCCVEGCSA-N 0 0 328.359 2.410 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCCc2cn[nH]c2)cc1F ZINC000290734104 464131018 /nfs/dbraw/zinc/13/10/18/464131018.db2.gz NHALNNVXWYZEPE-UHFFFAOYSA-N 0 0 333.411 2.437 10 10 EECERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000264426219 464320879 /nfs/dbraw/zinc/32/08/79/464320879.db2.gz JQOUVKFYPWEOFT-JSGCOSHPSA-N 0 0 336.457 2.298 10 10 EECERN O=C1[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCN1CC(F)(F)F ZINC000293768745 464420447 /nfs/dbraw/zinc/42/04/47/464420447.db2.gz ZRQXWYLOYVSSJH-JTQLQIEISA-N 0 0 340.704 2.438 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)cc1 ZINC000190012994 464586074 /nfs/dbraw/zinc/58/60/74/464586074.db2.gz DVRLFBVYKCUZCD-CZUORRHYSA-N 0 0 326.462 2.130 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177322919 464986406 /nfs/dbraw/zinc/98/64/06/464986406.db2.gz PECMNWBGKCPQEF-INIZCTEOSA-N 0 0 342.447 2.459 10 10 EECERN Cc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(O)c1O ZINC000378376051 467285024 /nfs/dbraw/zinc/28/50/24/467285024.db2.gz INGODDVJNQXLRK-UHFFFAOYSA-N 0 0 346.427 2.271 10 10 EECERN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1N1CCOCC1 ZINC000191433064 533948464 /nfs/dbraw/zinc/94/84/64/533948464.db2.gz BQCFZLDFWFSVRZ-FZMZJTMJSA-N 0 0 328.815 2.337 10 10 EECERN CC(C)Cn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccccc1O ZINC000291563589 528696701 /nfs/dbraw/zinc/69/67/01/528696701.db2.gz NUWMFKAARKZJAN-INIZCTEOSA-N 0 0 346.431 2.364 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000738500497 578017422 /nfs/dbraw/zinc/01/74/22/578017422.db2.gz MVVWNZSGBIZNQX-MRXNPFEDSA-N 0 0 346.475 2.295 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCc2ccn(C)n2)cc1F ZINC000765694942 577505208 /nfs/dbraw/zinc/50/52/08/577505208.db2.gz XTRIESWQAPLKGE-UHFFFAOYSA-N 0 0 333.411 2.405 10 10 EECERN C[C@@H]1COCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000767928825 577547504 /nfs/dbraw/zinc/54/75/04/577547504.db2.gz DKFLUKCOJHDAKA-DNVCBOLYSA-N 0 0 346.471 2.184 10 10 EECERN CCOC(=O)CCN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000768531035 577557911 /nfs/dbraw/zinc/55/79/11/577557911.db2.gz UITLMDNSNYFOAI-SOFGYWHQSA-N 0 0 336.344 2.170 10 10 EECERN O=C([C@H](O)C1CCOCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000752087399 577765890 /nfs/dbraw/zinc/76/58/90/577765890.db2.gz QOHTVLLLRBIMSM-GOSISDBHSA-N 0 0 345.395 2.302 10 10 EECERN COC(=O)/C(=C\c1ccc(N2CCOCC2)cc1)c1ncccn1 ZINC000752891375 577777685 /nfs/dbraw/zinc/77/76/85/577777685.db2.gz UCWJJTWCLPMSGP-SSZFMOIBSA-N 0 0 325.368 2.027 10 10 EECERN Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000755231439 577822188 /nfs/dbraw/zinc/82/21/88/577822188.db2.gz PTYRGFIPMDRLDT-UHFFFAOYSA-N 0 0 343.387 2.016 10 10 EECERN C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756737302 577849575 /nfs/dbraw/zinc/84/95/75/577849575.db2.gz SLZIGOWNUPHOMY-BMIGLBTASA-N 0 0 340.370 2.101 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000756975213 577854257 /nfs/dbraw/zinc/85/42/57/577854257.db2.gz UVIIYFQCDBFNKN-IVZVJUQRSA-N 0 0 332.356 2.398 10 10 EECERN Cc1cc(CCNC(=O)C2(C(N)=O)CCC2)c(C)n1-c1ccccc1 ZINC000747906731 577952159 /nfs/dbraw/zinc/95/21/59/577952159.db2.gz UFUZAESJJRSYHC-UHFFFAOYSA-N 0 0 339.439 2.408 10 10 EECERN COc1cc(C(=O)NCc2cc(Br)ccc2O)on1 ZINC000804733454 675608925 /nfs/dbraw/zinc/60/89/25/675608925.db2.gz PYZWNDMPPMEKFY-UHFFFAOYSA-N 0 0 327.134 2.081 10 10 EECERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(O)c1O ZINC000177663255 681435828 /nfs/dbraw/zinc/43/58/28/681435828.db2.gz NSBXTAMJBUOKCY-LBPRGKRZSA-N 0 0 338.367 2.478 10 10 EECERN O=C(NCCOC1CCOCC1)NCc1ccc(N2CCCC2)cc1 ZINC000914180040 683338595 /nfs/dbraw/zinc/33/85/95/683338595.db2.gz CGEATJVWEXYJOL-UHFFFAOYSA-N 0 0 347.459 2.282 10 10 EECERN O=C(NCc1ccccc1O)c1nn2c(c1Br)CCC2 ZINC000896014952 684805742 /nfs/dbraw/zinc/80/57/42/684805742.db2.gz GDYFTAZGPLNPSC-UHFFFAOYSA-N 0 0 336.189 2.227 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000928710399 687126354 /nfs/dbraw/zinc/12/63/54/687126354.db2.gz CXDRRNJJKLQASH-UHFFFAOYSA-N 0 0 330.359 2.298 10 10 EECERN CCC(=O)N[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001746821410 1179553914 /nfs/dbraw/zinc/55/39/14/1179553914.db2.gz RVZQXCFNDOSLAH-CYBMUJFWSA-N 0 0 333.392 2.130 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC1(C(=O)NCC2CC2)CCCC1 ZINC000588405173 1187419118 /nfs/dbraw/zinc/41/91/18/1187419118.db2.gz NWSMGJWCHCSZFA-VURMDHGXSA-N 0 0 344.411 2.066 10 10 EECERN CON1CCC(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000864918981 1197997827 /nfs/dbraw/zinc/99/78/27/1197997827.db2.gz NXBUGUKSKQSXTD-UHFFFAOYSA-N 0 0 349.500 2.129 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCO[C@]3(CCSC3)C2)cc1 ZINC000825604330 1198185913 /nfs/dbraw/zinc/18/59/13/1198185913.db2.gz ZNMNPISKGKHQRS-QGZVFWFLSA-N 0 0 335.473 2.170 10 10 EECERN COC(=O)c1cccnc1COc1ccc(N(C)C)c(C(=O)OC)c1 ZINC000865395074 1198194661 /nfs/dbraw/zinc/19/46/61/1198194661.db2.gz IBFPCGRRXLXICS-UHFFFAOYSA-N 0 0 344.367 2.300 10 10 EECERN NC(=O)c1csc(NCc2cccc(Br)c2O)n1 ZINC000814367902 1199447546 /nfs/dbraw/zinc/44/75/46/1199447546.db2.gz DCIRTBLUWOSUAC-UHFFFAOYSA-N 0 0 328.191 2.322 10 10 EECERN Fc1cccc(-c2nnn(Cc3ccc(N4CCOCC4)cc3)n2)c1 ZINC000877875732 1200144095 /nfs/dbraw/zinc/14/40/95/1200144095.db2.gz ZMJMPNBOGMTCOM-UHFFFAOYSA-N 0 0 339.374 2.364 10 10 EECERN CNc1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000122730276 1200237067 /nfs/dbraw/zinc/23/70/67/1200237067.db2.gz OVKHVLNARDKXMK-UHFFFAOYSA-N 0 0 346.456 2.294 10 10 EECERN COc1ccc(N2CCCN(C(=O)Cc3cnc(C)o3)CC2)cc1 ZINC000878346727 1200411251 /nfs/dbraw/zinc/41/12/51/1200411251.db2.gz PAVDBYAREWJZTP-UHFFFAOYSA-N 0 0 329.400 2.273 10 10 EECERN CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000813047489 1201084865 /nfs/dbraw/zinc/08/48/65/1201084865.db2.gz PCMQFFLPFFCYMJ-QAPCUYQASA-N 0 0 347.459 2.405 10 10 EECERN O=C(Cn1cccc(C(F)(F)F)c1=O)N1Cc2cccc(O)c2C1 ZINC000871199165 1201095701 /nfs/dbraw/zinc/09/57/01/1201095701.db2.gz TXFQOWQEMAJYHI-UHFFFAOYSA-N 0 0 338.285 2.115 10 10 EECERN O=C(CC1(Cn2cnnn2)CCCCC1)N1Cc2cccc(O)c2C1 ZINC000871206175 1201099386 /nfs/dbraw/zinc/09/93/86/1201099386.db2.gz UZODFEOXRRNZEK-UHFFFAOYSA-N 0 0 341.415 2.262 10 10 EECERN CN1C(=O)C(=Cc2ccc(Br)c(F)c2)C(=O)N(C)C1=O ZINC000121689545 1201637853 /nfs/dbraw/zinc/63/78/53/1201637853.db2.gz XALFMVVNTIDCML-UHFFFAOYSA-N 0 0 341.136 2.022 10 10 EECERN COc1cc(OC)cc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 ZINC000867690966 1201659945 /nfs/dbraw/zinc/65/99/45/1201659945.db2.gz OYLJZTBBQSVULS-UHFFFAOYSA-N 0 0 335.381 2.114 10 10 EECERN C[C@H](NC(=O)NCCN1C(=O)Cc2ccccc21)c1ccccc1O ZINC000868192533 1201760912 /nfs/dbraw/zinc/76/09/12/1201760912.db2.gz VCGQDTNYJIVJKG-ZDUSSCGKSA-N 0 0 339.395 2.342 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1O ZINC000868436180 1201812114 /nfs/dbraw/zinc/81/21/14/1201812114.db2.gz KAIPYZSZQSIDKA-UONOGXRCSA-N 0 0 326.400 2.426 10 10 EECERN COc1ccc(CNC(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)c(O)c1 ZINC000869005029 1201922463 /nfs/dbraw/zinc/92/24/63/1201922463.db2.gz NKJCFUUGNSUKJY-PBHICJAKSA-N 0 0 334.416 2.405 10 10 EECERN CCN1C(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C(=O)C1(C)C ZINC000924980327 1206058023 /nfs/dbraw/zinc/05/80/23/1206058023.db2.gz VEUDQMPHEVHNOE-CQSZACIVSA-N 0 0 331.416 2.337 10 10 EECERN COCc1ccc([C@@H]2COCCN2C(=O)c2cccc(O)c2O)o1 ZINC000928519354 1206394815 /nfs/dbraw/zinc/39/48/15/1206394815.db2.gz UWZQABUWRGAWPX-ZDUSSCGKSA-N 0 0 333.340 2.051 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccnc(N2CCCCC2)n1 ZINC000928705921 1206413527 /nfs/dbraw/zinc/41/35/27/1206413527.db2.gz OXCPBNPJYNEYJZ-UHFFFAOYSA-N 0 0 330.363 2.242 10 10 EECERN COc1nnc(CN(C)c2cc(OC)c(OC)c(OC)c2)s1 ZINC000929708475 1206495562 /nfs/dbraw/zinc/49/55/62/1206495562.db2.gz UYOWWNKJKGALDT-UHFFFAOYSA-N 0 0 325.390 2.209 10 10 EECERN COC(=O)C[C@H]1CN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC000779668853 1210735255 /nfs/dbraw/zinc/73/52/55/1210735255.db2.gz ALFPEBUEFNDCNB-AFNCTOJWSA-N 0 0 338.363 2.494 10 10 EECERN COc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)c(O)c1 ZINC000796352411 1213870535 /nfs/dbraw/zinc/87/05/35/1213870535.db2.gz JDEKQOMVHMMKSB-UHFFFAOYSA-N 0 0 339.351 2.288 10 10 EECERN COCc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)ncn1 ZINC000093314020 1214857554 /nfs/dbraw/zinc/85/75/54/1214857554.db2.gz XXAQLTLTEYLLMC-UHFFFAOYSA-N 0 0 341.415 2.327 10 10 EECERN CN(c1ccc(CNC(=O)[C@@H](O)C(C)(C)O)cc1)C1CCCCC1 ZINC000900405133 1234321466 /nfs/dbraw/zinc/32/14/66/1234321466.db2.gz GDCYCOIHVSRJLH-QGZVFWFLSA-N 0 0 334.460 2.204 10 10 EECERN C/C(=C/C(=O)NCc1c(O)ccc2c1CCCC2)CN1CCOCC1 ZINC000901133836 1235264621 /nfs/dbraw/zinc/26/46/21/1235264621.db2.gz YQDNCAWCEYLMTL-QINSGFPZSA-N 0 0 344.455 2.166 10 10 EECERN C[C@@H](C(=O)N(C)Cc1ccccc1O)N1CSCCSC1 ZINC001137345370 1250256141 /nfs/dbraw/zinc/25/61/41/1250256141.db2.gz FRVWNMWDMPGAHW-LBPRGKRZSA-N 0 0 326.487 2.436 10 10 EECERN COc1ccc2ncc(C(=O)NCCCSc3nccs3)n2n1 ZINC000827475218 1248158627 /nfs/dbraw/zinc/15/86/27/1248158627.db2.gz VJAIEPLODFNPRN-UHFFFAOYSA-N 0 0 349.441 2.107 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000850351708 1277194229 /nfs/dbraw/zinc/19/42/29/1277194229.db2.gz GXORMLICLLQVGT-UHFFFAOYSA-N 0 0 340.379 2.062 10 10 EECERN C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850507345 1277254279 /nfs/dbraw/zinc/25/42/79/1277254279.db2.gz IVJACAHPYDAIKM-XHDPSFHLSA-N 0 0 349.349 2.230 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]2COC[C@H]2C1 ZINC000851986718 1291943235 /nfs/dbraw/zinc/94/32/35/1291943235.db2.gz FSBLLGUJLVVFCB-IAGOWNOFSA-N 0 0 329.444 2.465 10 10 EECERN CC(=O)N1CC(OC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000853129514 1292292332 /nfs/dbraw/zinc/29/23/32/1292292332.db2.gz PRHTZCKZAOIJSU-UHFFFAOYSA-N 0 0 326.396 2.411 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NC[C@H](OC)[C@H]1CCOC1 ZINC000854276304 1292700923 /nfs/dbraw/zinc/70/09/23/1292700923.db2.gz LVKYYSRJVZNJFW-RDJZCZTQSA-N 0 0 336.432 2.365 10 10 EECERN CC[C@]1(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000854299138 1292710320 /nfs/dbraw/zinc/71/03/20/1292710320.db2.gz MFHUSRVHIFSCDP-KDOFPFPSSA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@@H]3CCO)C2)cc1 ZINC000854298345 1292710582 /nfs/dbraw/zinc/71/05/82/1292710582.db2.gz AXGSMANVEZQCFP-DOTOQJQBSA-N 0 0 347.459 2.220 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCCC[C@@H]3O)C2)cc1 ZINC000855223623 1293116358 /nfs/dbraw/zinc/11/63/58/1293116358.db2.gz HAQMLGDBQLWABH-VKJFTORMSA-N 0 0 332.444 2.331 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccnc(F)c3F)C2)cc1 ZINC000855225547 1293117495 /nfs/dbraw/zinc/11/74/95/1293117495.db2.gz KRMSYMFAXSEOLO-LLVKDONJSA-N 0 0 333.338 2.377 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccnc(F)c3F)C2)cc1 ZINC000855225548 1293117674 /nfs/dbraw/zinc/11/76/74/1293117674.db2.gz KRMSYMFAXSEOLO-NSHDSACASA-N 0 0 333.338 2.377 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H](O)C3CCCCC3)C2)cc1 ZINC000855224673 1293117800 /nfs/dbraw/zinc/11/78/00/1293117800.db2.gz GWMZJLYDOGSESH-YJBOKZPZSA-N 0 0 332.444 2.331 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccccc3O)C2)cc1 ZINC000855226036 1293118616 /nfs/dbraw/zinc/11/86/16/1293118616.db2.gz MZJYYUSEVSOXBX-OAHLLOKOSA-N 0 0 326.396 2.338 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCc4n[nH]cc43)C2)cc1 ZINC000855234021 1293123170 /nfs/dbraw/zinc/12/31/70/1293123170.db2.gz QTKXEFUXXKNWDY-CJNGLKHVSA-N 0 0 340.427 2.233 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(c2ccnn2C)c2ccnn2C)c1 ZINC000858584642 1294160205 /nfs/dbraw/zinc/16/02/05/1294160205.db2.gz VKEHDQVCNNTMOM-GFCCVEGCSA-N 0 0 341.415 2.308 10 10 EECERN COc1nc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)co1 ZINC000858785439 1294223372 /nfs/dbraw/zinc/22/33/72/1294223372.db2.gz GZBYAHMXKNOGJP-GFCCVEGCSA-N 0 0 331.372 2.011 10 10 EECERN COc1ccc(NC(=S)NNc2nnc(C)n2C)cc1Cl ZINC000863206218 1296149637 /nfs/dbraw/zinc/14/96/37/1296149637.db2.gz RAYKPMAYGGJQLS-UHFFFAOYSA-N 0 0 326.813 2.099 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001118754915 1308938786 /nfs/dbraw/zinc/93/87/86/1308938786.db2.gz OCLWVCDQOBPWSU-KBXIAJHMSA-N 0 0 347.411 2.124 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)CC2)cc1 ZINC001137658436 1314468285 /nfs/dbraw/zinc/46/82/85/1314468285.db2.gz HXXBXOJLHMYVFS-KZNAEPCWSA-N 0 0 330.428 2.159 10 10 EECERN CNC(=O)[C@@H](NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000841580374 1315582409 /nfs/dbraw/zinc/58/24/09/1315582409.db2.gz HBBUNCFFIJIYMF-YOEHRIQHSA-N 0 0 348.491 2.062 10 10 EECERN C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841985006 1315647039 /nfs/dbraw/zinc/64/70/39/1315647039.db2.gz GTOJLNVTCRKDFW-PELKAZGASA-N 0 0 332.231 2.496 10 10 EECERN CC1(C)COC[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842258704 1315680419 /nfs/dbraw/zinc/68/04/19/1315680419.db2.gz QYJBDNGGLVBLOB-CYBMUJFWSA-N 0 0 338.791 2.235 10 10 EECERN COc1ncncc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843391557 1315905923 /nfs/dbraw/zinc/90/59/23/1315905923.db2.gz YKCGZBZBMFQEID-MRXNPFEDSA-N 0 0 329.400 2.372 10 10 EECERN COC(=O)[C@@H](CC(C)(C)C)NCc1cc(OC)c(OC)cc1O ZINC000843422944 1315912093 /nfs/dbraw/zinc/91/20/93/1315912093.db2.gz JUSHPMKHTINYFW-GFCCVEGCSA-N 0 0 325.405 2.477 10 10 EECERN COC(=O)[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccnn1C ZINC000843430043 1315913856 /nfs/dbraw/zinc/91/38/56/1315913856.db2.gz MWHIBILABHWARU-OSJSJHBBSA-N 0 0 328.416 2.003 10 10 EECERN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@@H]1SC ZINC000843429581 1315914083 /nfs/dbraw/zinc/91/40/83/1315914083.db2.gz HBXLQZKVRCXLJZ-HCKVZZMMSA-N 0 0 342.417 2.308 10 10 EECERN Cc1cc(Cn2nnc(C(=O)N[C@H](C)c3ccccc3O)c2C)on1 ZINC001151886015 1316602982 /nfs/dbraw/zinc/60/29/82/1316602982.db2.gz RAEXVTPDMWIWRV-LLVKDONJSA-N 0 0 341.371 2.128 10 10 EECERN O=C(Cn1nc(-c2ccccc2)ccc1=O)N1Cc2cccc(O)c2C1 ZINC001152563664 1316690001 /nfs/dbraw/zinc/69/00/01/1316690001.db2.gz AQZQSRXCFUWNSM-UHFFFAOYSA-N 0 0 347.374 2.158 10 10 EECERN Cc1nc2ccccn2c1CNC(=O)NCc1c(O)cccc1F ZINC001251513993 1317466045 /nfs/dbraw/zinc/46/60/45/1317466045.db2.gz XSFBIKQIXCPSSW-UHFFFAOYSA-N 0 0 328.347 2.487 10 10 EECERN CN(CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)C1(C)CC1 ZINC001294147998 1328906008 /nfs/dbraw/zinc/90/60/08/1328906008.db2.gz ACDAGJLVUNYLAI-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN CCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(O)cc3O)ccc21 ZINC001162278988 1320804172 /nfs/dbraw/zinc/80/41/72/1320804172.db2.gz PVPZABPVNCTWOL-UHFFFAOYSA-N 0 0 327.340 2.103 10 10 EECERN COC(=O)c1ccc2c(c1)CCN2C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001162574862 1320901977 /nfs/dbraw/zinc/90/19/77/1320901977.db2.gz OLBHRUITGODYOU-CLTKARDFSA-N 0 0 339.347 2.487 10 10 EECERN COCCOc1cc(C)ccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001294587663 1329083371 /nfs/dbraw/zinc/08/33/71/1329083371.db2.gz HXSBUPQNXHHSFB-UHFFFAOYSA-N 0 0 345.395 2.290 10 10 EECERN Cc1nnc(Nc2cnn(C)c2)n1Cc1ccc(N(C)C)cc1C ZINC001289419176 1328024314 /nfs/dbraw/zinc/02/43/14/1328024314.db2.gz FQBYNWZSSLNLPR-UHFFFAOYSA-N 0 0 325.420 2.486 10 10 EECERN CC/C(C)=C/C(=O)NCC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001295848557 1329848816 /nfs/dbraw/zinc/84/88/16/1329848816.db2.gz FUTZXYGFJMHNRD-CNELAYHGSA-N 0 0 349.431 2.080 10 10 EECERN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCc1cccc(Cl)c1O ZINC001305069732 1331408827 /nfs/dbraw/zinc/40/88/27/1331408827.db2.gz MOKIRDDGSPREKQ-AWEZNQCLSA-N 0 0 346.770 2.452 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCOC1(C)C ZINC001328298323 1334440208 /nfs/dbraw/zinc/44/02/08/1334440208.db2.gz PLIZMHQMXIROQH-OAHLLOKOSA-N 0 0 348.443 2.062 10 10 EECERN COC(=O)c1c(CN(C)Cc2nccn2C)c2cc(F)ccc2n1C ZINC001331567641 1335038636 /nfs/dbraw/zinc/03/86/36/1335038636.db2.gz VFMYIEKFNNVADQ-UHFFFAOYSA-N 0 0 344.390 2.470 10 10 EECERN O=C(C(=O)N1CC[C@H](c2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC001335547106 1336393106 /nfs/dbraw/zinc/39/31/06/1336393106.db2.gz GGXSQZOSIRTQBZ-HNNXBMFYSA-N 0 0 336.391 2.251 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3CC[C@]34CCOC4)CC2)cc1 ZINC001345274593 1337434175 /nfs/dbraw/zinc/43/41/75/1337434175.db2.gz GCOSDHALKJBAAG-LJQANCHMSA-N 0 0 345.443 2.238 10 10 EECERN O=C(C(=O)N1CC[C@@H]2CCCC[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC001351811619 1337852313 /nfs/dbraw/zinc/85/23/13/1337852313.db2.gz YKUYAEQWEIDROP-UONOGXRCSA-N 0 0 328.412 2.273 10 10 EECERN C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000847394310 1338023233 /nfs/dbraw/zinc/02/32/33/1338023233.db2.gz XLNOCZXLQGWQPC-HOTGVXAUSA-N 0 0 331.460 2.042 10 10 EECERN O=C(NCc1cccc2c1OCCO2)NCc1c(O)cccc1F ZINC001676652955 1357174969 /nfs/dbraw/zinc/17/49/69/1357174969.db2.gz CZWYUZMMGMSRDC-UHFFFAOYSA-N 0 0 332.331 2.302 10 10 EECERN Cc1nn(CC2CC2)c(C)c1CC(=O)NCc1c(O)cccc1O ZINC001597574822 1349928117 /nfs/dbraw/zinc/92/81/17/1349928117.db2.gz UDSITZBLBWIYJK-UHFFFAOYSA-N 0 0 329.400 2.180 10 10 EECERN O=C(Cc1nc(C(F)(F)F)cs1)NCCc1ccc(O)c(O)c1 ZINC001622753108 1352388625 /nfs/dbraw/zinc/38/86/25/1352388625.db2.gz HLJGSNJBICXGAN-UHFFFAOYSA-N 0 0 346.330 2.475 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2ccnc3[nH]c(=O)[nH]c32)cc1 ZINC001624479517 1352422550 /nfs/dbraw/zinc/42/25/50/1352422550.db2.gz HQDUJCAFORHHKE-UHFFFAOYSA-N 0 0 325.372 2.002 10 10 EECERN CC(C)(C)c1noc(CCCC(=O)NCc2ccc(O)cc2O)n1 ZINC001626838384 1352475076 /nfs/dbraw/zinc/47/50/76/1352475076.db2.gz ZTYMRLCXEJDGDT-UHFFFAOYSA-N 0 0 333.388 2.417 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1cccnc1 ZINC001630480590 1352569089 /nfs/dbraw/zinc/56/90/89/1352569089.db2.gz DDHCYUZZEYLEFM-MDZDMXLPSA-N 0 0 340.379 2.392 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)[C@H]1COc2ccccc2O1 ZINC001630526975 1352570244 /nfs/dbraw/zinc/57/02/44/1352570244.db2.gz IRADBPFMJKCEQD-MRXNPFEDSA-N 0 0 336.347 2.397 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCc2n[nH]c(=O)cc2C1 ZINC001634526902 1352630532 /nfs/dbraw/zinc/63/05/32/1352630532.db2.gz UDURWTOCJLDDKK-UHFFFAOYSA-N 0 0 343.364 2.007 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)Nc1ccccc1 ZINC001636058602 1352657489 /nfs/dbraw/zinc/65/74/89/1352657489.db2.gz JGJGYAPCHRWXKW-UHFFFAOYSA-N 0 0 348.399 2.316 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC001636063693 1352658280 /nfs/dbraw/zinc/65/82/80/1352658280.db2.gz XOZHAPDAWQVVDP-UHFFFAOYSA-N 0 0 334.372 2.181 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnc(-c2ccco2)o1 ZINC001638348218 1352687706 /nfs/dbraw/zinc/68/77/06/1352687706.db2.gz OUWDTKQZOWOREK-SECBINFHSA-N 0 0 329.312 2.102 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1cnc2sccn2c1=O ZINC001647826977 1353404192 /nfs/dbraw/zinc/40/41/92/1353404192.db2.gz RAWFFWQPXMOTOU-UHFFFAOYSA-N 0 0 335.772 2.045 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cn(-c2cccc(Cl)c2)nn1 ZINC001651225486 1354044900 /nfs/dbraw/zinc/04/49/00/1354044900.db2.gz LQHUDXKUAYCTRB-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN Cn1cc(-c2ncccc2C(=O)NCc2c(O)cccc2F)cn1 ZINC001652298269 1354085875 /nfs/dbraw/zinc/08/58/75/1354085875.db2.gz ICEGOZFYEPAPNC-UHFFFAOYSA-N 0 0 326.331 2.257 10 10 EECERN Cc1cccnc1[C@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC001655076696 1354164152 /nfs/dbraw/zinc/16/41/52/1354164152.db2.gz MACDPBHUAZBYRS-HNNXBMFYSA-N 0 0 326.444 2.423 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)C(=O)N[C@H](C)C(C)(C)C)cc1 ZINC000846747109 790532442 /nfs/dbraw/zinc/53/24/42/790532442.db2.gz LMMZSSYMMXUDOS-CQSZACIVSA-N 0 0 349.475 2.141 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(Cl)nc2)c1 ZINC001128583168 783405960 /nfs/dbraw/zinc/40/59/60/783405960.db2.gz MIMZUXSRANXEPD-ZZXKWVIFSA-N 0 0 330.775 2.166 10 10 EECERN COC(=O)c1nc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000907060167 784359374 /nfs/dbraw/zinc/35/93/74/784359374.db2.gz LSDJZHWFHXSGMO-QMMMGPOBSA-N 0 0 336.369 2.135 10 10 EECERN Cn1ncc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])n1 ZINC000708178334 786763739 /nfs/dbraw/zinc/76/37/39/786763739.db2.gz PBPKMZQDQIXZBE-UHFFFAOYSA-N 0 0 331.601 2.226 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(CC2CC2)nn1 ZINC000823899703 787973220 /nfs/dbraw/zinc/97/32/20/787973220.db2.gz PUXZVAHNMKGGJS-UHFFFAOYSA-N 0 0 327.432 2.416 10 10 EECERN COC[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000825467197 788644237 /nfs/dbraw/zinc/64/42/37/788644237.db2.gz NOTGJEUEFSYNQJ-LJQANCHMSA-N 0 0 332.444 2.346 10 10 EECERN CCS(=O)(=O)c1ccccc1CC(=O)N1Cc2cccc(O)c2C1 ZINC000913726237 794183431 /nfs/dbraw/zinc/18/34/31/794183431.db2.gz KQDIWDLNQBDHCX-UHFFFAOYSA-N 0 0 345.420 2.271 10 10 EECERN C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715716220 795483694 /nfs/dbraw/zinc/48/36/94/795483694.db2.gz DJUYZBKODMHJSV-CPCISQLKSA-N 0 0 331.185 2.051 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cnc2c(F)cc(F)cc2c1O ZINC001176576073 798503479 /nfs/dbraw/zinc/50/34/79/798503479.db2.gz DZYZJKTXCPIVQW-UHFFFAOYSA-N 0 0 346.289 2.148 10 10 EECERN Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cnn1 ZINC000786166292 806713849 /nfs/dbraw/zinc/71/38/49/806713849.db2.gz FWPFXGRVILRERP-CQSZACIVSA-N 0 0 326.400 2.113 10 10 EECERN C[C@H](Sc1ccccc1C(=O)NCc1c(O)cccc1F)C(N)=O ZINC001178413833 799467674 /nfs/dbraw/zinc/46/76/74/799467674.db2.gz ZELVAPAHSBEUNB-JTQLQIEISA-N 0 0 348.399 2.427 10 10 EECERN O=C(CCN1C(=O)CCc2ccccc21)NCc1c(O)cccc1O ZINC001178912467 799697378 /nfs/dbraw/zinc/69/73/78/799697378.db2.gz UMKZUAIPZVHOJV-UHFFFAOYSA-N 0 0 340.379 2.084 10 10 EECERN COc1cccc(CNC(=O)C(=O)Nc2nc(C(C)C)cs2)c1O ZINC000789515862 808036948 /nfs/dbraw/zinc/03/69/48/808036948.db2.gz GFCUXQSVKNJZPI-UHFFFAOYSA-N 0 0 349.412 2.236 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000789767221 808171372 /nfs/dbraw/zinc/17/13/72/808171372.db2.gz FVYXGKXWFFOPCJ-HNNXBMFYSA-N 0 0 339.233 2.175 10 10 EECERN CC(=O)C(=O)COC(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000808502426 812675111 /nfs/dbraw/zinc/67/51/11/812675111.db2.gz IFXBVAFLULSMJX-UHFFFAOYSA-N 0 0 335.356 2.496 10 10 EECERN CC(=O)C(=O)COC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000808536892 812709348 /nfs/dbraw/zinc/70/93/48/812709348.db2.gz YHNVDAVYXYLWRM-UHFFFAOYSA-N 0 0 331.733 2.042 10 10 EECERN CN(Cc1ccccc1O)C(=O)Cn1cnc(-c2ccccc2)cc1=O ZINC001566304574 1125594531 /nfs/dbraw/zinc/59/45/31/1125594531.db2.gz LVMHEIAWGYPISJ-UHFFFAOYSA-N 0 0 349.390 2.275 10 10 EECERN Cn1ccnc1-c1csc(NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001566401750 1125600025 /nfs/dbraw/zinc/60/00/25/1125600025.db2.gz PJMOVCJJTXURCH-UHFFFAOYSA-N 0 0 330.369 2.136 10 10 EECERN CNC(=O)c1cncc(C=CC(=O)N(C)c2ccc(C(C)=O)cc2)c1 ZINC001438858140 1091493497 /nfs/dbraw/zinc/49/34/97/1091493497.db2.gz YZWYFRWRCOJKJL-WTKPLQERSA-N 0 0 337.379 2.320 10 10 EECERN CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)nc1 ZINC001440662406 1093930297 /nfs/dbraw/zinc/93/02/97/1093930297.db2.gz DDEQOSIJCMNBLY-UHFFFAOYSA-N 0 0 326.400 2.378 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccc(OCC(F)(F)F)cn1 ZINC001455315920 1108423547 /nfs/dbraw/zinc/42/35/47/1108423547.db2.gz LUHKQOBQOJFZCJ-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1cccc(O)c1O ZINC001455320173 1108429160 /nfs/dbraw/zinc/42/91/60/1108429160.db2.gz VIQMUPIQPKHMEN-UHFFFAOYSA-N 0 0 349.408 2.210 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](Cn3ccnn3)C2)cc1OC ZINC001458269378 1109851615 /nfs/dbraw/zinc/85/16/15/1109851615.db2.gz PGMAHQSQLDLBJB-GFCCVEGCSA-N 0 0 347.375 2.120 10 10 EECERN COc1ccc(N2CCC(NC(=O)CCc3cc(C)n[nH]3)CC2)cc1 ZINC001464705385 1110400996 /nfs/dbraw/zinc/40/09/96/1110400996.db2.gz QWJCFDUYHWGMJF-UHFFFAOYSA-N 0 0 342.443 2.445 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC001466798914 1110443941 /nfs/dbraw/zinc/44/39/41/1110443941.db2.gz MPVLIMRBYLQARM-KBPBESRZSA-N 0 0 344.371 2.059 10 10 EECERN CCC[C@H](O)[C@@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001468859344 1110481061 /nfs/dbraw/zinc/48/10/61/1110481061.db2.gz GULLNTZKYJIHPL-HIFRSBDPSA-N 0 0 336.457 2.407 10 10 EECERN COc1ccc([S@](C)(=O)=NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001471989512 1110537729 /nfs/dbraw/zinc/53/77/29/1110537729.db2.gz PDANDOXCMWMADV-QHCPKHFHSA-N 0 0 335.381 2.332 10 10 EECERN COC(=O)c1cnc(Sc2nc(Cl)nc3[nH]cnc32)s1 ZINC001472791755 1110563462 /nfs/dbraw/zinc/56/34/62/1110563462.db2.gz XMDGCFHNTYSDHB-UHFFFAOYSA-N 0 0 327.778 2.401 10 10 EECERN CC[C@@H](NC(C)=O)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001524849734 1120233224 /nfs/dbraw/zinc/23/32/24/1120233224.db2.gz QEKODPZIKGUHLK-CYBMUJFWSA-N 0 0 337.383 2.250 10 10 EECERN COc1c(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)cnn1C ZINC001534043481 1123289235 /nfs/dbraw/zinc/28/92/35/1123289235.db2.gz MWLFACFSYPGFTF-UHFFFAOYSA-N 0 0 348.366 2.391 10 10 EECERN C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000069848856 203057512 /nfs/dbraw/zinc/05/75/12/203057512.db2.gz MXCSXCDUIARADW-YJBOKZPZSA-N 0 0 343.471 2.455 10 10 EECERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000191992153 533376468 /nfs/dbraw/zinc/37/64/68/533376468.db2.gz FQUMSXIOOGGUEY-LBPRGKRZSA-N 0 0 342.399 2.157 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000369558662 279866749 /nfs/dbraw/zinc/86/67/49/279866749.db2.gz JOOSGHNCDBPTSM-ALOPSCKCSA-N 0 0 342.439 2.145 10 10 EECERN Cc1cc(NCCNC(=O)c2ccc(C)c(O)c2O)nc(C(C)C)n1 ZINC000529844036 448981846 /nfs/dbraw/zinc/98/18/46/448981846.db2.gz AGYAWUYGBSKYRH-UHFFFAOYSA-N 0 0 344.415 2.470 10 10 EECERN CC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](O)C(F)F ZINC000297126638 465246221 /nfs/dbraw/zinc/24/62/21/465246221.db2.gz GTUQVFYGEJQEQC-LSDHHAIUSA-N 0 0 339.386 2.267 10 10 EECERN CCOc1cccc(CN2CCO[C@H](c3n[nH]c(CC)n3)C2)c1O ZINC000129218566 462696384 /nfs/dbraw/zinc/69/63/84/462696384.db2.gz BTYXZPZSGJQZRI-AWEZNQCLSA-N 0 0 332.404 2.045 10 10 EECERN Nc1ccc(CC(=O)N2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000163839507 463608211 /nfs/dbraw/zinc/60/82/11/463608211.db2.gz CSSUXBGLFKHMIH-UHFFFAOYSA-N 0 0 335.411 2.260 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CC[C@@H](N3CCOCC3)C2)c1O ZINC000170812319 463711085 /nfs/dbraw/zinc/71/10/85/463711085.db2.gz HQKQKKJODDQYIK-OAHLLOKOSA-N 0 0 338.835 2.155 10 10 EECERN CO[C@H](C)[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000277580385 463921761 /nfs/dbraw/zinc/92/17/61/463921761.db2.gz SIAJCMBNEATSMY-DTWKUNHWSA-N 0 0 331.210 2.377 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000292422289 464227940 /nfs/dbraw/zinc/22/79/40/464227940.db2.gz UEDJVDSOLSUJDA-YVZNUBBCSA-N 0 0 342.355 2.429 10 10 EECERN COc1ccc(O)c(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c1 ZINC000180130675 464248923 /nfs/dbraw/zinc/24/89/23/464248923.db2.gz IKMKQWCTOTXEFY-KRWDZBQOSA-N 0 0 331.416 2.115 10 10 EECERN COc1ccc(O)c(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180747582 464384423 /nfs/dbraw/zinc/38/44/23/464384423.db2.gz PJPJMWCFXGUBKM-PBHICJAKSA-N 0 0 333.384 2.318 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)cc1F ZINC000189188623 464453158 /nfs/dbraw/zinc/45/31/58/464453158.db2.gz VWKLUCMYIYTGRE-HIFRSBDPSA-N 0 0 336.407 2.298 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)cc1F ZINC000189188647 464453228 /nfs/dbraw/zinc/45/32/28/464453228.db2.gz VWKLUCMYIYTGRE-ZFWWWQNUSA-N 0 0 336.407 2.298 10 10 EECERN Cn1ccnc1CC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181235183 464460986 /nfs/dbraw/zinc/46/09/86/464460986.db2.gz HRSLHZBGCUCCNG-HWKANZROSA-N 0 0 341.411 2.326 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@@H](OC)C3)CC2)cc1 ZINC000249067691 464836010 /nfs/dbraw/zinc/83/60/10/464836010.db2.gz QLPGVOFBNGGXDO-CRAIPNDOSA-N 0 0 347.459 2.484 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112662020 533720943 /nfs/dbraw/zinc/72/09/43/533720943.db2.gz QONRSEKQQVCCKE-CYBMUJFWSA-N 0 0 341.440 2.492 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@H](CO)C3)ccc21 ZINC000298865645 523861384 /nfs/dbraw/zinc/86/13/84/523861384.db2.gz JWGVQHXUSOHHAX-RDJZCZTQSA-N 0 0 331.460 2.419 10 10 EECERN O=S1(=O)CCC(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000776252654 577455807 /nfs/dbraw/zinc/45/58/07/577455807.db2.gz VQJPMLRSPKBOMQ-UHFFFAOYSA-N 0 0 335.828 2.489 10 10 EECERN CCOC(=O)[C@H](CNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC000776341950 577457930 /nfs/dbraw/zinc/45/79/30/577457930.db2.gz UBORJBVLKYNDNL-AWEZNQCLSA-N 0 0 343.379 2.250 10 10 EECERN CCOC(=O)CN(Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000768530236 577557824 /nfs/dbraw/zinc/55/78/24/577557824.db2.gz FVFHYPUQWJZIIG-UHFFFAOYSA-N 0 0 332.444 2.441 10 10 EECERN Cc1cc(C)c2c(N)c(C(=O)OC[C@@H](O)COC(C)C)sc2n1 ZINC000769102595 577569729 /nfs/dbraw/zinc/56/97/29/577569729.db2.gz PMPHHVNYHPLPGR-NSHDSACASA-N 0 0 338.429 2.438 10 10 EECERN Cn1cc(-c2cc(COC(=O)/C=C/c3ccc(O)c(O)c3)on2)cn1 ZINC000769114661 577570039 /nfs/dbraw/zinc/57/00/39/577570039.db2.gz ILHJQCACVLXKAL-HWKANZROSA-N 0 0 341.323 2.243 10 10 EECERN [O-]c1c(Br)cccc1C[NH2+]C1(CCO)CCOCC1 ZINC000761993523 577693009 /nfs/dbraw/zinc/69/30/09/577693009.db2.gz UEBKLXVTXWPPTC-UHFFFAOYSA-N 0 0 330.222 2.176 10 10 EECERN Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(=O)[nH]c1C ZINC000763626244 577723591 /nfs/dbraw/zinc/72/35/91/577723591.db2.gz JQCAQHXEKOMPRT-UHFFFAOYSA-N 0 0 340.427 2.258 10 10 EECERN CC1(C)C[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000751663805 577757091 /nfs/dbraw/zinc/75/70/91/577757091.db2.gz GSOBMUXBWWUVFF-ZBFHGGJFSA-N 0 0 329.444 2.051 10 10 EECERN O=C(NCc1cc(Br)ccc1O)[C@H]1C[C@]12CCOC2 ZINC000804735576 675609778 /nfs/dbraw/zinc/60/97/78/675609778.db2.gz FKLDJBLCTARJTQ-RISCZKNCSA-N 0 0 326.190 2.198 10 10 EECERN CCc1nn(C)cc1C(=O)NCc1cc(Br)ccc1O ZINC000804737808 675611021 /nfs/dbraw/zinc/61/10/21/675611021.db2.gz YIQPQKYGSSPEQL-UHFFFAOYSA-N 0 0 338.205 2.381 10 10 EECERN Cc1nc2cc(NC(=O)C(=O)N(C)Cc3ccccc3O)ccc2o1 ZINC000091205783 678355216 /nfs/dbraw/zinc/35/52/16/678355216.db2.gz MMDHUOYHPUNZOM-UHFFFAOYSA-N 0 0 339.351 2.439 10 10 EECERN CCOC(=O)[C@@H](C)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894539614 682961159 /nfs/dbraw/zinc/96/11/59/682961159.db2.gz VPKHBTWLMUJNIR-SNVBAGLBSA-N 0 0 336.363 2.145 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2C3CCC2(C(N)=O)CC3)cc1 ZINC000914254356 683431540 /nfs/dbraw/zinc/43/15/40/683431540.db2.gz HCGQLYKATFGPPP-UHFFFAOYSA-N 0 0 344.459 2.225 10 10 EECERN COc1ccc(O)c(C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c1 ZINC000186474728 684537326 /nfs/dbraw/zinc/53/73/26/684537326.db2.gz RWYHDTPJYVWZNU-UHFFFAOYSA-N 0 0 340.383 2.388 10 10 EECERN CNC(=O)C1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC000895885455 684760743 /nfs/dbraw/zinc/76/07/43/684760743.db2.gz XKORDYSIYMQJPG-UHFFFAOYSA-N 0 0 333.215 2.084 10 10 EECERN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896463633 684994708 /nfs/dbraw/zinc/99/47/08/684994708.db2.gz DXVKSELEWITTQW-PIWWNVKXSA-N 0 0 339.438 2.294 10 10 EECERN COC(=O)[C@@]1(F)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896788624 685246162 /nfs/dbraw/zinc/24/61/62/685246162.db2.gz GMBBKKHAVGZKJU-OAHLLOKOSA-N 0 0 339.344 2.040 10 10 EECERN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@H](C)c3ccccc3O)[C@@H]2C1 ZINC000897744381 691777530 /nfs/dbraw/zinc/77/75/30/691777530.db2.gz ZRCMFGRYYNWHAR-FWZIUSJTSA-N 0 0 332.400 2.340 10 10 EECERN CO[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCOC1 ZINC000898580450 693382771 /nfs/dbraw/zinc/38/27/71/693382771.db2.gz KOTMWMVPBMDIFL-NOZJJQNGSA-N 0 0 337.397 2.094 10 10 EECERN Cc1cc(C(=O)N2CCCn3nncc3C2)c(C)n1-c1ccccn1 ZINC000899337003 693706218 /nfs/dbraw/zinc/70/62/18/693706218.db2.gz XZWBSUCXNZBKTB-UHFFFAOYSA-N 0 0 336.399 2.127 10 10 EECERN COC(=O)[C@H](CNC(=O)c1c(F)ccc(O)c1O)C1CCCCC1 ZINC000863939911 1197930579 /nfs/dbraw/zinc/93/05/79/1197930579.db2.gz RAOGJXLUTVMWNH-LLVKDONJSA-N 0 0 339.363 2.336 10 10 EECERN CCO[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCOC1 ZINC000865054068 1198065311 /nfs/dbraw/zinc/06/53/11/1198065311.db2.gz OXANYWZKXORPIC-AEFFLSMTSA-N 0 0 332.444 2.127 10 10 EECERN CN1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O ZINC000825904480 1199779727 /nfs/dbraw/zinc/77/97/27/1199779727.db2.gz BWSMGRWWDBACSW-INIZCTEOSA-N 0 0 342.395 2.382 10 10 EECERN COc1ccc(CNC(=O)c2cccc3c2CC(=O)CC3)c(O)c1 ZINC000811485066 1200079090 /nfs/dbraw/zinc/07/90/90/1200079090.db2.gz VQOBNMDYQCNHIO-UHFFFAOYSA-N 0 0 325.364 2.389 10 10 EECERN C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(Br)cc1O ZINC000826096993 1200883710 /nfs/dbraw/zinc/88/37/10/1200883710.db2.gz LCQDOYNXNRBRMV-GXFFZTMASA-N 0 0 330.222 2.126 10 10 EECERN COC1(CS(=O)(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000867463106 1201617605 /nfs/dbraw/zinc/61/76/05/1201617605.db2.gz FWMDARWUSFTCEW-UHFFFAOYSA-N 0 0 333.837 2.424 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(OCCCO)CC1 ZINC000121633310 1201618094 /nfs/dbraw/zinc/61/80/94/1201618094.db2.gz VBFJFRITRAYERR-UHFFFAOYSA-N 0 0 349.475 2.134 10 10 EECERN CN1CCCc2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc21 ZINC000867690764 1201660083 /nfs/dbraw/zinc/66/00/83/1201660083.db2.gz MEOHJKUIECQSMS-UHFFFAOYSA-N 0 0 344.436 2.479 10 10 EECERN COC(=O)CCCCCS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836343 1201690714 /nfs/dbraw/zinc/69/07/14/1201690714.db2.gz PBFCBOLHLCYSDM-LBPRGKRZSA-N 0 0 329.418 2.106 10 10 EECERN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N2CCn3nccc32)C1 ZINC000868151310 1201753397 /nfs/dbraw/zinc/75/33/97/1201753397.db2.gz PLAGHZFWYVVEPI-PSKZRQQASA-N 0 0 346.431 2.433 10 10 EECERN CN(C)c1ccc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 ZINC000133537432 1202207001 /nfs/dbraw/zinc/20/70/01/1202207001.db2.gz PQXAEIXGECBAHB-IBGZPJMESA-N 0 0 345.487 2.356 10 10 EECERN Cc1cc(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1C ZINC000926366334 1206216189 /nfs/dbraw/zinc/21/61/89/1206216189.db2.gz CGTURYSYELPOMK-UHFFFAOYSA-N 0 0 329.448 2.179 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(C=O)n(C)n1 ZINC000929539071 1206484675 /nfs/dbraw/zinc/48/46/75/1206484675.db2.gz AIMUEMDIGQNZEB-UHFFFAOYSA-N 0 0 340.427 2.495 10 10 EECERN C[C@](NCc1ccc(N2CCOCC2)cc1)(C(N)=O)c1ccccc1 ZINC000929924364 1206518194 /nfs/dbraw/zinc/51/81/94/1206518194.db2.gz GGWPLTSVYNXPCH-HXUWFJFHSA-N 0 0 339.439 2.014 10 10 EECERN O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc(O)c(O)c1 ZINC000778925259 1208404761 /nfs/dbraw/zinc/40/47/61/1208404761.db2.gz JHDRSEAYNSDLPF-UHFFFAOYSA-N 0 0 329.352 2.118 10 10 EECERN COC(=O)C(C)(C)N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000779191635 1209271445 /nfs/dbraw/zinc/27/14/45/1209271445.db2.gz SEAFNMMATPLFDT-UHFFFAOYSA-N 0 0 326.824 2.115 10 10 EECERN CN(C)c1ccnc(NC(=O)NCCCSc2nccs2)n1 ZINC000779348232 1210024481 /nfs/dbraw/zinc/02/44/81/1210024481.db2.gz PUNRKCXNZLKSSC-UHFFFAOYSA-N 0 0 338.462 2.303 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000795586418 1214388562 /nfs/dbraw/zinc/38/85/62/1214388562.db2.gz YYADMUURZUQNJP-YPMHNXCESA-N 0 0 344.249 2.198 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)OC[C@H]2Cc3ccccc32)c1 ZINC000803305395 1240066283 /nfs/dbraw/zinc/06/62/83/1240066283.db2.gz LYISVJLYAQARIR-GFCCVEGCSA-N 0 0 347.392 2.260 10 10 EECERN CC(C)[C@H](C)CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000803687355 1241335750 /nfs/dbraw/zinc/33/57/50/1241335750.db2.gz CGVAJSKKGOAJGG-CQSZACIVSA-N 0 0 331.460 2.094 10 10 EECERN COc1ccc(CNC(=O)N[C@@H]2CCc3cc(N)ccc32)c(O)c1 ZINC000851674907 1277712685 /nfs/dbraw/zinc/71/26/85/1277712685.db2.gz KOQNYWKOXGWMED-MRXNPFEDSA-N 0 0 327.384 2.470 10 10 EECERN CCOC(=O)CN(CCO[C@H]1CC1(F)F)Cc1ccccc1O ZINC000852193232 1292035715 /nfs/dbraw/zinc/03/57/15/1292035715.db2.gz ZNQOKTCGXITLAR-AWEZNQCLSA-N 0 0 329.343 2.182 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NOCC(F)(F)F)C2)cc1 ZINC000852217424 1292045240 /nfs/dbraw/zinc/04/52/40/1292045240.db2.gz BXBFFERPFIHENK-SNVBAGLBSA-N 0 0 333.310 2.067 10 10 EECERN C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N(C)C)cc1 ZINC000852262126 1292069763 /nfs/dbraw/zinc/06/97/63/1292069763.db2.gz ZFVMPLLDWXYKEY-CYBMUJFWSA-N 0 0 325.416 2.372 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCCO[C@H]2CC2(F)F)c1 ZINC000852529523 1292127558 /nfs/dbraw/zinc/12/75/58/1292127558.db2.gz HUSZVHZYXSJORS-RNCFNFMXSA-N 0 0 330.331 2.185 10 10 EECERN Cc1cc(CC(=O)OCCN2CCNC2=O)c(C)n1-c1ccccc1 ZINC000853103652 1292282462 /nfs/dbraw/zinc/28/24/62/1292282462.db2.gz CFHQBRQTPDCBHJ-UHFFFAOYSA-N 0 0 341.411 2.205 10 10 EECERN O=C(NCCCSc1nccs1)NCCO[C@H]1CC1(F)F ZINC000853855701 1292490454 /nfs/dbraw/zinc/49/04/54/1292490454.db2.gz DDFVASZEJHLDFS-VIFPVBQESA-N 0 0 337.417 2.349 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)CCCC(=O)OC)c([N+](=O)[O-])c1 ZINC000853895832 1292514570 /nfs/dbraw/zinc/51/45/70/1292514570.db2.gz PFSXYXPNSUNZRI-CLFYSBASSA-N 0 0 336.344 2.170 10 10 EECERN COCCC1CN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854187790 1292666213 /nfs/dbraw/zinc/66/62/13/1292666213.db2.gz QYYCUAIZLZMZKI-HNNXBMFYSA-N 0 0 347.459 2.199 10 10 EECERN COC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296691 1292707608 /nfs/dbraw/zinc/70/76/08/1292707608.db2.gz GCQCDYGUVJZMKY-NVXWUHKLSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCCC[C@@H]3CCO)C2)cc1 ZINC000854298346 1292710427 /nfs/dbraw/zinc/71/04/27/1292710427.db2.gz AXGSMANVEZQCFP-NVXWUHKLSA-N 0 0 347.459 2.220 10 10 EECERN CCC[C@@H](CCO)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300069 1292711027 /nfs/dbraw/zinc/71/10/27/1292711027.db2.gz OZKYPJQZBYEVME-HOTGVXAUSA-N 0 0 349.475 2.372 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C[C@@H](C)O)C(C)C)C2)cc1 ZINC000854299443 1292711612 /nfs/dbraw/zinc/71/16/12/1292711612.db2.gz JCWXDSVIVYTVDX-CABCVRRESA-N 0 0 335.448 2.075 10 10 EECERN Cc1cc(CC(=O)N(C)Cc2nncn2C)c(C)n1-c1ccccc1 ZINC000854474837 1292798012 /nfs/dbraw/zinc/79/80/12/1292798012.db2.gz HXSZZIYUMULOLG-UHFFFAOYSA-N 0 0 337.427 2.424 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cncnc3C3CC3)C2)cc1 ZINC000855223148 1293116427 /nfs/dbraw/zinc/11/64/27/1293116427.db2.gz FMCHKVOEPPZINA-AWEZNQCLSA-N 0 0 338.411 2.371 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCCC(=O)NC(C)C)C2)cc1 ZINC000855228497 1293119849 /nfs/dbraw/zinc/11/98/49/1293119849.db2.gz BGMNDASNDPBVDX-HNNXBMFYSA-N 0 0 347.459 2.085 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3c(C)noc3C)C2)cc1 ZINC000855229303 1293121012 /nfs/dbraw/zinc/12/10/12/1293121012.db2.gz MKSYTGROFZKPEL-AWEZNQCLSA-N 0 0 329.400 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccn(C(C)C)n3)C2)cc1 ZINC000855231068 1293121097 /nfs/dbraw/zinc/12/10/97/1293121097.db2.gz JBNWEHCISDIIDW-CQSZACIVSA-N 0 0 328.416 2.481 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cccc4c3OCO4)C2)cc1 ZINC000855232584 1293121742 /nfs/dbraw/zinc/12/17/42/1293121742.db2.gz SEVFMQZWKLUKFV-ZDUSSCGKSA-N 0 0 340.379 2.433 10 10 EECERN COC(=O)C1=CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000858737657 1294207754 /nfs/dbraw/zinc/20/77/54/1294207754.db2.gz BQMFXWZLJXZDEU-CQSZACIVSA-N 0 0 344.411 2.332 10 10 EECERN CC1(C)CCC[C@@H]1CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000861776386 1295536407 /nfs/dbraw/zinc/53/64/07/1295536407.db2.gz KUWKQWDZRUHZBV-OAHLLOKOSA-N 0 0 331.460 2.260 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1Cc2cncn2C1 ZINC000861891822 1295583547 /nfs/dbraw/zinc/58/35/47/1295583547.db2.gz LLSXCFXASPXXGH-INIZCTEOSA-N 0 0 348.406 2.458 10 10 EECERN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000797605257 1304788082 /nfs/dbraw/zinc/78/80/82/1304788082.db2.gz OLBBWPTVKXMSGK-OAHLLOKOSA-N 0 0 341.249 2.421 10 10 EECERN CC(C)(C)C1=CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001119019023 1308976012 /nfs/dbraw/zinc/97/60/12/1308976012.db2.gz SUFLUAZGQRARNV-UHFFFAOYSA-N 0 0 328.412 2.439 10 10 EECERN CC(=O)NCC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001287437680 1327497592 /nfs/dbraw/zinc/49/75/92/1327497592.db2.gz HWQCXIAYKQLDQQ-CQSZACIVSA-N 0 0 333.392 2.130 10 10 EECERN CN(C)c1nccc(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000840327943 1315351782 /nfs/dbraw/zinc/35/17/82/1315351782.db2.gz XPHLIJLKEHDTEU-UHFFFAOYSA-N 0 0 349.385 2.270 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCCOCCc1ccccc1 ZINC001141944892 1315396299 /nfs/dbraw/zinc/39/62/99/1315396299.db2.gz FDIHGRDTEDNZHX-UHFFFAOYSA-N 0 0 329.396 2.406 10 10 EECERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(N)cc3)C2)n(C)n1 ZINC000841297972 1315524543 /nfs/dbraw/zinc/52/45/43/1315524543.db2.gz XAMSATBBMUPQAY-HNNXBMFYSA-N 0 0 328.420 2.101 10 10 EECERN C=C/C=C/CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001142566016 1315663345 /nfs/dbraw/zinc/66/33/45/1315663345.db2.gz SYKBCURWSRPFEM-SNAWJCMRSA-N 0 0 329.444 2.066 10 10 EECERN COc1cccc(CNC(=O)c2c(C)[nH]nc2Br)c1O ZINC001150542718 1316295133 /nfs/dbraw/zinc/29/51/33/1316295133.db2.gz DBRUYYCSACLJFC-UHFFFAOYSA-N 0 0 340.177 2.125 10 10 EECERN O=C(C[C@H](n1cccn1)C(F)(F)F)NCc1cc(O)ccc1O ZINC001153885114 1316908571 /nfs/dbraw/zinc/90/85/71/1316908571.db2.gz KVAZMFWJEKFGQG-LBPRGKRZSA-N 0 0 329.278 2.104 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COCc1cc(C)on1 ZINC001157108173 1318409111 /nfs/dbraw/zinc/40/91/11/1318409111.db2.gz TXOOFDBSDSBKIW-UHFFFAOYSA-N 0 0 325.361 2.007 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1noc(-c2cccc(F)c2)n1 ZINC001162278688 1320803824 /nfs/dbraw/zinc/80/38/24/1320803824.db2.gz KAFIMTMJBFQXDG-UHFFFAOYSA-N 0 0 329.287 2.217 10 10 EECERN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC001261450681 1322105920 /nfs/dbraw/zinc/10/59/20/1322105920.db2.gz FYXFAWUFHPRAGR-MUJYYYPQSA-N 0 0 341.455 2.158 10 10 EECERN Cc1cc(NC(=O)c2ccc(C3=S=C(C=O)C=C3)cc2)n(C)n1 ZINC001291730205 1328321372 /nfs/dbraw/zinc/32/13/72/1328321372.db2.gz JATOVJVBGLXVKV-UHFFFAOYSA-N 0 0 325.393 2.176 10 10 EECERN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)cc(NC2CC2)n1 ZINC001294913642 1329763458 /nfs/dbraw/zinc/76/34/58/1329763458.db2.gz QVESQUGOAMCTKB-UHFFFAOYSA-N 0 0 327.384 2.348 10 10 EECERN C/C=C(\C)C(=O)NCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001299138165 1330165575 /nfs/dbraw/zinc/16/55/75/1330165575.db2.gz DNRULHOJAAKLQD-GCSLDSFSSA-N 0 0 343.387 2.194 10 10 EECERN CN1c2ccccc2CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1=O ZINC001300961800 1331285104 /nfs/dbraw/zinc/28/51/04/1331285104.db2.gz DBLQGZKFNABZFI-VQHVLOKHSA-N 0 0 338.363 2.116 10 10 EECERN O=C(CNC(=O)c1cc2ccccc2[nH]1)NCc1c(O)cccc1F ZINC001303877514 1331368891 /nfs/dbraw/zinc/36/88/91/1331368891.db2.gz DVYLAGNLJFHSJN-UHFFFAOYSA-N 0 0 341.342 2.059 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@]34CCOC4)C2)cc1 ZINC001325910797 1333992169 /nfs/dbraw/zinc/99/21/69/1333992169.db2.gz LGIBWEFIJGQLBA-KXBFYZLASA-N 0 0 345.443 2.096 10 10 EECERN CO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@@](C)(CO)C1 ZINC001330019144 1334761793 /nfs/dbraw/zinc/76/17/93/1334761793.db2.gz RMVIDMWCCWCPPB-HNAYVOBHSA-N 0 0 343.427 2.101 10 10 EECERN COC(=O)[C@@H]1CN(C(=O)/C(C)=C/c2cccnc2)c2ccccc2O1 ZINC001352206618 1337904754 /nfs/dbraw/zinc/90/47/54/1337904754.db2.gz JAMMYYKVRZETMZ-RTGRKSDTSA-N 0 0 338.363 2.452 10 10 EECERN COc1c(C)ncnc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000848647920 1338735880 /nfs/dbraw/zinc/73/58/80/1338735880.db2.gz OFDGNMGCUMNCCX-UHFFFAOYSA-N 0 0 332.379 2.381 10 10 EECERN C[C@H](NCc1cc2c(cc1O)OCO2)C(=O)OCc1ccccc1 ZINC000848920009 1338806773 /nfs/dbraw/zinc/80/67/73/1338806773.db2.gz BHWKIDTULCUTOB-LBPRGKRZSA-N 0 0 329.352 2.342 10 10 EECERN CNC(=O)NCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001557141568 1342441941 /nfs/dbraw/zinc/44/19/41/1342441941.db2.gz JMGKHASRWYRTSD-UHFFFAOYSA-N 0 0 342.443 2.370 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC001557255987 1342444607 /nfs/dbraw/zinc/44/46/07/1342444607.db2.gz VTIAPXAPRHWRLE-ZWNOBZJWSA-N 0 0 333.306 2.257 10 10 EECERN COC(=O)c1occc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001557537101 1342450267 /nfs/dbraw/zinc/45/02/67/1342450267.db2.gz IAPRMQNUNPKBIY-UHFFFAOYSA-N 0 0 330.300 2.159 10 10 EECERN Cc1nn(C(F)F)c(C)c1CC(=O)NCc1c(O)cccc1O ZINC001558534538 1342480829 /nfs/dbraw/zinc/48/08/29/1342480829.db2.gz UDMGSTFIIYHYRF-UHFFFAOYSA-N 0 0 325.315 2.165 10 10 EECERN Cc1ncoc1CNC(=O)NCc1cccc(Br)c1O ZINC001565443092 1342555277 /nfs/dbraw/zinc/55/52/77/1342555277.db2.gz DPFKQNWAMYIJKK-UHFFFAOYSA-N 0 0 340.177 2.451 10 10 EECERN CCCc1c(C(=O)NCc2cc(O)ccc2O)[nH]c(C)c1C(=O)OC ZINC001593873258 1349873215 /nfs/dbraw/zinc/87/32/15/1349873215.db2.gz NAEYDZUKJCWTLW-UHFFFAOYSA-N 0 0 346.383 2.403 10 10 EECERN COc1ccc2[nH]cc(CC(=O)NCc3cc(O)ccc3O)c2c1 ZINC001593873214 1349873276 /nfs/dbraw/zinc/87/32/76/1349873276.db2.gz LORKSHRBANHSCW-UHFFFAOYSA-N 0 0 326.352 2.447 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(N2CCOC2=O)c1 ZINC001594929369 1349878791 /nfs/dbraw/zinc/87/87/91/1349878791.db2.gz ATKAYDUYGCRYEQ-UHFFFAOYSA-N 0 0 328.324 2.236 10 10 EECERN CS(C)(=O)=Nc1ccccc1C(=O)NCc1c(O)cccc1O ZINC001597574675 1349928039 /nfs/dbraw/zinc/92/80/39/1349928039.db2.gz PYTTWHHKMQDFJC-UHFFFAOYSA-N 0 0 334.397 2.387 10 10 EECERN CN(C)[C@H](C(=O)NCc1c(O)ccc2ccccc21)c1cncn1C ZINC001597742762 1349931026 /nfs/dbraw/zinc/93/10/26/1349931026.db2.gz OQVPLAFPPSMJDF-SFHVURJKSA-N 0 0 338.411 2.198 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCC=CO1 ZINC001623928073 1352409224 /nfs/dbraw/zinc/40/92/24/1352409224.db2.gz DIOSBXDWZAFDFO-CQSZACIVSA-N 0 0 339.775 2.240 10 10 EECERN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001628201058 1352525200 /nfs/dbraw/zinc/52/52/00/1352525200.db2.gz ASZIBYHCNVNYAG-WDEREUQCSA-N 0 0 338.404 2.058 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2ncc[nH]2)n1 ZINC001632681928 1352600787 /nfs/dbraw/zinc/60/07/87/1352600787.db2.gz XOZSGWNZRVFKHZ-VIFPVBQESA-N 0 0 344.396 2.305 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2ncc[nH]2)n1 ZINC001632681927 1352601114 /nfs/dbraw/zinc/60/11/14/1352601114.db2.gz XOZSGWNZRVFKHZ-SECBINFHSA-N 0 0 344.396 2.305 10 10 EECERN Cc1cc(F)cc2c(O)c(C(=O)NCc3ccc(O)cc3O)cnc12 ZINC001638352501 1352687689 /nfs/dbraw/zinc/68/76/89/1352687689.db2.gz QNYXWESAVYGCSW-UHFFFAOYSA-N 0 0 342.326 2.317 10 10 EECERN O=C(CCc1nnc(-c2ccsc2)o1)NCc1c(O)cccc1O ZINC001639289096 1352696487 /nfs/dbraw/zinc/69/64/87/1352696487.db2.gz JJTQMDOLOHPXQW-UHFFFAOYSA-N 0 0 345.380 2.458 10 10 EECERN O=C(Cc1cnn(-c2ccccc2)n1)NCc1cc(Cl)ccc1O ZINC001639965893 1352703431 /nfs/dbraw/zinc/70/34/31/1352703431.db2.gz SRMCVMGKPGKCTC-UHFFFAOYSA-N 0 0 342.786 2.485 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1n[nH]cc1C(N)=O ZINC001640629494 1352712858 /nfs/dbraw/zinc/71/28/58/1352712858.db2.gz KHNXRJGWTIVWAG-UHFFFAOYSA-N 0 0 329.385 2.230 10 10 EECERN CCc1noc([C@H]2CC[C@H](NC(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC001646201169 1352820907 /nfs/dbraw/zinc/82/09/07/1352820907.db2.gz CDLJOYJXEKCUJO-QWRGUYRKSA-N 0 0 331.372 2.418 10 10 EECERN O=C(Cc1c[nH]c2nccc(Cl)c12)NCc1c(O)cccc1O ZINC001652628830 1354097580 /nfs/dbraw/zinc/09/75/80/1354097580.db2.gz MEBVJFHMEKOGTE-UHFFFAOYSA-N 0 0 331.759 2.486 10 10 EECERN COc1ccc(-c2noc(CN[C@H](C)c3ccccc3O)n2)nn1 ZINC001654532229 1354151348 /nfs/dbraw/zinc/15/13/48/1354151348.db2.gz LDHDGWMWELIHDG-SNVBAGLBSA-N 0 0 327.344 2.092 10 10 EECERN C[C@H](NS(=O)(=O)c1ccnn1CC1CCC1)c1ccccc1O ZINC000919117456 769594337 /nfs/dbraw/zinc/59/43/37/769594337.db2.gz DBOPLUMTBNVKQC-LBPRGKRZSA-N 0 0 335.429 2.428 10 10 EECERN CO[C@@H](CS(=O)(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000921451511 773381935 /nfs/dbraw/zinc/38/19/35/773381935.db2.gz QVGCILOXYGDFEQ-INIZCTEOSA-N 0 0 339.388 2.338 10 10 EECERN Cc1cc(C(=O)CN2CCC[C@@H]2C(N)=O)c(C)n1-c1ccc(F)cc1 ZINC000170729261 791006826 /nfs/dbraw/zinc/00/68/26/791006826.db2.gz RNFLYNDQUOGHBN-QGZVFWFLSA-N 0 0 343.402 2.366 10 10 EECERN Cc1nc([C@@](C)(NC(=O)/C=C/c2ccc(O)c(O)c2)C2CC2)no1 ZINC000817630104 784862167 /nfs/dbraw/zinc/86/21/67/784862167.db2.gz FSQHQJASDLEICO-AUNFYEFLSA-N 0 0 329.356 2.244 10 10 EECERN CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 ZINC001136438588 786715462 /nfs/dbraw/zinc/71/54/62/786715462.db2.gz WBZMVVIUMOLAGB-UHFFFAOYSA-N 0 0 343.379 2.463 10 10 EECERN COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000822084053 787025931 /nfs/dbraw/zinc/02/59/31/787025931.db2.gz ZVZIXAQNWDBJNW-JLJPHGGASA-N 0 0 348.443 2.288 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccnnc3C)C2)cc1 ZINC000822584939 787303702 /nfs/dbraw/zinc/30/37/02/787303702.db2.gz PNZBGQHYFIXHHP-ZDUSSCGKSA-N 0 0 327.388 2.194 10 10 EECERN Cc1ccc(C(=O)N2C[C@H](CO)Cc3cccc(F)c32)c(O)c1O ZINC000911692698 787642336 /nfs/dbraw/zinc/64/23/36/787642336.db2.gz RTTYORQUODXYQB-LLVKDONJSA-N 0 0 331.343 2.357 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(O)cccc3OC)C2)cc1 ZINC000912292996 788090121 /nfs/dbraw/zinc/09/01/21/788090121.db2.gz RNRRMXUSDNIJQP-ZDUSSCGKSA-N 0 0 342.395 2.418 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)nnc2N(C)C)c1 ZINC000824534368 788205316 /nfs/dbraw/zinc/20/53/16/788205316.db2.gz DAASRJUTCOMCPH-LLVKDONJSA-N 0 0 345.403 2.448 10 10 EECERN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)NCc2c(O)cccc2F)cn1 ZINC000923302906 789340571 /nfs/dbraw/zinc/34/05/71/789340571.db2.gz XGBDQYZIKBLHDA-XJKSGUPXSA-N 0 0 346.406 2.475 10 10 EECERN O=C(C[C@@H]1CC(=O)Nc2ccccc21)NCc1cccc(O)c1O ZINC001176576961 798503180 /nfs/dbraw/zinc/50/31/80/798503180.db2.gz VRSOEECLELNUQG-GFCCVEGCSA-N 0 0 326.352 2.230 10 10 EECERN Cn1cnc(-c2ccc(C(=O)NCc3c(O)cccc3F)cc2)n1 ZINC001178413706 799467439 /nfs/dbraw/zinc/46/74/39/799467439.db2.gz XARSORKQCAWKKI-UHFFFAOYSA-N 0 0 326.331 2.257 10 10 EECERN Cn1cc([N+](=O)[O-])c(C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001179033472 799759838 /nfs/dbraw/zinc/75/98/38/799759838.db2.gz XITKYWSVPUCFOU-UHFFFAOYSA-N 0 0 326.312 2.117 10 10 EECERN Cn1c(CCNC(=O)c2c(F)ccc(O)c2O)nc2ccccc21 ZINC001182698998 801311971 /nfs/dbraw/zinc/31/19/71/801311971.db2.gz YLCZNVSFFMUZPC-UHFFFAOYSA-N 0 0 329.331 2.096 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1F ZINC000787402462 807117814 /nfs/dbraw/zinc/11/78/14/807117814.db2.gz VZNIFPJSIYKSGO-HALDLXJZSA-N 0 0 333.407 2.464 10 10 EECERN COC(=O)[C@H]1[C@H](CN2CCOc3cc(N(C)C)ccc32)C1(F)F ZINC000787778546 807232812 /nfs/dbraw/zinc/23/28/12/807232812.db2.gz WBFSONKVULOSQJ-SMDDNHRTSA-N 0 0 326.343 2.006 10 10 EECERN Cc1ccnc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000791542829 809291037 /nfs/dbraw/zinc/29/10/37/809291037.db2.gz RXVJZMMNOICDQZ-AWEZNQCLSA-N 0 0 326.400 2.113 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)c2C)cc1 ZINC000794226352 810720464 /nfs/dbraw/zinc/72/04/64/810720464.db2.gz FCCBHADRBWQXCT-PIIMJCKOSA-N 0 0 326.396 2.477 10 10 EECERN O=C(NCCn1cccc1)NCc1cc(Br)ccc1O ZINC000805189748 811178675 /nfs/dbraw/zinc/17/86/75/811178675.db2.gz WVKSCPHFYZTNQD-UHFFFAOYSA-N 0 0 338.205 2.456 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2ncc(Cl)cn2)cc1 ZINC001130547806 811784162 /nfs/dbraw/zinc/78/41/62/811784162.db2.gz QIVSEDISHOCQLO-UHFFFAOYSA-N 0 0 334.807 2.347 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000806614576 811939414 /nfs/dbraw/zinc/93/94/14/811939414.db2.gz XQAIMGWNGFLDAD-CQSZACIVSA-N 0 0 343.402 2.477 10 10 EECERN COC(=O)c1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1C ZINC001566129357 1125578449 /nfs/dbraw/zinc/57/84/49/1125578449.db2.gz SQMRMNCGUYXLHR-UHFFFAOYSA-N 0 0 329.316 2.226 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C\c1nccs1 ZINC001451907281 1098024971 /nfs/dbraw/zinc/02/49/71/1098024971.db2.gz AHVDFKLUVUBNGK-FPLPWBNLSA-N 0 0 346.408 2.454 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc([S@@](C)=O)cc1 ZINC001447301043 1102404010 /nfs/dbraw/zinc/40/40/10/1102404010.db2.gz IEODNKVMNKYXAG-QVQLBTGDSA-N 0 0 333.409 2.255 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCc2cn3c(n2)SCC3)cc1 ZINC001448007145 1103783680 /nfs/dbraw/zinc/78/36/80/1103783680.db2.gz KFKFMJWFTFVSPK-UHFFFAOYSA-N 0 0 344.400 2.124 10 10 EECERN CCOC(=O)c1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(C)n1 ZINC001458311750 1109857462 /nfs/dbraw/zinc/85/74/62/1109857462.db2.gz WWVTWDTVOKFQJO-JTQLQIEISA-N 0 0 331.372 2.416 10 10 EECERN CCOC(=O)[C@@H](C(=O)NCc1ccc(OC)cc1O)c1ccccc1 ZINC001467471541 1110456958 /nfs/dbraw/zinc/45/69/58/1110456958.db2.gz IMXUDUYXGRHHHJ-QGZVFWFLSA-N 0 0 343.379 2.364 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC001468121986 1110469204 /nfs/dbraw/zinc/46/92/04/1110469204.db2.gz DEXFWMMICDUIRD-OAHLLOKOSA-N 0 0 331.343 2.380 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC001478648141 1110656174 /nfs/dbraw/zinc/65/61/74/1110656174.db2.gz CGSUCGGNAZXGRO-PBHICJAKSA-N 0 0 344.415 2.187 10 10 EECERN Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc(N(C)C)cc1C ZINC001510673607 1117854130 /nfs/dbraw/zinc/85/41/30/1117854130.db2.gz MWEBJGPEKIPIIE-ACJLOTCBSA-N 0 0 343.475 2.216 10 10 EECERN CCCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)C(C)C ZINC001529600858 1121494365 /nfs/dbraw/zinc/49/43/65/1121494365.db2.gz LVAQDYMQSOJTMD-UHFFFAOYSA-N 0 0 347.419 2.473 10 10 EECERN C[C@@H](O)C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001545523947 1124194209 /nfs/dbraw/zinc/19/42/09/1124194209.db2.gz BSDUUBCSBQUJBF-CZUORRHYSA-N 0 0 329.396 2.311 10 10 EECERN CN(C)c1nc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2[nH]1 ZINC001568174964 1124339978 /nfs/dbraw/zinc/33/99/78/1124339978.db2.gz PPUDXVITKOYLBX-UHFFFAOYSA-N 0 0 326.356 2.221 10 10 EECERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000091989947 237032747 /nfs/dbraw/zinc/03/27/47/237032747.db2.gz ALHAJBGLRROAKZ-GHMZBOCLSA-N 0 0 326.418 2.024 10 10 EECERN CCOc1ccc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1 ZINC000005471719 210471087 /nfs/dbraw/zinc/47/10/87/210471087.db2.gz SKFGSQVAXIZQDD-UHFFFAOYSA-N 0 0 332.425 2.464 10 10 EECERN C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000055510915 132195253 /nfs/dbraw/zinc/19/52/53/132195253.db2.gz RBXPZQLMDYXCEE-GOEBONIOSA-N 0 0 349.450 2.324 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000296934948 465240661 /nfs/dbraw/zinc/24/06/61/465240661.db2.gz XFNYDUGGAXIHLZ-JMCQJSRRSA-N 0 0 337.269 2.012 10 10 EECERN Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000065903483 462838304 /nfs/dbraw/zinc/83/83/04/462838304.db2.gz CSNVNJCQOYQCCG-UHFFFAOYSA-N 0 0 329.375 2.195 10 10 EECERN CCCC(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)CC1CC1 ZINC000069898444 463347564 /nfs/dbraw/zinc/34/75/64/463347564.db2.gz MCTDSSRJODZSKL-UHFFFAOYSA-N 0 0 331.460 2.408 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000056392510 463398167 /nfs/dbraw/zinc/39/81/67/463398167.db2.gz QMCMSZRZXITLSB-CRAIPNDOSA-N 0 0 347.459 2.484 10 10 EECERN Cc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc1C ZINC000042079672 463540741 /nfs/dbraw/zinc/54/07/41/463540741.db2.gz PWWPAIYAOKNLPG-UHFFFAOYSA-N 0 0 337.423 2.170 10 10 EECERN CCn1c(C)nnc1CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000177712526 463772464 /nfs/dbraw/zinc/77/24/64/463772464.db2.gz WJKCAMFRDOAARV-UHFFFAOYSA-N 0 0 333.411 2.076 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)Cc2cc(C)on2)cc1 ZINC000265336656 464523280 /nfs/dbraw/zinc/52/32/80/464523280.db2.gz NWWDSLISBVLTFC-UHFFFAOYSA-N 0 0 337.445 2.449 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(C)C(=O)C1 ZINC000189789657 464550727 /nfs/dbraw/zinc/55/07/27/464550727.db2.gz UHTFMLBKMRVKGU-UHFFFAOYSA-N 0 0 331.441 2.460 10 10 EECERN Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cnn1 ZINC000276130610 464819616 /nfs/dbraw/zinc/81/96/16/464819616.db2.gz AXNUDKISZITTSQ-MRXNPFEDSA-N 0 0 327.384 2.312 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1CC(F)(F)F ZINC000291803617 534142238 /nfs/dbraw/zinc/14/22/38/534142238.db2.gz ZNUNVNVLABVCGZ-ZYHUDNBSSA-N 0 0 346.349 2.172 10 10 EECERN COC(=O)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000772299199 577262649 /nfs/dbraw/zinc/26/26/49/577262649.db2.gz CKLJFNMNKHXZHP-HNNXBMFYSA-N 0 0 346.408 2.425 10 10 EECERN CCOC[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000777694340 577484976 /nfs/dbraw/zinc/48/49/76/577484976.db2.gz JJNOIPHKVLJVNR-HNNXBMFYSA-N 0 0 335.448 2.090 10 10 EECERN O=C(OCCCc1nc(-c2ccncc2)no1)c1cccc(O)c1O ZINC000758559024 577627134 /nfs/dbraw/zinc/62/71/34/577627134.db2.gz PENQXFMOXDVNGE-UHFFFAOYSA-N 0 0 341.323 2.332 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)NCc2noc(C3CC3)n2)cc1 ZINC000763549142 577722494 /nfs/dbraw/zinc/72/24/94/577722494.db2.gz PLFDVOJRBIEWSB-UHFFFAOYSA-N 0 0 329.404 2.355 10 10 EECERN CN(C)c1ccc(CNC(=O)NCCc2cnc(C3CC3)nc2)cc1 ZINC000755841943 577832758 /nfs/dbraw/zinc/83/27/58/577832758.db2.gz ZQVKFFQKESZNGP-UHFFFAOYSA-N 0 0 339.443 2.462 10 10 EECERN C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756609741 577847460 /nfs/dbraw/zinc/84/74/60/577847460.db2.gz FYPGXBWJVKJBLK-STQMWFEESA-N 0 0 345.403 2.354 10 10 EECERN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000748346954 577959793 /nfs/dbraw/zinc/95/97/93/577959793.db2.gz QVTOEJUJPQTRJM-HNNXBMFYSA-N 0 0 344.436 2.304 10 10 EECERN COc1cccc(CNC(=O)CSCC(=O)OC(C)(C)C)c1O ZINC000741282775 578116248 /nfs/dbraw/zinc/11/62/48/578116248.db2.gz MPKUBTYYARQIIJ-UHFFFAOYSA-N 0 0 341.429 2.092 10 10 EECERN C[C@@H]1COCC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738768 675611623 /nfs/dbraw/zinc/61/16/23/675611623.db2.gz CXVQHCOJSNCYJV-SKDRFNHKSA-N 0 0 328.206 2.444 10 10 EECERN COc1ccc(N(C)CCn2nc3ccccn3c2=O)cc1Cl ZINC000121901733 678644208 /nfs/dbraw/zinc/64/42/08/678644208.db2.gz FLRCEEJXQKJJNH-UHFFFAOYSA-N 0 0 332.791 2.294 10 10 EECERN COc1cccc2c1N(S(=O)(=O)c1cccc3nonc31)CCC2 ZINC000161557970 678858808 /nfs/dbraw/zinc/85/88/08/678858808.db2.gz YYKKTADSJPFZSI-UHFFFAOYSA-N 0 0 345.380 2.373 10 10 EECERN C[C@@H](NC(=O)Nc1nncs1)c1ccc(N2CCOCC2)cc1 ZINC000065278644 679516603 /nfs/dbraw/zinc/51/66/03/679516603.db2.gz WBHPRVQJLRNJMN-LLVKDONJSA-N 0 0 333.417 2.257 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)NCC1CSC1 ZINC000914200176 683354580 /nfs/dbraw/zinc/35/45/80/683354580.db2.gz BFVFHQFEPFRDNO-UHFFFAOYSA-N 0 0 337.514 2.402 10 10 EECERN C[C@H](C[S@](C)=O)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897374379 688611230 /nfs/dbraw/zinc/61/12/30/688611230.db2.gz RJQFFPSZOHHNHP-ZEDNOMKYSA-N 0 0 327.427 2.152 10 10 EECERN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@]2(CCOC2)O1 ZINC000897627970 691706457 /nfs/dbraw/zinc/70/64/57/691706457.db2.gz ZBUDYFCMFXDMEO-QGHHPUGFSA-N 0 0 349.408 2.333 10 10 EECERN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N(C)Cc3ccccc3O)[C@@H]2C1 ZINC000897715511 691761914 /nfs/dbraw/zinc/76/19/14/691761914.db2.gz MGXANQZHUGAKRR-BARDWOONSA-N 0 0 332.400 2.121 10 10 EECERN C[C@H](O)CN(CC(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897920738 691823554 /nfs/dbraw/zinc/82/35/54/691823554.db2.gz RKEABEMXYDWXAG-ZETCQYMHSA-N 0 0 331.340 2.401 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)c2cncn2C)cc1 ZINC000898881749 693510888 /nfs/dbraw/zinc/51/08/88/693510888.db2.gz OXUQYQXPESGODW-KRWDZBQOSA-N 0 0 338.411 2.291 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cccc3[nH]c(=O)[nH]c32)cc1F ZINC001625952136 1186796685 /nfs/dbraw/zinc/79/66/85/1186796685.db2.gz UEVULQDPSNTJMD-UHFFFAOYSA-N 0 0 328.347 2.404 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001142532973 1188237909 /nfs/dbraw/zinc/23/79/09/1188237909.db2.gz AZBXBJHNQUUNRM-LSDHHAIUSA-N 0 0 328.324 2.426 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)C1(C)CC1 ZINC001486905337 1197067477 /nfs/dbraw/zinc/06/74/77/1197067477.db2.gz FKRZCWRTMOPCEX-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN CC/C=C(/F)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000864953982 1198015933 /nfs/dbraw/zinc/01/59/33/1198015933.db2.gz MAKPOFDFBXVKFM-DAYMUQGCSA-N 0 0 333.407 2.268 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000864984202 1198032877 /nfs/dbraw/zinc/03/28/77/1198032877.db2.gz JNKVISZYOFKDOV-OAHLLOKOSA-N 0 0 325.412 2.338 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C/c1cnc(Cl)c(F)c1 ZINC000865219372 1198128591 /nfs/dbraw/zinc/12/85/91/1198128591.db2.gz ZDSGUXAXEDXRHG-UXBLZVDNSA-N 0 0 327.768 2.177 10 10 EECERN CNC(=O)c1cncc(/C=C\C(=O)N2CCCCc3cccnc32)c1 ZINC000872295760 1198134230 /nfs/dbraw/zinc/13/42/30/1198134230.db2.gz YETOKIMKFVFCNS-FPLPWBNLSA-N 0 0 336.395 2.219 10 10 EECERN COc1ccc(N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1 ZINC000865403066 1198198428 /nfs/dbraw/zinc/19/84/28/1198198428.db2.gz OEDMYKQXFLXNFO-UHFFFAOYSA-N 0 0 339.443 2.412 10 10 EECERN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C2 ZINC000875507919 1199276420 /nfs/dbraw/zinc/27/64/20/1199276420.db2.gz NJQSIASFKXNYKG-IBWPGLOJSA-N 0 0 345.443 2.455 10 10 EECERN C[C@@H](Nc1nc(C(N)=O)cs1)c1ccc(N2CCOCC2)cc1 ZINC000814360515 1199455677 /nfs/dbraw/zinc/45/56/77/1199455677.db2.gz CJHJDXIBCXXUDL-LLVKDONJSA-N 0 0 332.429 2.252 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC000811951395 1200422487 /nfs/dbraw/zinc/42/24/87/1200422487.db2.gz DTBHSVOKOGAQGC-QWRGUYRKSA-N 0 0 330.388 2.042 10 10 EECERN COc1ccc([C@@H]2CN(C(=O)Cc3ccc(N)cc3)CCO2)cc1 ZINC000870984163 1200989594 /nfs/dbraw/zinc/98/95/94/1200989594.db2.gz IIHHUDJFTGZDRR-SFHVURJKSA-N 0 0 326.396 2.420 10 10 EECERN CCOC(=O)CSc1cncc(N2Cc3cccc(O)c3C2)n1 ZINC000866117568 1201438360 /nfs/dbraw/zinc/43/83/60/1201438360.db2.gz OJYDZXJFZKTXDC-UHFFFAOYSA-N 0 0 331.397 2.358 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]nc2[C@@H]2CCCO2)c1 ZINC000866762976 1201600275 /nfs/dbraw/zinc/60/02/75/1201600275.db2.gz BJFFFDBYOYJSBU-BMIGLBTASA-N 0 0 331.372 2.466 10 10 EECERN C[C@H](NS(=O)(=O)c1c2c(nn1C)CCCC2)c1ccccc1O ZINC000867836261 1201690676 /nfs/dbraw/zinc/69/06/76/1201690676.db2.gz LNTYHZXPAOTJLO-NSHDSACASA-N 0 0 335.429 2.044 10 10 EECERN COc1ccc(CNC(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC000867956294 1201714848 /nfs/dbraw/zinc/71/48/48/1201714848.db2.gz QFMDTGHMKGSGFL-ZMZPIMSZSA-N 0 0 335.400 2.385 10 10 EECERN CCN(CC)c1ccc(CNc2cncc(OCCO)n2)cc1F ZINC000132605539 1202113957 /nfs/dbraw/zinc/11/39/57/1202113957.db2.gz MTRKNGPVIPDCFW-UHFFFAOYSA-N 0 0 334.395 2.445 10 10 EECERN O=C(NCc1cncc(O)c1)NCc1c(O)ccc2c1CCCC2 ZINC000927799461 1206305127 /nfs/dbraw/zinc/30/51/27/1206305127.db2.gz WYRPOCNPTCNLJP-UHFFFAOYSA-N 0 0 327.384 2.371 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000928712095 1206413993 /nfs/dbraw/zinc/41/39/93/1206413993.db2.gz OPFMLYVFCVGDFM-INIZCTEOSA-N 0 0 342.370 2.452 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000779538363 1210458069 /nfs/dbraw/zinc/45/80/69/1210458069.db2.gz YTSXDTICIBTRCK-BRLPQQTGSA-N 0 0 338.363 2.353 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000795207487 1212093980 /nfs/dbraw/zinc/09/39/80/1212093980.db2.gz WOFYDPGTEBHQTB-DXTPNHAXSA-N 0 0 332.356 2.254 10 10 EECERN CC1CCN(c2ccc(CNC(=O)/C=C\Cn3cncn3)cc2)CC1 ZINC000900627184 1234581933 /nfs/dbraw/zinc/58/19/33/1234581933.db2.gz QDLICAPHFRHHQZ-IHWYPQMZSA-N 0 0 339.443 2.387 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000802172070 1237044812 /nfs/dbraw/zinc/04/48/12/1237044812.db2.gz AOVIOCXJIUKGLX-CQSZACIVSA-N 0 0 327.375 2.237 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)CCC[C@H]2CCOC2)cc1F ZINC000827071749 1249782210 /nfs/dbraw/zinc/78/22/10/1249782210.db2.gz IPZCVHMCCUXIKH-ZDUSSCGKSA-N 0 0 344.452 2.128 10 10 EECERN COc1ccc(N(C)[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc1 ZINC000852210065 1292040507 /nfs/dbraw/zinc/04/05/07/1292040507.db2.gz XHSANSGIHOLEHY-HNNXBMFYSA-N 0 0 334.416 2.074 10 10 EECERN Cc1cncc(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000852261918 1292070318 /nfs/dbraw/zinc/07/03/18/1292070318.db2.gz WEGQEADMXGQHJB-AWEZNQCLSA-N 0 0 327.432 2.454 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC[C@H]3C)C2)cc1 ZINC000852327095 1292093979 /nfs/dbraw/zinc/09/39/79/1292093979.db2.gz QSQFZWZMHNIWNB-OAGGEKHMSA-N 0 0 347.459 2.246 10 10 EECERN COCCCCN(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852448948 1292116717 /nfs/dbraw/zinc/11/67/17/1292116717.db2.gz OEKUQRXPYFIQMF-OAHLLOKOSA-N 0 0 335.448 2.342 10 10 EECERN COC[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000852469126 1292120675 /nfs/dbraw/zinc/12/06/75/1292120675.db2.gz YWZSYEVFHXVYQL-SFHVURJKSA-N 0 0 349.475 2.336 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@](CO)(OC)C2)cc1 ZINC000853457391 1292388846 /nfs/dbraw/zinc/38/88/46/1292388846.db2.gz SWHVTJFZLRZBSW-IBGZPJMESA-N 0 0 349.475 2.216 10 10 EECERN CC(=O)N1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000854131408 1292637882 /nfs/dbraw/zinc/63/78/82/1292637882.db2.gz UAAJLTYBZHPRRT-UHFFFAOYSA-N 0 0 339.439 2.327 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)[C@H]1CCOC1 ZINC000854276302 1292700549 /nfs/dbraw/zinc/70/05/49/1292700549.db2.gz LVKYYSRJVZNJFW-DOTOQJQBSA-N 0 0 336.432 2.365 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCCCO)C2)cc1 ZINC000854297406 1292708737 /nfs/dbraw/zinc/70/87/37/1292708737.db2.gz MKEVBYZRZPGKGG-CABCVRRESA-N 0 0 335.448 2.124 10 10 EECERN CCOC1(C)CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854298198 1292709054 /nfs/dbraw/zinc/70/90/54/1292709054.db2.gz XZSUOGBMSIFNGW-CQSZACIVSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H]3CCSC3)C2)cc1 ZINC000854299726 1292710934 /nfs/dbraw/zinc/71/09/34/1292710934.db2.gz KNWHGCZRMJWNPI-UKRRQHHQSA-N 0 0 335.473 2.421 10 10 EECERN CCOCCN(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301136 1292712415 /nfs/dbraw/zinc/71/24/15/1292712415.db2.gz JAOULJKPKOFDPR-OAHLLOKOSA-N 0 0 335.448 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC3(O)CCCCC3)C2)cc1 ZINC000854302077 1292712592 /nfs/dbraw/zinc/71/25/92/1292712592.db2.gz XRTSQMISWUIQNM-OAHLLOKOSA-N 0 0 347.459 2.268 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](OC)C3CCC3)C2)cc1 ZINC000854981649 1293020609 /nfs/dbraw/zinc/02/06/09/1293020609.db2.gz XZYLHMVUHYSEHY-KSSFIOAISA-N 0 0 332.444 2.453 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(OC)cnc3F)C2)cc1 ZINC000855222914 1293116335 /nfs/dbraw/zinc/11/63/35/1293116335.db2.gz CXTYABIUKJIRNQ-LBPRGKRZSA-N 0 0 345.374 2.247 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CCCC[C@@H]3O)C2)cc1 ZINC000855223619 1293116830 /nfs/dbraw/zinc/11/68/30/1293116830.db2.gz HAQMLGDBQLWABH-RKVPGOIHSA-N 0 0 332.444 2.331 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3SC)C2)cc1 ZINC000855227180 1293119878 /nfs/dbraw/zinc/11/98/78/1293119878.db2.gz WVQPIMVGTFPCST-GFCCVEGCSA-N 0 0 346.456 2.159 10 10 EECERN CC[C@H]([NH2+]CCC(=O)NCCC(=O)OC)c1cc(Cl)ccc1O ZINC000858541259 1294148809 /nfs/dbraw/zinc/14/88/09/1294148809.db2.gz IGEOGWQTTGVOQD-ZDUSSCGKSA-N 0 0 342.823 2.156 10 10 EECERN CC[C@H]([NH2+]CCC(=O)NCCC(=O)OC)c1cccc(Cl)c1[O-] ZINC000858542107 1294149349 /nfs/dbraw/zinc/14/93/49/1294149349.db2.gz RRODHNLNKVFSPY-ZDUSSCGKSA-N 0 0 342.823 2.156 10 10 EECERN CCCN(CC(F)(F)F)C(=O)COC(=O)C1=CC(=O)CS1 ZINC000859553061 1294487453 /nfs/dbraw/zinc/48/74/53/1294487453.db2.gz MWMVMQBMRPMNPW-UHFFFAOYSA-N 0 0 325.308 2.411 10 10 EECERN Cc1cc(CN2CCO[C@H](CC(N)=O)C2)ccc1N1CCCCC1 ZINC000860011211 1294750360 /nfs/dbraw/zinc/75/03/60/1294750360.db2.gz XZMFUMLHDCXECN-QGZVFWFLSA-N 0 0 331.460 2.062 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2Cc3cncn3C2)c1 ZINC000861891543 1295581470 /nfs/dbraw/zinc/58/14/70/1295581470.db2.gz CDUJHAWRCCZDLY-KRWDZBQOSA-N 0 0 348.406 2.458 10 10 EECERN Cc1noc(CCCC(=O)NCc2ccc3cccnc3c2O)n1 ZINC000862029143 1295663068 /nfs/dbraw/zinc/66/30/68/1295663068.db2.gz SDSCRCOBVYJZHI-UHFFFAOYSA-N 0 0 326.356 2.271 10 10 EECERN CC(=O)NC1CCC(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC001123808765 1310713625 /nfs/dbraw/zinc/71/36/25/1310713625.db2.gz LWTFCMBAUWRIDQ-UHFFFAOYSA-N 0 0 341.411 2.252 10 10 EECERN Cc1cc(C(=O)N2CCO[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000839927293 1315260323 /nfs/dbraw/zinc/26/03/23/1315260323.db2.gz WTUZFRRQYCNIBV-KSSFIOAISA-N 0 0 346.402 2.455 10 10 EECERN CCc1nnc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840484821 1315370174 /nfs/dbraw/zinc/37/01/74/1315370174.db2.gz PZEWAAKZDYGCTJ-CYBMUJFWSA-N 0 0 345.447 2.437 10 10 EECERN Cc1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c(O)c1O ZINC001142180139 1315509803 /nfs/dbraw/zinc/50/98/03/1315509803.db2.gz KBFVIVLMODLZDY-CYBMUJFWSA-N 0 0 332.400 2.023 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(F)cc1N ZINC001142690077 1315705331 /nfs/dbraw/zinc/70/53/31/1315705331.db2.gz HCFOOFROYCVEQU-UHFFFAOYSA-N 0 0 346.358 2.319 10 10 EECERN COc1cc(O)c(CN2CCO[C@@]3(CCSC3)C2)cc1OC ZINC000842620459 1315734522 /nfs/dbraw/zinc/73/45/22/1315734522.db2.gz OUQQJUGYITZBOR-INIZCTEOSA-N 0 0 325.430 2.117 10 10 EECERN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1[O-] ZINC000843415977 1315910912 /nfs/dbraw/zinc/91/09/12/1315910912.db2.gz NMOPJCGRWMOYAP-GFCCVEGCSA-N 0 0 349.778 2.430 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(O)=C(C)C(=O)OC(C)(C)C ZINC001157101542 1318402487 /nfs/dbraw/zinc/40/24/87/1318402487.db2.gz AVBDTVNQWCVQGR-LLVKDONJSA-N 0 0 328.405 2.472 10 10 EECERN O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1)c1ccccc1 ZINC001293916896 1328838945 /nfs/dbraw/zinc/83/89/45/1328838945.db2.gz HTKWZXQZKAKVBE-CYBMUJFWSA-N 0 0 330.409 2.488 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc2cc3c(cc2[nH]1)OCO3 ZINC001161372704 1320477978 /nfs/dbraw/zinc/47/79/78/1320477978.db2.gz FFIHVOVHFHCWEE-DUXPYHPUSA-N 0 0 339.307 2.355 10 10 EECERN CCc1n[nH]c(C(=O)NCc2ccc(O)cc2O)c1Br ZINC001162279243 1320804080 /nfs/dbraw/zinc/80/40/80/1320804080.db2.gz XAPWBSITSSEYPZ-UHFFFAOYSA-N 0 0 340.177 2.076 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(O)c1O ZINC001162539643 1320891944 /nfs/dbraw/zinc/89/19/44/1320891944.db2.gz JWPXVKFTVPHNLB-UHFFFAOYSA-N 0 0 345.351 2.009 10 10 EECERN Cn1cnc2ccc(C(=O)NCc3ccc4cccnc4c3O)nc21 ZINC001162612053 1320912325 /nfs/dbraw/zinc/91/23/25/1320912325.db2.gz BBUKXAFFRMNLOQ-UHFFFAOYSA-N 0 0 333.351 2.152 10 10 EECERN C[C@H](NC(=O)N1CC[C@@]12CCOC2)c1ccc(N2CCOCC2)cc1 ZINC001261392558 1322087889 /nfs/dbraw/zinc/08/78/89/1322087889.db2.gz IILCSAWXFQVRSP-KXBFYZLASA-N 0 0 345.443 2.159 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc2n[nH]nc21 ZINC001290374406 1328188569 /nfs/dbraw/zinc/18/85/69/1328188569.db2.gz JWEGFKSJXVSJJB-UHFFFAOYSA-N 0 0 336.399 2.225 10 10 EECERN COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)c(C)c1 ZINC001296806696 1329921751 /nfs/dbraw/zinc/92/17/51/1329921751.db2.gz RFKDFAINKGGFKR-GOSISDBHSA-N 0 0 343.379 2.288 10 10 EECERN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CC1(O)CC1 ZINC001304794764 1331397799 /nfs/dbraw/zinc/39/77/99/1331397799.db2.gz VDTUHSQGTNQZOI-UHFFFAOYSA-N 0 0 341.459 2.348 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC001324791481 1333760508 /nfs/dbraw/zinc/76/05/08/1333760508.db2.gz UJVCUKFFSRIISR-KNYPUDEUSA-N 0 0 332.356 2.132 10 10 EECERN COc1ccc(N2CC[C@H](Nc3c(C)cncc3[N+](=O)[O-])C2)cc1 ZINC001327714445 1334338428 /nfs/dbraw/zinc/33/84/28/1334338428.db2.gz MWDKJEQCSMNXKL-ZDUSSCGKSA-N 0 0 328.372 2.420 10 10 EECERN CC(C)(CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC001335797557 1336428778 /nfs/dbraw/zinc/42/87/78/1336428778.db2.gz FTJBRULYHHFEPB-UHFFFAOYSA-N 0 0 341.455 2.231 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@@](C)(C(=O)[O-])C2)cc1F ZINC001350668643 1337735267 /nfs/dbraw/zinc/73/52/67/1337735267.db2.gz TYDGQECVHAJLPN-BDJLRTHQSA-N 0 0 328.359 2.143 10 10 EECERN CN(C)c1ccc(CN2CCn3nncc3C2)c(C(F)(F)F)c1 ZINC000848921620 1338807235 /nfs/dbraw/zinc/80/72/35/1338807235.db2.gz CZRAMYSRFQKZDS-UHFFFAOYSA-N 0 0 325.338 2.379 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC001616487791 1352329345 /nfs/dbraw/zinc/32/93/45/1352329345.db2.gz HULKQBNLWNUGRH-KGLIPLIRSA-N 0 0 337.441 2.153 10 10 EECERN CCOC(=O)[C@@]1(NC(=O)c2cccc(O)c2O)CCc2ccccc21 ZINC001617865595 1352345913 /nfs/dbraw/zinc/34/59/13/1352345913.db2.gz YHYFCSCPJYVPFD-LJQANCHMSA-N 0 0 341.363 2.232 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCc2ncnn2-c2ccccc2)cc1 ZINC001618598357 1352351618 /nfs/dbraw/zinc/35/16/18/1352351618.db2.gz UGIJDVJFPOOSDI-UHFFFAOYSA-N 0 0 349.354 2.360 10 10 EECERN Cn1cc(C(=O)NCc2cccc(Br)c2O)c(Cl)n1 ZINC001556481318 1342428834 /nfs/dbraw/zinc/42/88/34/1342428834.db2.gz QLBKJLGZMXJMRI-UHFFFAOYSA-N 0 0 344.596 2.472 10 10 EECERN COc1ccc(CNC(=O)NCc2ccc3oc(=O)[nH]c3c2)c(O)c1 ZINC001565307123 1342553893 /nfs/dbraw/zinc/55/38/93/1342553893.db2.gz GEVVMZNPGPHJNQ-UHFFFAOYSA-N 0 0 343.339 2.247 10 10 EECERN O=C(NCc1ccccc1O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001595793349 1349895520 /nfs/dbraw/zinc/89/55/20/1349895520.db2.gz USGWRULEVMLYKF-UHFFFAOYSA-N 0 0 348.380 2.315 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1CSC(c2ccccc2O)=N1 ZINC001596913411 1349913459 /nfs/dbraw/zinc/91/34/59/1349913459.db2.gz XIIKLYRFDQRJLO-ZDUSSCGKSA-N 0 0 346.383 2.415 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cc(C(F)(F)F)c[nH]c1=O ZINC001622664198 1352387307 /nfs/dbraw/zinc/38/73/07/1352387307.db2.gz LCYINQGTXMKLRP-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCOc2c(F)cccc21 ZINC001622753492 1352388777 /nfs/dbraw/zinc/38/87/77/1352388777.db2.gz YIACUFBOTGMLPU-ZDUSSCGKSA-N 0 0 331.343 2.462 10 10 EECERN COc1nsc(OC)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001623386594 1352396253 /nfs/dbraw/zinc/39/62/53/1352396253.db2.gz HSTNSYBWJDKSMB-UHFFFAOYSA-N 0 0 335.429 2.499 10 10 EECERN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC001625667053 1352454450 /nfs/dbraw/zinc/45/44/50/1352454450.db2.gz WDVRKPNUMFMSDV-AWEZNQCLSA-N 0 0 329.352 2.002 10 10 EECERN CCOc1ccc(N2CCN(C(=O)Cn3nc(C)cc3C)CC2)cc1 ZINC001630992760 1352575640 /nfs/dbraw/zinc/57/56/40/1352575640.db2.gz VYMDKEVQTTYLDN-UHFFFAOYSA-N 0 0 342.443 2.247 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NN2CCc3ccccc3C2=O)cc1 ZINC001632530661 1352598452 /nfs/dbraw/zinc/59/84/52/1352598452.db2.gz OJWSGBULPTUZTK-UHFFFAOYSA-N 0 0 337.339 2.192 10 10 EECERN COCCO[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001634970524 1352637366 /nfs/dbraw/zinc/63/73/66/1352637366.db2.gz KMCJVGWXXOJFHW-CQSZACIVSA-N 0 0 334.376 2.117 10 10 EECERN CN(Cc1nc2ncc(Br)cn2n1)Cc1ccccc1O ZINC001644813215 1352769745 /nfs/dbraw/zinc/76/97/45/1352769745.db2.gz HATZLCQPLHJDCB-UHFFFAOYSA-N 0 0 348.204 2.224 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001645363528 1352777335 /nfs/dbraw/zinc/77/73/35/1352777335.db2.gz YYEOWAYRCFCZBY-JOCQHMNTSA-N 0 0 342.399 2.175 10 10 EECERN O=C(NCc1cccc(O)c1O)c1cccnc1OCC(F)(F)F ZINC001651172897 1354042342 /nfs/dbraw/zinc/04/23/42/1354042342.db2.gz KCSADVAOLUCYEG-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN O=C(Cn1nnc(-c2ccccc2)n1)NCc1cccc(Cl)c1O ZINC001653563992 1354127588 /nfs/dbraw/zinc/12/75/88/1354127588.db2.gz VWVVBCDICYKGOK-UHFFFAOYSA-N 0 0 343.774 2.016 10 10 EECERN CCCCOC(=O)[C@H](C)N(CC(=O)OCC)Cc1ccccc1O ZINC001653969763 1354137042 /nfs/dbraw/zinc/13/70/42/1354137042.db2.gz IWTOTNWHPKRHTP-AWEZNQCLSA-N 0 0 337.416 2.489 10 10 EECERN Cc1cc(CN[C@@H](C)CNC(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001662429448 1354795972 /nfs/dbraw/zinc/79/59/72/1354795972.db2.gz KIKFMHZTGPOIFU-JTQLQIEISA-N 0 0 344.375 2.054 10 10 EECERN Cc1ccc2nc(CNC(=O)NCc3c(O)cccc3F)cn2c1 ZINC001681774941 1358068760 /nfs/dbraw/zinc/06/87/60/1358068760.db2.gz UBCZEQGPKADDBO-UHFFFAOYSA-N 0 0 328.347 2.487 10 10 EECERN COc1ccc(N2CCN(c3nc(C4CCOCC4)no3)CC2)cc1 ZINC000840233452 782447002 /nfs/dbraw/zinc/44/70/02/782447002.db2.gz GDBPFHXIKRSLEN-UHFFFAOYSA-N 0 0 344.415 2.299 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3cn4c(n3)CCC4)CC2)cc1 ZINC000843542996 757100211 /nfs/dbraw/zinc/10/02/11/757100211.db2.gz XEVISRKEPIWARC-UHFFFAOYSA-N 0 0 340.427 2.237 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000588404995 759556980 /nfs/dbraw/zinc/55/69/80/759556980.db2.gz DGSOZFSLZRYLTF-SOIVGHGOSA-N 0 0 338.363 2.033 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@@H](c2ncccn2)C2CC2)c1 ZINC000918745591 769365453 /nfs/dbraw/zinc/36/54/53/769365453.db2.gz ORGSICQLRZHFOX-OAHLLOKOSA-N 0 0 328.372 2.141 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1OC ZINC000067984688 774079670 /nfs/dbraw/zinc/07/96/70/774079670.db2.gz KSNINFAXUZIDGZ-JKSUJKDBSA-N 0 0 348.443 2.310 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000785423778 783660864 /nfs/dbraw/zinc/66/08/64/783660864.db2.gz BQISBFMDYQNSIF-UHFFFAOYSA-N 0 0 343.402 2.167 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1(O)CCOCC1 ZINC000906345573 783852956 /nfs/dbraw/zinc/85/29/56/783852956.db2.gz PQQSLGSVEUXPHX-UHFFFAOYSA-N 0 0 334.460 2.421 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H](C)[C@H]3CCCO3)CC2)cc1F ZINC000906949522 784291731 /nfs/dbraw/zinc/29/17/31/784291731.db2.gz HRKMDYYFIPBQAI-CZUORRHYSA-N 0 0 336.407 2.298 10 10 EECERN O=C(CN1C(=O)Cc2ccccc21)NCc1ccc(N2CCCC2)cc1 ZINC000816867733 784306018 /nfs/dbraw/zinc/30/60/18/784306018.db2.gz XATPSABANRZHIV-UHFFFAOYSA-N 0 0 349.434 2.492 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)c1 ZINC000907061114 784359125 /nfs/dbraw/zinc/35/91/25/784359125.db2.gz RIKWYBUFLMYCDY-GFCCVEGCSA-N 0 0 340.379 2.062 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)C3CCC(=O)CC3)C2)cc1 ZINC000819584543 785595010 /nfs/dbraw/zinc/59/50/10/785595010.db2.gz LNGXRJPREGVKGX-AWEZNQCLSA-N 0 0 330.428 2.397 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)/C=C\[C@H]3CCCO3)C2)cc1 ZINC000819586486 785595915 /nfs/dbraw/zinc/59/59/15/785595915.db2.gz ABZGZKXTSJYXBC-KDZRNFMESA-N 0 0 330.428 2.373 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C)nn1CC ZINC000819696065 785643970 /nfs/dbraw/zinc/64/39/70/785643970.db2.gz KJJROPGJWOIXRL-UHFFFAOYSA-N 0 0 345.399 2.123 10 10 EECERN CN(CCCNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1F ZINC001136349203 785958450 /nfs/dbraw/zinc/95/84/50/785958450.db2.gz LXWDWRNCLFCTCR-UHFFFAOYSA-N 0 0 332.375 2.422 10 10 EECERN CC[C@@H](O)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000822884205 787432612 /nfs/dbraw/zinc/43/26/12/787432612.db2.gz ZTYXLFQULUQJDM-QZTJIDSGSA-N 0 0 334.460 2.421 10 10 EECERN C[NH+](C)CC1(C(=O)N(CC(=O)[O-])Cc2ccccc2O)CCCCC1 ZINC000911487698 787484313 /nfs/dbraw/zinc/48/43/13/787484313.db2.gz GZDZYCLPRCGNPN-UHFFFAOYSA-N 0 0 348.443 2.318 10 10 EECERN Cc1c(C(=O)NCCCSc2nccs2)nn2c1OCCC2 ZINC000823298350 787686356 /nfs/dbraw/zinc/68/63/56/787686356.db2.gz QBEKUWLFAJWBQH-UHFFFAOYSA-N 0 0 338.458 2.343 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)c3cn[nH]c3)C2)cc1 ZINC000823415317 787718392 /nfs/dbraw/zinc/71/83/92/787718392.db2.gz JIIBHEDINFFPFA-KGLIPLIRSA-N 0 0 343.431 2.305 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3COCC3(C)C)C2)cc1 ZINC000823680203 787886291 /nfs/dbraw/zinc/88/62/91/787886291.db2.gz HPYXYEMLYFTJEB-WMLDXEAASA-N 0 0 347.459 2.246 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(C(C)(C)C)n1 ZINC000824234782 788094463 /nfs/dbraw/zinc/09/44/63/788094463.db2.gz RFYCFOBLOMVKDP-UHFFFAOYSA-N 0 0 330.436 2.156 10 10 EECERN COc1cc(C)cc(CN2CCn3c(nnc3C(F)(F)F)C2)c1O ZINC000164399389 789161599 /nfs/dbraw/zinc/16/15/99/789161599.db2.gz BXLSULQQEUCQBJ-UHFFFAOYSA-N 0 0 342.321 2.335 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCc3n[nH]cc32)cc1 ZINC000846441710 790183695 /nfs/dbraw/zinc/18/36/95/790183695.db2.gz DEWFVRZHQTUJDM-INIZCTEOSA-N 0 0 342.443 2.433 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3CCC(=O)[C@H](C)C3)CC2)cc1 ZINC000916225079 797557305 /nfs/dbraw/zinc/55/73/05/797557305.db2.gz CLLRHJMCLHTCNZ-CQSZACIVSA-N 0 0 345.443 2.285 10 10 EECERN O=S(=O)(NCc1cc(Cl)ccc1O)c1ccnn1C1CCC1 ZINC000916704813 797863781 /nfs/dbraw/zinc/86/37/81/797863781.db2.gz RJJXUYQNTZFXGF-UHFFFAOYSA-N 0 0 341.820 2.446 10 10 EECERN Cc1cc(OCC(=O)NCc2c(O)cccc2O)ccc1[N+](=O)[O-] ZINC001178910368 799695890 /nfs/dbraw/zinc/69/58/90/799695890.db2.gz DCWVAVVPYZQZAK-UHFFFAOYSA-N 0 0 332.312 2.010 10 10 EECERN Cc1noc(C)c1CC(=O)N1CCOc2ccc(N(C)C)cc2C1 ZINC000575541651 801758063 /nfs/dbraw/zinc/75/80/63/801758063.db2.gz UCNDWFAQNJNBTL-UHFFFAOYSA-N 0 0 329.400 2.321 10 10 EECERN Cc1cc(C(=O)CN2CCNC(=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000103470753 804221543 /nfs/dbraw/zinc/22/15/43/804221543.db2.gz INCMIKFWZOZYOT-UHFFFAOYSA-N 0 0 343.402 2.238 10 10 EECERN COc1ccc(CNC(=O)NC[C@@H]2COc3ccccc3O2)c(O)c1 ZINC000792764127 809986848 /nfs/dbraw/zinc/98/68/48/809986848.db2.gz SQUUDWURLJPBOQ-CQSZACIVSA-N 0 0 344.367 2.040 10 10 EECERN COC[C@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000805071337 811133844 /nfs/dbraw/zinc/13/38/44/811133844.db2.gz UGXCQGZOTPNSKA-SECBINFHSA-N 0 0 331.210 2.236 10 10 EECERN Cc1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000807674418 812302032 /nfs/dbraw/zinc/30/20/32/812302032.db2.gz KOCNIHJBETUKJQ-CQSZACIVSA-N 0 0 343.427 2.490 10 10 EECERN CC(=O)C(=O)CSc1nnc(-c2cc(Cl)ccc2Cl)n1N ZINC000808016265 812420386 /nfs/dbraw/zinc/42/03/86/812420386.db2.gz YGVPWUDKQZTIJX-UHFFFAOYSA-N 0 0 345.211 2.216 10 10 EECERN CC(=O)N1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000808268760 812566574 /nfs/dbraw/zinc/56/65/74/812566574.db2.gz YYBVSUNLCLELRK-INIZCTEOSA-N 0 0 340.427 2.087 10 10 EECERN CC(=O)C(=O)COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000808493069 812663912 /nfs/dbraw/zinc/66/39/12/812663912.db2.gz QKDIFMMJZSALFF-UHFFFAOYSA-N 0 0 325.386 2.356 10 10 EECERN CC(=O)C(=O)COC(=O)CN(Cc1ccccc1)c1ccccc1 ZINC000808531850 812703373 /nfs/dbraw/zinc/70/33/73/812703373.db2.gz YWFRODQNPCEVDZ-UHFFFAOYSA-N 0 0 325.364 2.395 10 10 EECERN CN1CCCc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3N)ccc21 ZINC001442386868 1096708590 /nfs/dbraw/zinc/70/85/90/1096708590.db2.gz NACATCSPHXKUAK-UHFFFAOYSA-N 0 0 340.383 2.489 10 10 EECERN CC1(C)OC[C@H](/C=C/C(=O)NCCCSc2nccs2)O1 ZINC001443488692 1097985483 /nfs/dbraw/zinc/98/54/83/1097985483.db2.gz KFPMDMNEVIFXPT-ZWNMCFTASA-N 0 0 328.459 2.449 10 10 EECERN COCCCOc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001446602024 1101097677 /nfs/dbraw/zinc/09/76/77/1101097677.db2.gz QGLAVCNIPYBVBC-UHFFFAOYSA-N 0 0 345.395 2.372 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCCC23OCCO3)cc1 ZINC001546065164 1107615977 /nfs/dbraw/zinc/61/59/77/1107615977.db2.gz GQGUOCCXFYSGMN-ZDUSSCGKSA-N 0 0 332.360 2.265 10 10 EECERN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001456897655 1109357099 /nfs/dbraw/zinc/35/70/99/1109357099.db2.gz KBAQBPZVTPFHJX-MFKMUULPSA-N 0 0 332.360 2.311 10 10 EECERN COC(=O)[C@H](C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001465725733 1110422941 /nfs/dbraw/zinc/42/29/41/1110422941.db2.gz APCTUAATUYQTNW-KZULUSFZSA-N 0 0 343.379 2.307 10 10 EECERN COC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001469097009 1110485198 /nfs/dbraw/zinc/48/51/98/1110485198.db2.gz NVOSKZVGDULYSD-INIZCTEOSA-N 0 0 332.360 2.264 10 10 EECERN Cn1ncc2cc(C(=O)NCc3ccc4cccnc4c3O)cnc21 ZINC001469247656 1110487861 /nfs/dbraw/zinc/48/78/61/1110487861.db2.gz DIMHFLNNPAXMDB-UHFFFAOYSA-N 0 0 333.351 2.152 10 10 EECERN O=Cc1ccc(OCC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001469251514 1110487895 /nfs/dbraw/zinc/48/78/95/1110487895.db2.gz XQBAFVJRTCXNHH-UHFFFAOYSA-N 0 0 336.347 2.448 10 10 EECERN COC(=O)C12CCC(CC1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001471125041 1110517817 /nfs/dbraw/zinc/51/78/17/1110517817.db2.gz QAJRIIXVSAOLPW-UHFFFAOYSA-N 0 0 330.344 2.159 10 10 EECERN CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCc1c(O)cccc1O ZINC001472063990 1110540879 /nfs/dbraw/zinc/54/08/79/1110540879.db2.gz RLGZUZJBBFCGIC-UHFFFAOYSA-N 0 0 338.404 2.265 10 10 EECERN C[C@H](CC(=O)OCc1ccccc1)NC(=O)c1c(F)ccc(O)c1O ZINC001472531829 1110558184 /nfs/dbraw/zinc/55/81/84/1110558184.db2.gz XTTLOXTYOCTBHG-LLVKDONJSA-N 0 0 347.342 2.489 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001508929635 1115685144 /nfs/dbraw/zinc/68/51/44/1115685144.db2.gz USOMSBKBNWDDKW-UHIISALHSA-N 0 0 345.403 2.082 10 10 EECERN COc1ccc(N2CCN(C(=O)C3(CC(C)=O)CCC3)CC2)cc1 ZINC001545556479 1124195496 /nfs/dbraw/zinc/19/54/96/1124195496.db2.gz LRHBZNLAVIVYSB-UHFFFAOYSA-N 0 0 330.428 2.493 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@H]3CCc4[nH]cnc4C3)ccc21 ZINC000378100453 530065833 /nfs/dbraw/zinc/06/58/33/530065833.db2.gz PGTFPHZGOODHQB-HNNXBMFYSA-N 0 0 339.443 2.149 10 10 EECERN COc1ccc(N2CCN(C(=O)COc3ccc(C)nc3)CC2)cc1 ZINC000063863704 462679404 /nfs/dbraw/zinc/67/94/04/462679404.db2.gz JNKWVDRFHQYTPV-UHFFFAOYSA-N 0 0 341.411 2.126 10 10 EECERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc2c(c1)OCO2 ZINC000121332633 463118421 /nfs/dbraw/zinc/11/84/21/463118421.db2.gz AWHSNJGAWATBFR-LSDHHAIUSA-N 0 0 332.400 2.022 10 10 EECERN O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cccnn2)CC1 ZINC000553225523 468355653 /nfs/dbraw/zinc/35/56/53/468355653.db2.gz XBNAKGLBBSQBLU-UHFFFAOYSA-N 0 0 334.379 2.299 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCNC(=O)CC1 ZINC000126017496 463598136 /nfs/dbraw/zinc/59/81/36/463598136.db2.gz YNIQDTYZAXGTSB-UHFFFAOYSA-N 0 0 325.412 2.365 10 10 EECERN COc1c(O)c(CN2CCOC[C@H]2CC(F)F)ccc1[N+](=O)[O-] ZINC000289783425 464094642 /nfs/dbraw/zinc/09/46/42/464094642.db2.gz RSNRXIILXIIPFO-SNVBAGLBSA-N 0 0 332.303 2.165 10 10 EECERN COc1cc(O)c(CN(C)Cc2nc([C@H](C)OC)no2)cc1OC ZINC000271083120 464278862 /nfs/dbraw/zinc/27/88/62/464278862.db2.gz JQJKCWMVLXZDJZ-JTQLQIEISA-N 0 0 337.376 2.132 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cccn(C)c2=O)cc1F ZINC000264495748 464349798 /nfs/dbraw/zinc/34/97/98/464349798.db2.gz GNMFFXXKMCOACL-UHFFFAOYSA-N 0 0 331.391 2.301 10 10 EECERN O=C(/C=C/c1ccncn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000182044844 464559865 /nfs/dbraw/zinc/55/98/65/464559865.db2.gz IUDQEGJFMTUYIB-OZSKJFCKSA-N 0 0 339.395 2.403 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000367907141 466554084 /nfs/dbraw/zinc/55/40/84/466554084.db2.gz OSUHNGAQBJOYLK-OAHLLOKOSA-N 0 0 337.427 2.143 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C1(N2CCOCC2)CCC1 ZINC000364687202 466711503 /nfs/dbraw/zinc/71/15/03/466711503.db2.gz SOGUKJKZCKETFA-UHFFFAOYSA-N 0 0 343.471 2.158 10 10 EECERN COC1(c2ccccc2)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000376293677 466904070 /nfs/dbraw/zinc/90/40/70/466904070.db2.gz MWSKKECISGSLJG-CSKARUKUSA-N 0 0 325.364 2.495 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000377094620 467025348 /nfs/dbraw/zinc/02/53/48/467025348.db2.gz WOFYDPGTEBHQTB-MASHWEEQSA-N 0 0 332.356 2.254 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3CCCOCC3)CC2)cc1F ZINC000377463845 467063153 /nfs/dbraw/zinc/06/31/53/467063153.db2.gz LDZZKMKKEOIPCO-CQSZACIVSA-N 0 0 336.407 2.300 10 10 EECERN COc1cc(CC(=O)N2CCOc3cc(N(C)C)ccc32)ccn1 ZINC000611652748 469298275 /nfs/dbraw/zinc/29/82/75/469298275.db2.gz ZFYAXKSXHBDBPX-UHFFFAOYSA-N 0 0 327.384 2.124 10 10 EECERN CNC(=O)C1(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000729966021 576698380 /nfs/dbraw/zinc/69/83/80/576698380.db2.gz QTIOKUFAYISXKZ-UHFFFAOYSA-N 0 0 339.439 2.279 10 10 EECERN COC(=O)NCCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000730769885 577054270 /nfs/dbraw/zinc/05/42/70/577054270.db2.gz NBBJHOFHXJUNRW-UHFFFAOYSA-N 0 0 343.427 2.499 10 10 EECERN Cn1ccc([C@H]2NC(=O)N(c3cc(Cl)c(N)c(Cl)c3)C2=O)n1 ZINC000772126111 577252963 /nfs/dbraw/zinc/25/29/63/577252963.db2.gz ROHVIEHBNUGQOK-LLVKDONJSA-N 0 0 340.170 2.107 10 10 EECERN CC(=O)Nc1cccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000773761588 577363422 /nfs/dbraw/zinc/36/34/22/577363422.db2.gz IHJOMOADKFJPOR-LLVKDONJSA-N 0 0 328.368 2.417 10 10 EECERN C[C@H](CCNC(=O)NCc1ccc(N2CCCC2)cc1)[S@@](C)=O ZINC000765679290 577504994 /nfs/dbraw/zinc/50/49/94/577504994.db2.gz QRJPTZSUROJUKW-QKFKETGDSA-N 0 0 337.489 2.243 10 10 EECERN Cc1cnc(N)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000766758494 577524339 /nfs/dbraw/zinc/52/43/39/577524339.db2.gz IEYFTHFNJZBDGS-UHFFFAOYSA-N 0 0 346.456 2.051 10 10 EECERN C[C@@H]1COCC[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000763197461 577716461 /nfs/dbraw/zinc/71/64/61/577716461.db2.gz UTMRKWROYLHKRC-PBHICJAKSA-N 0 0 349.500 2.464 10 10 EECERN COCCOc1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000748461296 577962223 /nfs/dbraw/zinc/96/22/23/577962223.db2.gz VFLKLYXLXBTZGL-UHFFFAOYSA-N 0 0 330.384 2.417 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(C(N)=O)cc1 ZINC000120557856 678717679 /nfs/dbraw/zinc/71/76/79/678717679.db2.gz ZUCRSKGPGYXOLC-UHFFFAOYSA-N 0 0 348.362 2.279 10 10 EECERN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841138058 681231132 /nfs/dbraw/zinc/23/11/32/681231132.db2.gz QWVDUNFUALNKEY-ZJUUUORDSA-N 0 0 329.322 2.397 10 10 EECERN C[C@]1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCCO1 ZINC000914336207 683512004 /nfs/dbraw/zinc/51/20/04/683512004.db2.gz ZGQGWFCDXZDPPT-LJQANCHMSA-N 0 0 347.459 2.282 10 10 EECERN O=C(N[C@@H](CCO)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000899782267 693862499 /nfs/dbraw/zinc/86/24/99/693862499.db2.gz KSDHMNCZUJQPIC-NSHDSACASA-N 0 0 335.303 2.356 10 10 EECERN COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(OC)c1O ZINC000895861662 684744873 /nfs/dbraw/zinc/74/48/73/684744873.db2.gz GKBKAYARIONXIX-CHWSQXEVSA-N 0 0 343.807 2.255 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](C(F)F)C1 ZINC000194074595 684902996 /nfs/dbraw/zinc/90/29/96/684902996.db2.gz NZSPYOSDZKEMRD-OAHLLOKOSA-N 0 0 339.386 2.462 10 10 EECERN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H](C)c3ccccc3O)[C@@H]2C1 ZINC000897744383 691777883 /nfs/dbraw/zinc/77/78/83/691777883.db2.gz ZRCMFGRYYNWHAR-PRSHDEELSA-N 0 0 332.400 2.340 10 10 EECERN CC1(C)CO[C@@H](CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000898983890 693557550 /nfs/dbraw/zinc/55/75/50/693557550.db2.gz ZTGYUFMGZFJPIK-SFHVURJKSA-N 0 0 346.471 2.469 10 10 EECERN Cn1nccc1C1=CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841959264 1188208822 /nfs/dbraw/zinc/20/88/22/1188208822.db2.gz LUTVYRNLQXXPBU-UHFFFAOYSA-N 0 0 325.416 2.044 10 10 EECERN COCCn1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C ZINC000864633735 1197854823 /nfs/dbraw/zinc/85/48/23/1197854823.db2.gz KAJVSBCMHOHQGT-UHFFFAOYSA-N 0 0 330.432 2.176 10 10 EECERN Cc1cc(CCNC(=O)[C@H](O)c2c[nH]cn2)c(C)n1-c1ccccc1 ZINC000864645061 1197863350 /nfs/dbraw/zinc/86/33/50/1197863350.db2.gz SHCVZXXIJVNSEZ-GOSISDBHSA-N 0 0 338.411 2.210 10 10 EECERN Cc1cc(C(=O)CN2C(=O)O[C@H](C)C2=O)c(C)n1-c1ccc(F)cn1 ZINC000871781018 1197899254 /nfs/dbraw/zinc/89/92/54/1197899254.db2.gz LPOOYPYYKHLDBC-LLVKDONJSA-N 0 0 345.330 2.178 10 10 EECERN COC(=O)c1cc(OCC(=O)NCc2cccs2)ccc1N(C)C ZINC000865396276 1198195739 /nfs/dbraw/zinc/19/57/39/1198195739.db2.gz NPZKOHVUGXVLRB-UHFFFAOYSA-N 0 0 348.424 2.296 10 10 EECERN CC(C)N(C[C@@H](C)O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000120783258 1198406754 /nfs/dbraw/zinc/40/67/54/1198406754.db2.gz JUKZNJJRRQXXOV-HZPDHXFCSA-N 0 0 349.475 2.385 10 10 EECERN NC(=O)c1ncccc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813685682 1199143691 /nfs/dbraw/zinc/14/36/91/1199143691.db2.gz OESHDACBZJPEHE-UHFFFAOYSA-N 0 0 340.166 2.123 10 10 EECERN C[C@@H]1C[C@@H](C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000869655064 1200202245 /nfs/dbraw/zinc/20/22/45/1200202245.db2.gz VTYYAYGDXJWYHD-CKEIUWERSA-N 0 0 348.443 2.068 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)O[C@@H]3C)CC2)c(OC)c1 ZINC000870166693 1200530999 /nfs/dbraw/zinc/53/09/99/1200530999.db2.gz TUMGFLMSROEMSE-SQWLQELKSA-N 0 0 348.443 2.166 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]nc2[C@@H]2CCCO2)c1 ZINC000866762977 1201600449 /nfs/dbraw/zinc/60/04/49/1201600449.db2.gz BJFFFDBYOYJSBU-BONVTDFDSA-N 0 0 331.372 2.466 10 10 EECERN CC(C)C(=O)N1CCC(NC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868028640 1201730094 /nfs/dbraw/zinc/73/00/94/1201730094.db2.gz HQAJLNVPWXAVGC-CYBMUJFWSA-N 0 0 333.432 2.399 10 10 EECERN Cc1cc(N)cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000868233986 1201772330 /nfs/dbraw/zinc/77/23/30/1201772330.db2.gz JCDQXBHHJDODEB-CYBMUJFWSA-N 0 0 340.427 2.459 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COCc1ncc(C)o1 ZINC001297562587 1205762037 /nfs/dbraw/zinc/76/20/37/1205762037.db2.gz NKMYTLPROPDNQK-UHFFFAOYSA-N 0 0 325.361 2.007 10 10 EECERN Nc1ccc(CCNC(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)cc1 ZINC000926215355 1206204792 /nfs/dbraw/zinc/20/47/92/1206204792.db2.gz QRHGWAJUTTYVOI-WCQYABFASA-N 0 0 331.338 2.078 10 10 EECERN COC(=O)c1cn(CN(C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000042081498 1208297762 /nfs/dbraw/zinc/29/77/62/1208297762.db2.gz NTLGZYMLASLCQV-UHFFFAOYSA-N 0 0 343.431 2.145 10 10 EECERN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cn(C)nn2)c1O ZINC000779048994 1208476456 /nfs/dbraw/zinc/47/64/56/1208476456.db2.gz FLAIXWUATOCQTH-VIFPVBQESA-N 0 0 325.210 2.442 10 10 EECERN COc1ccc(F)c(NC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC000088771078 1212423102 /nfs/dbraw/zinc/42/31/02/1212423102.db2.gz JMESNRBGCHHKKS-UHFFFAOYSA-N 0 0 332.331 2.137 10 10 EECERN CCC/C=C\[C@H](O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000900386786 1234301249 /nfs/dbraw/zinc/30/12/49/1234301249.db2.gz GPRNBPXDVBYMLH-XSRQRWQSSA-N 0 0 332.444 2.418 10 10 EECERN CCC/C=C/[C@H](O)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000900755469 1234763106 /nfs/dbraw/zinc/76/31/06/1234763106.db2.gz OOTOGGKLRFUFLR-PXPVJAHISA-N 0 0 346.471 2.229 10 10 EECERN Cc1cc(COCC(=O)NCc2ccc(N3CCCC3)cc2)on1 ZINC000801133093 1235114301 /nfs/dbraw/zinc/11/43/01/1235114301.db2.gz JXPYKNIABFTVLF-UHFFFAOYSA-N 0 0 329.400 2.416 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3cccc(N)c3)C2)cc1 ZINC000851639102 1277696698 /nfs/dbraw/zinc/69/66/98/1277696698.db2.gz BBTPDXRSYNJLQJ-MRXNPFEDSA-N 0 0 325.412 2.215 10 10 EECERN COC[C@@H](C)OC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000867383669 1289355834 /nfs/dbraw/zinc/35/58/34/1289355834.db2.gz ZUOFKHZASJACNK-LLVKDONJSA-N 0 0 344.358 2.063 10 10 EECERN C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc(O)cc1O ZINC000867417387 1289841196 /nfs/dbraw/zinc/84/11/96/1289841196.db2.gz TWNSXMVJSCUGNB-MRVPVSSYSA-N 0 0 327.324 2.106 10 10 EECERN COc1cc(N(C)C[C@H](OC)[C@@H]2CCOC2)cc(OC)c1OC ZINC000851784892 1291831672 /nfs/dbraw/zinc/83/16/72/1291831672.db2.gz WMAIRGBPIOPXFZ-WBMJQRKESA-N 0 0 325.405 2.200 10 10 EECERN COC[C@@H](CCNC(=O)NCc1ccc(N2CCCC2)cc1)OC ZINC000851986694 1291943471 /nfs/dbraw/zinc/94/34/71/1291943471.db2.gz FFKZLAXQNKYTSA-QGZVFWFLSA-N 0 0 335.448 2.138 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C(=O)c3ccc(F)cc3)C2)cc1 ZINC000853818832 1292469978 /nfs/dbraw/zinc/46/99/78/1292469978.db2.gz ZQMLNGZSHSHAOW-HNNXBMFYSA-N 0 0 342.370 2.412 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@]34C[C@H]3COC4(C)C)CC2)cc1 ZINC000854198292 1292669003 /nfs/dbraw/zinc/66/90/03/1292669003.db2.gz GUJPPQQAJXCWIH-LIRRHRJNSA-N 0 0 330.428 2.159 10 10 EECERN CCN(CC(C)(C)O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854298702 1292710589 /nfs/dbraw/zinc/71/05/89/1292710589.db2.gz ABVLOXSZZVHYRJ-CQSZACIVSA-N 0 0 335.448 2.076 10 10 EECERN COc1ccc2ncc(C(=O)N(C)Cc3ccc(N(C)C)cc3)n2n1 ZINC000854325071 1292725656 /nfs/dbraw/zinc/72/56/56/1292725656.db2.gz XJPIBEDHUULLQE-UHFFFAOYSA-N 0 0 339.399 2.076 10 10 EECERN Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)O3)c(C)n1-c1ccccc1 ZINC000854373513 1292753717 /nfs/dbraw/zinc/75/37/17/1292753717.db2.gz HRYPNNSZXSLYDN-KDURUIRLSA-N 0 0 340.423 2.263 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](OC)C1CCC1 ZINC000854987264 1293023253 /nfs/dbraw/zinc/02/32/53/1293023253.db2.gz AQGJIBYDGOFHEN-KRWDZBQOSA-N 0 0 335.400 2.099 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](OC)C1CCCC1 ZINC000854987702 1293023397 /nfs/dbraw/zinc/02/33/97/1293023397.db2.gz JDXKVFMKXOZFDS-GOSISDBHSA-N 0 0 349.427 2.489 10 10 EECERN CO[C@@](C)(CO)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000855046186 1293052196 /nfs/dbraw/zinc/05/21/96/1293052196.db2.gz WIXRPZDPNFNMLT-LJQANCHMSA-N 0 0 330.428 2.150 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)[nH]c3=O)C2)cc1 ZINC000855230486 1293120843 /nfs/dbraw/zinc/12/08/43/1293120843.db2.gz DOPKTXMDHKYLCS-CYBMUJFWSA-N 0 0 327.384 2.113 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC34CCOCC4)C2)cc1 ZINC000855231680 1293121772 /nfs/dbraw/zinc/12/17/72/1293121772.db2.gz NGCLKVYINDVOQD-WMLDXEAASA-N 0 0 330.428 2.207 10 10 EECERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c(O)c1O ZINC000855870521 1293349631 /nfs/dbraw/zinc/34/96/31/1293349631.db2.gz NXUIWHDSTNTPLW-UKRRQHHQSA-N 0 0 329.400 2.281 10 10 EECERN CCn1cc(-c2n[nH]cc2C(=O)N2CCc3nc(F)ccc32)cn1 ZINC000857893488 1293944507 /nfs/dbraw/zinc/94/45/07/1293944507.db2.gz FVRJYIHIOQHFOI-UHFFFAOYSA-N 0 0 326.335 2.030 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000859277102 1294371760 /nfs/dbraw/zinc/37/17/60/1294371760.db2.gz PATQKBOGUZIPKT-IXDOHACOSA-N 0 0 343.471 2.263 10 10 EECERN COc1ccc(CNC(=O)[C@@H]2COc3cc(F)ccc3C2)c(O)c1 ZINC000861490582 1295423944 /nfs/dbraw/zinc/42/39/44/1295423944.db2.gz WZDJLSQBTIHAOM-ZDUSSCGKSA-N 0 0 331.343 2.407 10 10 EECERN COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(Cl)ccc1O ZINC000862516203 1295864348 /nfs/dbraw/zinc/86/43/48/1295864348.db2.gz MMWFGXPOPPXWIR-SMDDNHRTSA-N 0 0 327.808 2.494 10 10 EECERN CCCN(CCC)c1ccc(CN2CCO[C@H](CC(N)=O)C2)cc1 ZINC000862535669 1295870866 /nfs/dbraw/zinc/87/08/66/1295870866.db2.gz VNYLESUBJOUHDO-GOSISDBHSA-N 0 0 333.476 2.389 10 10 EECERN Cc1cc(C2(C(=O)NCc3cc(C)ccc3O)CCOCC2)on1 ZINC000862754460 1295951787 /nfs/dbraw/zinc/95/17/87/1295951787.db2.gz YKQKBTOOHUBNKD-UHFFFAOYSA-N 0 0 330.384 2.362 10 10 EECERN Cc1cc(C(=O)NC[C@@H]2COCCN2C)c(C)n1-c1ccccc1C ZINC000862971119 1296051878 /nfs/dbraw/zinc/05/18/78/1296051878.db2.gz JOXGIDCPWVLBJA-QGZVFWFLSA-N 0 0 341.455 2.463 10 10 EECERN CNC(=O)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000797766799 1304826836 /nfs/dbraw/zinc/82/68/36/1304826836.db2.gz QXYWWDLPWAQSLR-HQPKTYMTSA-N 0 0 340.379 2.105 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3cccnc3C)C2)cc1 ZINC001118777734 1308941074 /nfs/dbraw/zinc/94/10/74/1308941074.db2.gz LVHOFNNMOMELJY-MRXNPFEDSA-N 0 0 325.412 2.336 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3nnc(C)o3)C2)cc1 ZINC001123837565 1310725080 /nfs/dbraw/zinc/72/50/80/1310725080.db2.gz YZKZMXZJIXCQEU-AAEUAGOBSA-N 0 0 345.403 2.026 10 10 EECERN CC(=O)CCc1ccc(OCC(=O)NCc2cccc(O)c2O)cc1 ZINC001123978107 1310788016 /nfs/dbraw/zinc/78/80/16/1310788016.db2.gz PZHBPESITVUCJW-UHFFFAOYSA-N 0 0 343.379 2.315 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN(C2CC2)CC1 ZINC000840478520 1315369007 /nfs/dbraw/zinc/36/90/07/1315369007.db2.gz HFXQSTVMMNBZDP-INIZCTEOSA-N 0 0 344.503 2.482 10 10 EECERN CCCN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841100418 1315475699 /nfs/dbraw/zinc/47/56/99/1315475699.db2.gz YAGSWJABUWQVLA-UHFFFAOYSA-N 0 0 326.400 2.084 10 10 EECERN COCCCCS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841569396 1315579422 /nfs/dbraw/zinc/57/94/22/1315579422.db2.gz LCMPQXLYGIHNQM-OAHLLOKOSA-N 0 0 342.505 2.338 10 10 EECERN COc1cccc(CNC(=O)c2ccnc(-c3ccccn3)n2)c1O ZINC001150543834 1316294922 /nfs/dbraw/zinc/29/49/22/1316294922.db2.gz VHXCINTXQLZFSG-UHFFFAOYSA-N 0 0 336.351 2.183 10 10 EECERN Cc1cc(CC(=O)N[C@H](CO)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001152915671 1316743220 /nfs/dbraw/zinc/74/32/20/1316743220.db2.gz SUWICOZHEXTRQP-VQIMIIECSA-N 0 0 342.439 2.150 10 10 EECERN Cc1ccc(NCCNC(=O)c2ccc(N=NC(N)=O)cc2)nc1 ZINC001156469852 1318026144 /nfs/dbraw/zinc/02/61/44/1318026144.db2.gz FYHNDADRIFFDLX-UHFFFAOYSA-N 0 0 326.360 2.394 10 10 EECERN O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1c(F)ccc(O)c1O ZINC001161775031 1320620221 /nfs/dbraw/zinc/62/02/21/1320620221.db2.gz MECBRSMLUDYLRH-JTQLQIEISA-N 0 0 339.750 2.396 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CC(c2ccccn2)=NO1 ZINC001162613111 1320912322 /nfs/dbraw/zinc/91/23/22/1320912322.db2.gz WOQVPFRHZRNRJF-MRXNPFEDSA-N 0 0 348.362 2.145 10 10 EECERN Cn1nnc2c1ncnc2N(Cc1ccco1)Cc1ccccc1O ZINC001162937512 1320991543 /nfs/dbraw/zinc/99/15/43/1320991543.db2.gz ZZTYWTHUUCRLII-UHFFFAOYSA-N 0 0 336.355 2.264 10 10 EECERN Cc1ccc(C(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)c(O)c1O ZINC001166312743 1321697833 /nfs/dbraw/zinc/69/78/33/1321697833.db2.gz NXFCOMZYDZCZDO-NSHDSACASA-N 0 0 326.352 2.389 10 10 EECERN CC(C)=C(F)C(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284266832 1326480691 /nfs/dbraw/zinc/48/06/91/1326480691.db2.gz SIRMWPJXMRCYKV-SNVBAGLBSA-N 0 0 349.366 2.347 10 10 EECERN CC[C@@H](CNC(=O)C1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285026690 1326835808 /nfs/dbraw/zinc/83/58/08/1326835808.db2.gz ZVTQDUZQCCIVQW-ZDUSSCGKSA-N 0 0 345.403 2.274 10 10 EECERN COc1cc(C(=O)N[C@@H](C)CNC(=O)CC(C)=C(C)C)cc(OC)n1 ZINC001295611123 1329825588 /nfs/dbraw/zinc/82/55/88/1329825588.db2.gz HFTGAVYKJMCEFJ-ZDUSSCGKSA-N 0 0 349.431 2.080 10 10 EECERN COc1ccc(CNC(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)c(O)c1 ZINC001296967765 1329935323 /nfs/dbraw/zinc/93/53/23/1329935323.db2.gz GIXWNOJDSAMJPK-UHFFFAOYSA-N 0 0 342.273 2.450 10 10 EECERN COc1ccc(C(=O)NCc2cccc(O)c2O)c(OC)c1OC ZINC001303193397 1331348255 /nfs/dbraw/zinc/34/82/55/1331348255.db2.gz LZWSBRVZKGTKMX-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)c1cncs1 ZINC001304243222 1331383124 /nfs/dbraw/zinc/38/31/24/1331383124.db2.gz WOHMXXMBERGBTK-UHFFFAOYSA-N 0 0 334.378 2.382 10 10 EECERN CC1(CNC(=O)C(=O)NCCCSc2nccs2)CCC1 ZINC001323465046 1333469177 /nfs/dbraw/zinc/46/91/77/1333469177.db2.gz GRZHXLFFUQAQTA-UHFFFAOYSA-N 0 0 327.475 2.048 10 10 EECERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001325698305 1333943001 /nfs/dbraw/zinc/94/30/01/1333943001.db2.gz XKZRWIYVRHJRTK-NVXWUHKLSA-N 0 0 343.471 2.408 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(N(C)C)cc1 ZINC001328037896 1334382882 /nfs/dbraw/zinc/38/28/82/1334382882.db2.gz VHGXGBUTAYCGSV-OWIUFQIYSA-N 0 0 343.471 2.482 10 10 EECERN COc1ccc(N2CC[C@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC001330060811 1334771790 /nfs/dbraw/zinc/77/17/90/1334771790.db2.gz TXUURRZHQIQMRJ-LBPRGKRZSA-N 0 0 329.360 2.393 10 10 EECERN Cc1n[nH]c(C)c1/C=C1/OCCn2c(C=O)c(Br)nc21 ZINC001331947828 1335685207 /nfs/dbraw/zinc/68/52/07/1335685207.db2.gz OUMOTFJBLSTWGN-VZUCSPMQSA-N 0 0 337.177 2.326 10 10 EECERN COc1ccc(N2CCN(c3nc(C)ncc3C)CC2)c(OC)c1 ZINC001331961358 1335689505 /nfs/dbraw/zinc/68/95/05/1335689505.db2.gz NVBDIYYQJRZUQE-UHFFFAOYSA-N 0 0 328.416 2.437 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC001332628151 1335866617 /nfs/dbraw/zinc/86/66/17/1335866617.db2.gz NCUUTBUFNQDZCY-UZLBHIALSA-N 0 0 341.455 2.209 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC[C@]23C[C@H]2CCCC3)cc1 ZINC001333043182 1335953408 /nfs/dbraw/zinc/95/34/08/1335953408.db2.gz AYEWPZPRIBPNAR-BEFAXECRSA-N 0 0 329.444 2.065 10 10 EECERN CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001333803165 1336136754 /nfs/dbraw/zinc/13/67/54/1336136754.db2.gz RNUJZSKKZFAHPN-QWRGUYRKSA-N 0 0 333.392 2.272 10 10 EECERN O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1c(F)ccc(O)c1O ZINC000848391278 1338696201 /nfs/dbraw/zinc/69/62/01/1338696201.db2.gz BTVZLOOJPHWXNM-GMSGAONNSA-N 0 0 337.269 2.467 10 10 EECERN Cn1nc(Br)c2c1ncnc2N1Cc2cccc(O)c2C1 ZINC001612799814 1352311415 /nfs/dbraw/zinc/31/14/15/1352311415.db2.gz SZLRVTDAZSBSTN-UHFFFAOYSA-N 0 0 346.188 2.352 10 10 EECERN COC(=O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001558663386 1342485709 /nfs/dbraw/zinc/48/57/09/1342485709.db2.gz NJCLPWJPWACECR-CQSZACIVSA-N 0 0 340.339 2.493 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cccc(N2CCCC2=O)c1 ZINC001593868777 1349873273 /nfs/dbraw/zinc/87/32/73/1349873273.db2.gz PLUUTSIOEZRZFM-UHFFFAOYSA-N 0 0 326.352 2.155 10 10 EECERN O=CC1=S=C(c2ccc(C(=O)Nc3nc4cc[nH]cc-4n3)cc2)C=C1 ZINC001598462424 1349939881 /nfs/dbraw/zinc/93/98/81/1349939881.db2.gz FAEYGMUYGSAEBU-UHFFFAOYSA-N 0 0 348.387 2.405 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)Cn2ncc3cccnc32)c1 ZINC001622779681 1352389193 /nfs/dbraw/zinc/38/91/93/1352389193.db2.gz SPVHKAQENCWOLG-NSHDSACASA-N 0 0 326.356 2.023 10 10 EECERN O=C(Cn1ccc(C(F)F)n1)NCc1ccc2cccnc2c1O ZINC001630531638 1352570268 /nfs/dbraw/zinc/57/02/68/1352570268.db2.gz ABGHCSRNFOTRMT-UHFFFAOYSA-N 0 0 332.310 2.391 10 10 EECERN Cc1cc(C(F)F)n(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001632681814 1352600877 /nfs/dbraw/zinc/60/08/77/1352600877.db2.gz VRESVNCQRGILFO-VIFPVBQESA-N 0 0 339.342 2.288 10 10 EECERN Cc1ccccc1C1=NO[C@@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001637046385 1352671789 /nfs/dbraw/zinc/67/17/89/1352671789.db2.gz QJNYIYKFHXZGOH-MRXNPFEDSA-N 0 0 326.352 2.216 10 10 EECERN O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1c(F)ccc(O)c1O ZINC001638567752 1352689748 /nfs/dbraw/zinc/68/97/48/1352689748.db2.gz ZSYZOQIXFZKHLS-SECBINFHSA-N 0 0 325.242 2.379 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001640049873 1352705540 /nfs/dbraw/zinc/70/55/40/1352705540.db2.gz YQPHZCOWCHAGHP-UHFFFAOYSA-N 0 0 338.266 2.143 10 10 EECERN CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2cc(O)ccc2O)c1 ZINC001644752369 1352768340 /nfs/dbraw/zinc/76/83/40/1352768340.db2.gz CQWQAHJQCBRLLD-LBPRGKRZSA-N 0 0 329.352 2.384 10 10 EECERN NC(=O)N[C@H](CC(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001648606369 1353435865 /nfs/dbraw/zinc/43/58/65/1353435865.db2.gz PJGKGRFGXZSJGW-CQSZACIVSA-N 0 0 347.802 2.462 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC001652927774 1354108689 /nfs/dbraw/zinc/10/86/89/1354108689.db2.gz GHBNKLCJOQKIFQ-IUODEOHRSA-N 0 0 346.387 2.117 10 10 EECERN Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NCc1cccc(Cl)c1O ZINC001653567276 1354127697 /nfs/dbraw/zinc/12/76/97/1354127697.db2.gz SDZYRHBARKRKOF-UHFFFAOYSA-N 0 0 325.777 2.068 10 10 EECERN C[C@H](NC(=O)c1ncc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC001125519510 759729862 /nfs/dbraw/zinc/72/98/62/759729862.db2.gz WZUXJSXKLFITSY-LBPRGKRZSA-N 0 0 346.818 2.458 10 10 EECERN COc1ccc(O)c(CNC(=O)NCC[C@@H](N(C)C)C(F)(F)F)c1 ZINC000918745072 769364330 /nfs/dbraw/zinc/36/43/30/769364330.db2.gz BNTQRAPGMWLVBS-CYBMUJFWSA-N 0 0 349.353 2.083 10 10 EECERN CCN(CCn1nc2ccccn2c1=O)c1ccc(OC)c(OC)c1 ZINC000921061776 770952632 /nfs/dbraw/zinc/95/26/32/770952632.db2.gz LFJMRZXOXHTRKW-UHFFFAOYSA-N 0 0 342.399 2.040 10 10 EECERN O=S(=O)(CCOCC1CCCC1)NCc1c(O)cccc1F ZINC000921451677 773382381 /nfs/dbraw/zinc/38/23/81/773382381.db2.gz UKCFQXZQSNIKFP-UHFFFAOYSA-N 0 0 331.409 2.158 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2[nH]c(CO)nc21 ZINC000906713765 784096659 /nfs/dbraw/zinc/09/66/59/784096659.db2.gz HOVYBVQKHSJZNK-UHFFFAOYSA-N 0 0 338.411 2.360 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000907274084 784490379 /nfs/dbraw/zinc/49/03/79/784490379.db2.gz ONEUVNQZHXCHRI-ZSOFBXJNSA-N 0 0 341.407 2.238 10 10 EECERN CCOC(=O)[C@@H](CC(=O)NCc1ccc(N(CC)CC)cc1)C(C)=O ZINC001136300245 785781157 /nfs/dbraw/zinc/78/11/57/785781157.db2.gz JYQPJOAIXCSNLC-KRWDZBQOSA-N 0 0 348.443 2.307 10 10 EECERN O=C(NCc1ccc(O)cc1O)C1(c2ccc3c(c2)OCCO3)CC1 ZINC000910959201 787136453 /nfs/dbraw/zinc/13/64/53/787136453.db2.gz YVSPEKAVVRUNHA-UHFFFAOYSA-N 0 0 341.363 2.217 10 10 EECERN CC1(C)CCC[C@](O)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000823291475 787681413 /nfs/dbraw/zinc/68/14/13/787681413.db2.gz HHDRVJNMUNCNTK-HXUWFJFHSA-N 0 0 346.471 2.471 10 10 EECERN CCOC(=O)CN(Cc1nnc(C)n1C1CC1)Cc1ccccc1O ZINC000823575864 787803563 /nfs/dbraw/zinc/80/35/63/787803563.db2.gz CRFXOBQOBZDJRY-UHFFFAOYSA-N 0 0 344.415 2.192 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H](O)C3(C)C)C2)cc1 ZINC000823732884 787890008 /nfs/dbraw/zinc/89/00/08/787890008.db2.gz IZALZARJGFGYKX-PBHICJAKSA-N 0 0 347.459 2.076 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC12CC2 ZINC000823862297 787966326 /nfs/dbraw/zinc/96/63/26/787966326.db2.gz OFLYMGXQQPSPJA-MRXNPFEDSA-N 0 0 333.407 2.139 10 10 EECERN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000824854139 788322542 /nfs/dbraw/zinc/32/25/42/788322542.db2.gz OEIIUCZXNUKMSI-NEPJUHHUSA-N 0 0 338.360 2.130 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(F)ccn1 ZINC000824823410 788327558 /nfs/dbraw/zinc/32/75/58/788327558.db2.gz BKYYQBYJUMXHCH-UHFFFAOYSA-N 0 0 330.363 2.379 10 10 EECERN C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc(Br)c1[O-] ZINC000825130386 788450083 /nfs/dbraw/zinc/45/00/83/788450083.db2.gz XDVBQTQIDXJZNA-GWCFXTLKSA-N 0 0 330.222 2.126 10 10 EECERN C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000844422024 789085682 /nfs/dbraw/zinc/08/56/82/789085682.db2.gz KIJFYLOIKYZHNY-OAHLLOKOSA-N 0 0 331.460 2.012 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)c2ccnn2C)cc1 ZINC000844856424 789403073 /nfs/dbraw/zinc/40/30/73/789403073.db2.gz KHSCZGJSRDMNLJ-AWEZNQCLSA-N 0 0 330.432 2.127 10 10 EECERN Cc1nn(C)c(C)c1CCNC(=O)NCc1cc(Cl)ccc1O ZINC000844889071 789433460 /nfs/dbraw/zinc/43/34/60/789433460.db2.gz KGOGCTNYEQIBFV-UHFFFAOYSA-N 0 0 336.823 2.438 10 10 EECERN CC(=O)C(=O)COC(=O)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000845433135 789774030 /nfs/dbraw/zinc/77/40/30/789774030.db2.gz VXFRWEOBCOWHOF-UHFFFAOYSA-N 0 0 330.258 2.318 10 10 EECERN C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000846193515 790086190 /nfs/dbraw/zinc/08/61/90/790086190.db2.gz MSFKFZAAJXNGCK-YMTOWFKASA-N 0 0 348.212 2.486 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)c2c[nH]c(=O)cc2C)cc1 ZINC000846442206 790182831 /nfs/dbraw/zinc/18/28/31/790182831.db2.gz MDQVSPRQYCSEBS-UHFFFAOYSA-N 0 0 329.400 2.313 10 10 EECERN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC000785575346 806525354 /nfs/dbraw/zinc/52/53/54/806525354.db2.gz UGDTWNRVLILMSJ-BTDLBPIBSA-N 0 0 346.339 2.241 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H]4C[C@]4(O)C3)c2C)cc1 ZINC000921892243 797910919 /nfs/dbraw/zinc/91/09/19/797910919.db2.gz OUTSCKNUPJXDAE-LIRRHRJNSA-N 0 0 326.396 2.310 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(C2N=NC(=S)O2)cc1 ZINC001178912483 799697491 /nfs/dbraw/zinc/69/74/91/799697491.db2.gz USDYGAXIEQGLLP-UHFFFAOYSA-N 0 0 343.364 2.367 10 10 EECERN CCc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccccn1 ZINC001178912722 799698015 /nfs/dbraw/zinc/69/80/15/799698015.db2.gz XARSWKIXDTYKSO-UHFFFAOYSA-N 0 0 338.367 2.171 10 10 EECERN O=C(CCCNC(=O)C1CC1)NCc1c(O)ccc2ccccc21 ZINC001179029025 799757614 /nfs/dbraw/zinc/75/76/14/799757614.db2.gz HIRKCBVZDIWXGQ-UHFFFAOYSA-N 0 0 326.396 2.468 10 10 EECERN CC(F)(F)CCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000922378188 800903362 /nfs/dbraw/zinc/90/33/62/800903362.db2.gz JGIKQRFXFHDCHQ-UHFFFAOYSA-N 0 0 337.344 2.356 10 10 EECERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000922530116 801248842 /nfs/dbraw/zinc/24/88/42/801248842.db2.gz CBXDEZCOSVUSJB-SAABIXHNSA-N 0 0 328.368 2.483 10 10 EECERN COc1ccc(CNC(=O)NCCCc2nc(C(C)C)no2)c(O)c1 ZINC000792887892 810054852 /nfs/dbraw/zinc/05/48/52/810054852.db2.gz ROOXCTQCWICMJT-UHFFFAOYSA-N 0 0 348.403 2.339 10 10 EECERN COc1ccc(CNC(=O)c2cccc(C(=O)NC3CC3)c2)c(O)c1 ZINC000794389916 810812494 /nfs/dbraw/zinc/81/24/94/810812494.db2.gz SHUKJNBJMNCIJM-UHFFFAOYSA-N 0 0 340.379 2.223 10 10 EECERN O=C(NCC[C@@H]1CCOC1)NCc1cc(Br)ccc1O ZINC000805279994 811211884 /nfs/dbraw/zinc/21/18/84/811211884.db2.gz VPYOWBMPADHQTR-SNVBAGLBSA-N 0 0 343.221 2.381 10 10 EECERN C[C@@H]1CC[C@H](C)CN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289654 812175960 /nfs/dbraw/zinc/17/59/60/812175960.db2.gz DAFSCRNUDJMDBX-JKSUJKDBSA-N 0 0 341.455 2.326 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000808501686 812674858 /nfs/dbraw/zinc/67/48/58/812674858.db2.gz NABQKPCIRWFFEN-UHFFFAOYSA-N 0 0 342.120 2.384 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1 ZINC000808547393 812714101 /nfs/dbraw/zinc/71/41/01/812714101.db2.gz MEONAQMDWLMBTE-OAHLLOKOSA-N 0 0 349.383 2.262 10 10 EECERN COCCNc1nc(CC(=O)N(C)Cc2ccccc2O)cs1 ZINC001445645951 1091435732 /nfs/dbraw/zinc/43/57/32/1091435732.db2.gz IEBHLBSSXLIBOI-UHFFFAOYSA-N 0 0 335.429 2.108 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)C3=C[S@@](=O)CCC3)C2)cc1 ZINC001452034492 1098138401 /nfs/dbraw/zinc/13/84/01/1098138401.db2.gz UJZITSJDJIUGAM-SHACYNPGSA-N 0 0 348.468 2.064 10 10 EECERN CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1ccon1 ZINC001495119842 1100778454 /nfs/dbraw/zinc/77/84/54/1100778454.db2.gz YCRLHJYEZLHRAI-GFCCVEGCSA-N 0 0 344.375 2.135 10 10 EECERN Cc1nn(C)c2nc(C)cc(C(=O)NCc3c(O)cccc3F)c12 ZINC001456102391 1109079948 /nfs/dbraw/zinc/07/99/48/1109079948.db2.gz UEXSXYJYCICGIP-UHFFFAOYSA-N 0 0 328.347 2.360 10 10 EECERN Oc1cccc(O)c1CNc1ncc(I)cn1 ZINC001458646095 1109923190 /nfs/dbraw/zinc/92/31/90/1109923190.db2.gz UQFCZKAXOYOBRS-UHFFFAOYSA-N 0 0 343.124 2.105 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1nc(-c2ccncc2)cs1 ZINC001464716327 1110401092 /nfs/dbraw/zinc/40/10/92/1110401092.db2.gz FGBLNQXOWJVJIZ-UHFFFAOYSA-N 0 0 341.392 2.475 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(N)ncnc3c2)c1 ZINC001465991929 1110427908 /nfs/dbraw/zinc/42/79/08/1110427908.db2.gz HFKPGDRAIUKPIW-JTQLQIEISA-N 0 0 338.367 2.417 10 10 EECERN CCCNC(=O)c1cccc(C(=O)NCc2ccc(O)cc2O)c1 ZINC001469158596 1110486129 /nfs/dbraw/zinc/48/61/29/1110486129.db2.gz CSCWKNXANZIYKJ-UHFFFAOYSA-N 0 0 328.368 2.168 10 10 EECERN O=Cc1cccc(OCC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001469249935 1110487937 /nfs/dbraw/zinc/48/79/37/1110487937.db2.gz PZSPQVIPBWJHTC-UHFFFAOYSA-N 0 0 336.347 2.448 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC001471642124 1110526768 /nfs/dbraw/zinc/52/67/68/1110526768.db2.gz KWFNOXCPGCKATA-MQMHXKEQSA-N 0 0 342.399 2.175 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1c(F)cccc1-n1cccn1 ZINC001471662053 1110527734 /nfs/dbraw/zinc/52/77/34/1110527734.db2.gz MIIRODDRYJWNIF-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC001471975741 1110537094 /nfs/dbraw/zinc/53/70/94/1110537094.db2.gz FVGIANHCLNZOPQ-MLGOLLRUSA-N 0 0 329.327 2.452 10 10 EECERN CC(=O)N1CCC[C@H](C(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001472086411 1110541814 /nfs/dbraw/zinc/54/18/14/1110541814.db2.gz YAWYCJLGFSYDOA-HNNXBMFYSA-N 0 0 326.396 2.420 10 10 EECERN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1c(F)ccc(O)c1O ZINC001472521470 1110557925 /nfs/dbraw/zinc/55/79/25/1110557925.db2.gz XOJORFYZACPBID-HSZRJFAPSA-N 0 0 337.372 2.247 10 10 EECERN CCS(=O)(=O)NCCN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001473570674 1110577226 /nfs/dbraw/zinc/57/72/26/1110577226.db2.gz ZQUXJTKMJMEMPS-OAHLLOKOSA-N 0 0 340.489 2.269 10 10 EECERN CC(=O)N(C)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001511713847 1118206994 /nfs/dbraw/zinc/20/69/94/1118206994.db2.gz PZJRAYIBABQZCV-UHFFFAOYSA-N 0 0 333.392 2.178 10 10 EECERN CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1CCO[C@H](CC)C1 ZINC001540417211 1124081907 /nfs/dbraw/zinc/08/19/07/1124081907.db2.gz CIOHFWGCTIEUNN-MSOLQXFVSA-N 0 0 333.476 2.258 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001540567411 1124086637 /nfs/dbraw/zinc/08/66/37/1124086637.db2.gz LCMXMELZLGNBKW-UHFFFAOYSA-N 0 0 343.387 2.201 10 10 EECERN COC(=O)c1ccc(/C=C\C(=O)NCc2ccc(OC)cc2O)o1 ZINC001568098337 1124301680 /nfs/dbraw/zinc/30/16/80/1124301680.db2.gz WZYGOWNFNLWOGY-VURMDHGXSA-N 0 0 331.324 2.110 10 10 EECERN CC(C)NC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000053916209 214204421 /nfs/dbraw/zinc/20/44/21/214204421.db2.gz CPNPVLIUJYKPCC-OAHLLOKOSA-N 0 0 333.432 2.181 10 10 EECERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cccc(O)c1O ZINC000193144837 530014683 /nfs/dbraw/zinc/01/46/83/530014683.db2.gz GSRFPHBEUZJFIA-UHFFFAOYSA-N 0 0 329.278 2.122 10 10 EECERN COc1cccc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000092040443 533484648 /nfs/dbraw/zinc/48/46/48/533484648.db2.gz VZATXXCIRBTKGN-CABCVRRESA-N 0 0 333.384 2.318 10 10 EECERN C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000055510919 132195149 /nfs/dbraw/zinc/19/51/49/132195149.db2.gz RBXPZQLMDYXCEE-GDBMZVCRSA-N 0 0 349.450 2.324 10 10 EECERN CCOc1ccc(O)c(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000122485150 463268351 /nfs/dbraw/zinc/26/83/51/463268351.db2.gz RWJVVSUFSMBWEI-QGZVFWFLSA-N 0 0 331.416 2.197 10 10 EECERN COc1cc(Br)cc([C@H]2NC(=O)[C@H]3CCCCN32)c1O ZINC000071967750 463478521 /nfs/dbraw/zinc/47/85/21/463478521.db2.gz KUDDFZMZRHUJMS-MFKMUULPSA-N 0 0 341.205 2.146 10 10 EECERN Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)o1 ZINC000171108277 463788276 /nfs/dbraw/zinc/78/82/76/463788276.db2.gz ZORGGSUSBNQVFF-JTQLQIEISA-N 0 0 338.385 2.156 10 10 EECERN C[C@H]1COCC[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277506742 463918311 /nfs/dbraw/zinc/91/83/11/463918311.db2.gz ROHZSERBGXNTJI-CABZTGNLSA-N 0 0 343.221 2.379 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC[C@@H]2CC(=O)OC)c([N+](=O)[O-])c1 ZINC000269345889 463959440 /nfs/dbraw/zinc/95/94/40/463959440.db2.gz IAWNUJBQEBXSFD-FWPCIQOSSA-N 0 0 348.355 2.313 10 10 EECERN C[C@H]1CN(c2ccc(CNC(=O)N3CCCO3)cc2F)C[C@H](C)O1 ZINC000284008425 464066360 /nfs/dbraw/zinc/06/63/60/464066360.db2.gz IUAZDROQHMUKTE-STQMWFEESA-N 0 0 337.395 2.286 10 10 EECERN Cc1cccc(N2CCC(NC(=O)c3cccc(O)c3O)CC2)n1 ZINC000187102099 464098294 /nfs/dbraw/zinc/09/82/94/464098294.db2.gz MTVOMZKEBKBPFA-UHFFFAOYSA-N 0 0 327.384 2.200 10 10 EECERN CO[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000290948885 464138828 /nfs/dbraw/zinc/13/88/28/464138828.db2.gz MKPMXJHMKSSXOE-HUUCEWRRSA-N 0 0 349.475 2.118 10 10 EECERN Cc1nnc([C@@H](NC(=O)c2ccc(C)c(O)c2O)c2ccccc2)[nH]1 ZINC000179476181 464142992 /nfs/dbraw/zinc/14/29/92/464142992.db2.gz NTNONQFEVBPFKL-AWEZNQCLSA-N 0 0 338.367 2.352 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000174066623 464357572 /nfs/dbraw/zinc/35/75/72/464357572.db2.gz AINBTGYVYBBEAC-AWEZNQCLSA-N 0 0 343.402 2.477 10 10 EECERN COc1ccc(N2CCN(C[C@H](O)CC(F)(F)F)CC2)cc1F ZINC000189535921 464527494 /nfs/dbraw/zinc/52/74/94/464527494.db2.gz URGJFYDQIWBGTF-GFCCVEGCSA-N 0 0 336.329 2.270 10 10 EECERN CC(C)(C)OC(=O)NCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272406808 464596013 /nfs/dbraw/zinc/59/60/13/464596013.db2.gz IKTUBXVWGHBZBZ-SOFGYWHQSA-N 0 0 336.388 2.142 10 10 EECERN CN(C)c1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1F ZINC000301818885 466038704 /nfs/dbraw/zinc/03/87/04/466038704.db2.gz AGNYXEBRHJBHAF-UHFFFAOYSA-N 0 0 330.323 2.455 10 10 EECERN Cc1cn2c(n1)C[C@H](C(=O)N1CCOc3cc(N(C)C)ccc31)CC2 ZINC000625916173 469434776 /nfs/dbraw/zinc/43/47/76/469434776.db2.gz MHDZOEXXDGAXGL-CQSZACIVSA-N 0 0 340.427 2.246 10 10 EECERN COCCCOC1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776236645 577455366 /nfs/dbraw/zinc/45/53/66/577455366.db2.gz AHTLCEQBLDQZBP-AWEZNQCLSA-N 0 0 335.448 2.261 10 10 EECERN Cc1cc(CCNC(=O)[C@H]2CCNC(=O)C2)c(C)n1-c1ccccc1 ZINC000760318940 577660577 /nfs/dbraw/zinc/66/05/77/577660577.db2.gz DEGQBNZXUDJJCD-KRWDZBQOSA-N 0 0 339.439 2.279 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCn1ccnn1 ZINC000753352717 577785766 /nfs/dbraw/zinc/78/57/66/577785766.db2.gz RPWPXHPLZYQQHG-UHFFFAOYSA-N 0 0 344.463 2.354 10 10 EECERN CC(C)(C)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1O ZINC000754063899 577799514 /nfs/dbraw/zinc/79/95/14/577799514.db2.gz CYLAPWSNLNJBMR-IINYFYTJSA-N 0 0 349.387 2.159 10 10 EECERN CCOCCO[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804735128 675610758 /nfs/dbraw/zinc/61/07/58/675610758.db2.gz LZFRIHIMHRINKC-SNVBAGLBSA-N 0 0 346.221 2.213 10 10 EECERN CCOC(=O)C1(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804738587 675611523 /nfs/dbraw/zinc/61/15/23/675611523.db2.gz VXBJJVKSLNIBSR-UHFFFAOYSA-N 0 0 342.189 2.114 10 10 EECERN COC(=O)[C@H]1CN(Cc2cccc(OC)c2O)c2ccc(F)cc2O1 ZINC000895139813 684092576 /nfs/dbraw/zinc/09/25/76/684092576.db2.gz PKJAAQVGPVQQQJ-MRXNPFEDSA-N 0 0 347.342 2.481 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCO[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000193594072 684858406 /nfs/dbraw/zinc/85/84/06/684858406.db2.gz LFVAXSPDXHRVFC-MASHWEEQSA-N 0 0 342.298 2.251 10 10 EECERN CCOc1ccc(N(Cc2cn(CC(=O)OC)nn2)CC2CC2)cc1 ZINC000899888371 693913483 /nfs/dbraw/zinc/91/34/83/693913483.db2.gz JZEATRKXUZFMNN-UHFFFAOYSA-N 0 0 344.415 2.266 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000897584604 691647712 /nfs/dbraw/zinc/64/77/12/691647712.db2.gz FLXDVGJYMHTSQY-CYBMUJFWSA-N 0 0 347.392 2.133 10 10 EECERN CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897744282 691777121 /nfs/dbraw/zinc/77/71/21/691777121.db2.gz LRPAGJOGQVQDMV-NSHDSACASA-N 0 0 348.424 2.299 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000897866311 691805861 /nfs/dbraw/zinc/80/58/61/691805861.db2.gz WBDKVPXWJGFTLV-ZFOGPFJYSA-N 0 0 343.471 2.338 10 10 EECERN COc1ccc(CNC(=O)NCCc2ccc(OC)c(O)c2)c(O)c1 ZINC001687488360 1193555835 /nfs/dbraw/zinc/55/58/35/1193555835.db2.gz TXXFFCYNFRUZFX-UHFFFAOYSA-N 0 0 346.383 2.157 10 10 EECERN C[C@]1(C(F)(F)F)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000871437213 1197731955 /nfs/dbraw/zinc/73/19/55/1197731955.db2.gz DNLVTXKYURNKCT-LYKUJDHUSA-N 0 0 331.290 2.291 10 10 EECERN CCO[C@H](C(=O)NCCCSc1nccs1)[C@@H]1CCOC1 ZINC000865784979 1198374443 /nfs/dbraw/zinc/37/44/43/1198374443.db2.gz KYIKJDCIZGLCDL-NEPJUHHUSA-N 0 0 330.475 2.183 10 10 EECERN C[C@@H](NC(=O)CCc1ccnn1C)c1ccc(N2CCOCC2)cc1 ZINC000120949807 1201457651 /nfs/dbraw/zinc/45/76/51/1201457651.db2.gz CPUJIEUCIMKHSY-OAHLLOKOSA-N 0 0 342.443 2.067 10 10 EECERN CCO[C@@H]1COCC[C@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000866209150 1201465763 /nfs/dbraw/zinc/46/57/63/1201465763.db2.gz YXPCHXONPKTRBJ-KBXCAEBGSA-N 0 0 348.443 2.310 10 10 EECERN COc1ccc(N2CC[C@@H](NS(=O)(=O)C3(C(C)C)CC3)C2)cc1 ZINC000867496490 1201622879 /nfs/dbraw/zinc/62/28/79/1201622879.db2.gz DLLNWOYGDVNRIY-CQSZACIVSA-N 0 0 338.473 2.382 10 10 EECERN CN(C)Cc1csc(CNC(=O)N(C)Cc2ccccc2O)n1 ZINC000924765608 1206028577 /nfs/dbraw/zinc/02/85/77/1206028577.db2.gz NIAMYAZBYFHZKE-UHFFFAOYSA-N 0 0 334.445 2.252 10 10 EECERN COCc1ccc([C@H]2COCCN2C(=O)c2ccc(C)c(O)c2O)o1 ZINC000928523861 1206396125 /nfs/dbraw/zinc/39/61/25/1206396125.db2.gz TVFBXLUGGFQCAJ-CQSZACIVSA-N 0 0 347.367 2.359 10 10 EECERN COC(=O)Cc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779529498 1210411426 /nfs/dbraw/zinc/41/14/26/1210411426.db2.gz DIAWCFIOEYIXRC-CLFYSBASSA-N 0 0 327.336 2.465 10 10 EECERN COc1cccc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1O ZINC000093667230 1214919867 /nfs/dbraw/zinc/91/98/67/1214919867.db2.gz BNHGPSVGSVCDLZ-MRXNPFEDSA-N 0 0 348.443 2.004 10 10 EECERN CCOC(=O)CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000900357381 1234261824 /nfs/dbraw/zinc/26/18/24/1234261824.db2.gz VBJIJYUECISKGI-UHFFFAOYSA-N 0 0 335.381 2.480 10 10 EECERN CC(=O)c1cc(F)cc(CN(C)Cc2cnc(N(C)C)nc2)c1O ZINC000780325434 1258793726 /nfs/dbraw/zinc/79/37/26/1258793726.db2.gz FSGNMYDDMRNQJS-UHFFFAOYSA-N 0 0 332.379 2.222 10 10 EECERN COCc1nnc(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[n-]1 ZINC000850360519 1277197107 /nfs/dbraw/zinc/19/71/07/1277197107.db2.gz KKLGDYQXSXKJRM-UHFFFAOYSA-N 0 0 334.420 2.253 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(C)n3)C2)cc1 ZINC000851982448 1291941587 /nfs/dbraw/zinc/94/15/87/1291941587.db2.gz IJEOEYSDEBTOEJ-INIZCTEOSA-N 0 0 340.427 2.477 10 10 EECERN C[C@]12COC[C@H]1CN(C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000851986475 1291943170 /nfs/dbraw/zinc/94/31/70/1291943170.db2.gz ASSILAFGMSQDRP-APWZRJJASA-N 0 0 329.444 2.465 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C3CCOCC3)C2)cc1 ZINC000852207187 1292041269 /nfs/dbraw/zinc/04/12/69/1292041269.db2.gz AYJRJXRYPQHBKS-HOCLYGCPSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC4(CCO4)CC3)C2)cc1 ZINC000852451301 1292117610 /nfs/dbraw/zinc/11/76/10/1292117610.db2.gz HGDPFRAZMPMIPY-OAHLLOKOSA-N 0 0 345.443 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)C[C@@H]3CCCOC3)C2)cc1 ZINC000852455637 1292118488 /nfs/dbraw/zinc/11/84/88/1292118488.db2.gz VHBVJRLNZMBENB-JKSUJKDBSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3C[C@H](C)OC(C)(C)C3)C2)cc1 ZINC000852454745 1292118819 /nfs/dbraw/zinc/11/88/19/1292118819.db2.gz QCBDYVIATMRQKW-LSDHHAIUSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@H](CO)C3)C2)cc1 ZINC000854296663 1292708069 /nfs/dbraw/zinc/70/80/69/1292708069.db2.gz FQEBLIWPZJFSBK-XHSDSOJGSA-N 0 0 347.459 2.124 10 10 EECERN CCOC1CC(N(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854298172 1292708863 /nfs/dbraw/zinc/70/88/63/1292708863.db2.gz XMNKXCAIWPNUEZ-MXWWQKGMSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CC(C)(C)O)C2)cc1 ZINC000854297494 1292709396 /nfs/dbraw/zinc/70/93/96/1292709396.db2.gz OZJWBIHHSRQFDQ-KBPBESRZSA-N 0 0 335.448 2.123 10 10 EECERN CC[C@@]1(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCOC1 ZINC000854299137 1292710142 /nfs/dbraw/zinc/71/01/42/1292710142.db2.gz MFHUSRVHIFSCDP-KBXCAEBGSA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC(C)(CO)CC3)C2)cc1 ZINC000854300396 1292711278 /nfs/dbraw/zinc/71/12/78/1292711278.db2.gz YZVGVJDVCCCMNS-HNNXBMFYSA-N 0 0 347.459 2.078 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(CCCCO)C3CC3)C2)cc1 ZINC000854300737 1292712304 /nfs/dbraw/zinc/71/23/04/1292712304.db2.gz ZDBLILCBJYPCTG-OAHLLOKOSA-N 0 0 347.459 2.220 10 10 EECERN CC[C@H](C)[C@@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854302058 1292712486 /nfs/dbraw/zinc/71/24/86/1292712486.db2.gz XLYNFLJHMIGLNY-KHYOSLBOSA-N 0 0 349.475 2.370 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](C)[C@H]1CCCO1 ZINC000854987250 1293021697 /nfs/dbraw/zinc/02/16/97/1293021697.db2.gz AHLXANOFHBAFBN-WMLDXEAASA-N 0 0 349.427 2.489 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C2)cc1 ZINC000855225763 1293117940 /nfs/dbraw/zinc/11/79/40/1293117940.db2.gz QDHCPCMHFWBMBL-FZMZJTMJSA-N 0 0 346.349 2.358 10 10 EECERN Cc1cc(CC(=O)N(C[C@@H](C)O)[C@@H](C)CO)c(C)n1-c1ccccc1 ZINC000857188045 1293751042 /nfs/dbraw/zinc/75/10/42/1293751042.db2.gz KEOBLOFCBWIFBB-JKSUJKDBSA-N 0 0 344.455 2.227 10 10 EECERN Cn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c(Br)n1 ZINC000858121075 1294013037 /nfs/dbraw/zinc/01/30/37/1294013037.db2.gz UASQCRCQQKDLAX-UHFFFAOYSA-N 0 0 341.165 2.086 10 10 EECERN Cc1nn(C)c(C)c1CCCNC(=O)NCc1cc(C)ccc1O ZINC000858345091 1294090772 /nfs/dbraw/zinc/09/07/72/1294090772.db2.gz GTDJNGUSBNZKNT-UHFFFAOYSA-N 0 0 330.432 2.483 10 10 EECERN CC(=O)N[C@@H](CCC(C)C)C(=O)NCc1ccc2cccnc2c1O ZINC000862025512 1295660892 /nfs/dbraw/zinc/66/08/92/1295660892.db2.gz WVHORYVJNDYHDD-INIZCTEOSA-N 0 0 343.427 2.498 10 10 EECERN O=C(CCCCN1CCOCC1)NCc1ccc2cccnc2c1O ZINC000862026661 1295660952 /nfs/dbraw/zinc/66/09/52/1295660952.db2.gz WHZOBWRJRYYODI-UHFFFAOYSA-N 0 0 343.427 2.059 10 10 EECERN CN(C)c1cc(F)c(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1F ZINC000862386722 1295821153 /nfs/dbraw/zinc/82/11/53/1295821153.db2.gz AOGPIJKUVJZPAL-ZBFHGGJFSA-N 0 0 344.427 2.182 10 10 EECERN O=C(NC[C@H]1CCC2(CCOCC2)O1)N1Cc2cccc(O)c2C1 ZINC000927188970 1297059189 /nfs/dbraw/zinc/05/91/89/1297059189.db2.gz XSOHULGBCZDOBG-CQSZACIVSA-N 0 0 332.400 2.146 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CC3)CC2)cc1F ZINC000797580116 1304779214 /nfs/dbraw/zinc/77/92/14/1304779214.db2.gz NVMPPIIVUZGOSW-GOEBONIOSA-N 0 0 333.407 2.464 10 10 EECERN CNC(=O)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000797766800 1304827363 /nfs/dbraw/zinc/82/73/63/1304827363.db2.gz QXYWWDLPWAQSLR-TUPIDYKKSA-N 0 0 340.379 2.105 10 10 EECERN C[C@H](O)CN(c1nnc(C2SC=CC2=O)n1CC1CC1)C1CC1 ZINC001123424080 1310562964 /nfs/dbraw/zinc/56/29/64/1310562964.db2.gz MDKCQQFGPRRAET-JTQLQIEISA-N 0 0 334.445 2.472 10 10 EECERN C=C/C=C\CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001142566015 1315663433 /nfs/dbraw/zinc/66/34/33/1315663433.db2.gz SYKBCURWSRPFEM-PLNGDYQASA-N 0 0 329.444 2.066 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOc2ccccc2[C@@H]1CO ZINC001156696399 1318165741 /nfs/dbraw/zinc/16/57/41/1318165741.db2.gz PMBVKYARXLFIHT-LYASGUKUSA-N 0 0 341.363 2.066 10 10 EECERN Cc1[nH+][n-]c2nnc(NC(=O)C=Cc3ccc(O)c(O)c3)c-2c1C ZINC001157404183 1318610135 /nfs/dbraw/zinc/61/01/35/1318610135.db2.gz VGCXGIUHKNPTNL-XQRVVYSFSA-N 0 0 325.328 2.033 10 10 EECERN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001293870471 1328830674 /nfs/dbraw/zinc/83/06/74/1328830674.db2.gz OGNPOERYNWFKFH-MJGOQNOKSA-N 0 0 327.380 2.495 10 10 EECERN CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C(F)(F)F)O1 ZINC001160133284 1320080112 /nfs/dbraw/zinc/08/01/12/1320080112.db2.gz XMOBHCUVUWDHDO-GFCCVEGCSA-N 0 0 333.306 2.209 10 10 EECERN Cn1c(=O)[nH]c2cc(C(=O)NCc3ccc4cccnc4c3O)ccc21 ZINC001162612411 1320912288 /nfs/dbraw/zinc/91/22/88/1320912288.db2.gz JAVHYBCAHYLJNU-UHFFFAOYSA-N 0 0 348.362 2.463 10 10 EECERN CC(C)C(=O)N[C@H](C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001286181865 1327327500 /nfs/dbraw/zinc/32/75/00/1327327500.db2.gz KRGCBSNJFPILFL-LLVKDONJSA-N 0 0 345.403 2.082 10 10 EECERN C[C@@H](NC(=O)c1ccc(O)cn1)c1ccc(N2CCOCC2)cc1 ZINC001292236596 1328373087 /nfs/dbraw/zinc/37/30/87/1328373087.db2.gz YERQKMGJRKFYPX-CYBMUJFWSA-N 0 0 327.384 2.115 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001295782515 1329842850 /nfs/dbraw/zinc/84/28/50/1329842850.db2.gz CDPZBIADGNXEFU-INIZCTEOSA-N 0 0 327.380 2.110 10 10 EECERN CC(C)=CC(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001492264217 1331124914 /nfs/dbraw/zinc/12/49/14/1331124914.db2.gz UKJOTTIBNNAXII-UHFFFAOYSA-N 0 0 345.403 2.394 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001303226145 1331350754 /nfs/dbraw/zinc/35/07/54/1331350754.db2.gz XZMZOUXXGKLDQL-UHFFFAOYSA-N 0 0 327.296 2.417 10 10 EECERN O=C(NCc1c(O)cccc1O)c1c(C(F)F)nc2n1CCCC2 ZINC001304054481 1331375423 /nfs/dbraw/zinc/37/54/23/1331375423.db2.gz QEFOWWGQQMFCGM-UHFFFAOYSA-N 0 0 337.326 2.498 10 10 EECERN CCN(Cc1cccs1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330385164 1334833493 /nfs/dbraw/zinc/83/34/93/1334833493.db2.gz KIKDKMAAGPOGHJ-UHFFFAOYSA-N 0 0 330.409 2.345 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCOCCCO)c1 ZINC001331570680 1335038536 /nfs/dbraw/zinc/03/85/36/1335038536.db2.gz VTFMLAOAJCFWKF-UHFFFAOYSA-N 0 0 344.411 2.035 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)cc1 ZINC001354415109 1338506487 /nfs/dbraw/zinc/50/64/87/1338506487.db2.gz ROCBYFMBYVYHBO-CGTJXYLNSA-N 0 0 343.471 2.454 10 10 EECERN CC(C)CC(=O)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001357149388 1338967255 /nfs/dbraw/zinc/96/72/55/1338967255.db2.gz ABDZEUWZRGMBPH-UHFFFAOYSA-N 0 0 347.419 2.426 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC001618723951 1352353044 /nfs/dbraw/zinc/35/30/44/1352353044.db2.gz RHGBLODLUVUWOC-OAHLLOKOSA-N 0 0 339.750 2.283 10 10 EECERN COc1ncc(/C=C/C(=O)N2CCCc3c4ncn(C)c4ccc32)cn1 ZINC001558824801 1342489348 /nfs/dbraw/zinc/48/93/48/1342489348.db2.gz OGWBTFYVGOPZHC-VMPITWQZSA-N 0 0 349.394 2.365 10 10 EECERN C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccccc1O ZINC001560074978 1342506528 /nfs/dbraw/zinc/50/65/28/1342506528.db2.gz NHFVCILGBSQKEL-LLVKDONJSA-N 0 0 331.397 2.065 10 10 EECERN C[C@@H](CNC(=O)C1=CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001579408129 1344380317 /nfs/dbraw/zinc/38/03/17/1344380317.db2.gz LZGRFEQXHMAALR-NSHDSACASA-N 0 0 343.387 2.194 10 10 EECERN CC/C=C(/C)C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001584044631 1348717903 /nfs/dbraw/zinc/71/79/03/1348717903.db2.gz NLOGPPGUXRHLKY-AAOPEYHZSA-N 0 0 345.403 2.440 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC001593881243 1349873076 /nfs/dbraw/zinc/87/30/76/1349873076.db2.gz HULACUAHKNEZGV-SJLPKXTDSA-N 0 0 329.352 2.218 10 10 EECERN COc1cc2c(cc1NC(=O)Cc1ccc(O)c(O)c1)NC(=O)CC2 ZINC001624766507 1352430081 /nfs/dbraw/zinc/43/00/81/1352430081.db2.gz ZNPUBMLNGBXZAF-UHFFFAOYSA-N 0 0 342.351 2.172 10 10 EECERN COC(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1OC ZINC001628379333 1352532291 /nfs/dbraw/zinc/53/22/91/1352532291.db2.gz KHMWUECSDHKQSD-UHFFFAOYSA-N 0 0 331.324 2.074 10 10 EECERN Cc1cncc(N(Cc2ncc[nH]2)C(=O)/C=C/c2cncc(O)c2)c1 ZINC001629325480 1352552352 /nfs/dbraw/zinc/55/23/52/1352552352.db2.gz JOZOATNQEPPCHA-NSCUHMNNSA-N 0 0 335.367 2.460 10 10 EECERN Cn1cc(-c2ccccc2CNC(=O)Cc2ccc(O)c(O)c2)cn1 ZINC001632255364 1352595341 /nfs/dbraw/zinc/59/53/41/1352595341.db2.gz AREXPGFHDFMBGN-UHFFFAOYSA-N 0 0 337.379 2.357 10 10 EECERN C[C@@H](CC(=O)NCc1c(O)cccc1F)NC(=O)c1ccccc1 ZINC001652295265 1354085848 /nfs/dbraw/zinc/08/58/48/1354085848.db2.gz FFQANOWJRADMJT-LBPRGKRZSA-N 0 0 330.359 2.356 10 10 EECERN O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1c(O)cccc1F ZINC001681035057 1357944986 /nfs/dbraw/zinc/94/49/86/1357944986.db2.gz LQJQSZZKSATEGG-UHFFFAOYSA-N 0 0 333.319 2.481 10 10 EECERN C[C@H](NC(=O)NCc1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC001681119449 1357953669 /nfs/dbraw/zinc/95/36/69/1357953669.db2.gz RBMGIRNNNPINDU-LBPRGKRZSA-N 0 0 348.424 2.356 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC1CC(CC(N)=O)C1 ZINC001685219146 1358313966 /nfs/dbraw/zinc/31/39/66/1358313966.db2.gz PIEZJAOLQFLMJA-UHFFFAOYSA-N 0 0 344.459 2.082 10 10 EECERN CCOCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)no1 ZINC001686651657 1358439828 /nfs/dbraw/zinc/43/98/28/1358439828.db2.gz MEEXFHHZFDOASM-QWRGUYRKSA-N 0 0 334.376 2.433 10 10 EECERN C/C=C(\C)C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001688153516 1358814688 /nfs/dbraw/zinc/81/46/88/1358814688.db2.gz VRBSSZOPJBAXPU-JAIATQHYSA-N 0 0 331.376 2.050 10 10 EECERN O=C(/C=C\c1cscn1)NCc1ccc(N2CCOCC2)cc1 ZINC000098055673 1370011485 /nfs/dbraw/zinc/01/14/85/1370011485.db2.gz KORSDECHCZKHHZ-UTCJRWHESA-N 0 0 329.425 2.309 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC001167084991 757221441 /nfs/dbraw/zinc/22/14/41/757221441.db2.gz LEJWATDOBYMBFP-RISCZKNCSA-N 0 0 338.314 2.393 10 10 EECERN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C(=O)NC ZINC000834915403 759746036 /nfs/dbraw/zinc/74/60/36/759746036.db2.gz YOUITBSWFMBBJY-CPCISQLKSA-N 0 0 333.201 2.469 10 10 EECERN CCc1nc[nH]c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000906738179 784115404 /nfs/dbraw/zinc/11/54/04/784115404.db2.gz ILNBYNJYHRHPFS-UHFFFAOYSA-N 0 0 342.443 2.111 10 10 EECERN COCc1cc(O)ccc1NS(=O)(=O)C[C@H](CC(C)C)OC ZINC000817353947 784692231 /nfs/dbraw/zinc/69/22/31/784692231.db2.gz YDCHFSHXDZPVKI-AWEZNQCLSA-N 0 0 331.434 2.341 10 10 EECERN COc1ccc(N2CCCN(C(=O)[C@H](C)c3ccnn3C)CC2)cc1 ZINC000817428790 784781145 /nfs/dbraw/zinc/78/11/45/784781145.db2.gz WIFQFHAEQMKNCJ-OAHLLOKOSA-N 0 0 342.443 2.271 10 10 EECERN COc1ccc(N2CCC(NC(=O)[C@H](C)c3ccnn3C)CC2)cc1 ZINC000817430873 784782891 /nfs/dbraw/zinc/78/28/91/784782891.db2.gz FXVKBJARPWALFW-CQSZACIVSA-N 0 0 342.443 2.317 10 10 EECERN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000818362009 785256495 /nfs/dbraw/zinc/25/64/95/785256495.db2.gz NTDYCKZJBCMUBZ-KCJUWKMLSA-N 0 0 330.306 2.209 10 10 EECERN CN(C)c1ccc(CN2C(=O)N[C@@H](CCOC(C)(C)C)C2=O)cc1 ZINC000804143651 785300517 /nfs/dbraw/zinc/30/05/17/785300517.db2.gz HDILVOSSUGVOIV-HNNXBMFYSA-N 0 0 333.432 2.378 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3cn(C(C)C)nn3)C2)cc1 ZINC000819590233 785599109 /nfs/dbraw/zinc/59/91/09/785599109.db2.gz JMVWKNYQFISWOK-AWEZNQCLSA-N 0 0 343.431 2.124 10 10 EECERN Cc1cnc2c(C(=O)NCc3ccc(N(C)C)c(F)c3)cnn2c1 ZINC001136454121 786785489 /nfs/dbraw/zinc/78/54/89/786785489.db2.gz LDFHLVXXXCSQDS-UHFFFAOYSA-N 0 0 327.363 2.173 10 10 EECERN CO[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000822689380 787341334 /nfs/dbraw/zinc/34/13/34/787341334.db2.gz ZQBBVYZVKDOKJX-KRWDZBQOSA-N 0 0 336.407 2.094 10 10 EECERN O=C(Cc1cc(C2CC2)no1)NCc1ccc(N2CCOCC2)cc1 ZINC000823295235 787682675 /nfs/dbraw/zinc/68/26/75/787682675.db2.gz FESJHPRSRNODLF-UHFFFAOYSA-N 0 0 341.411 2.248 10 10 EECERN CO[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000824261589 788111682 /nfs/dbraw/zinc/11/16/82/788111682.db2.gz HAJSKINUDNNJOG-AEFFLSMTSA-N 0 0 332.444 2.345 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000824694983 788277938 /nfs/dbraw/zinc/27/79/38/788277938.db2.gz UBJPNVZYKZGBFN-OLMNPRSZSA-N 0 0 345.443 2.094 10 10 EECERN Cc1cc(CC(=O)N[C@@H]2C(=O)NCC2(C)C)c(C)n1-c1ccccc1 ZINC000912644780 788285534 /nfs/dbraw/zinc/28/55/34/788285534.db2.gz NYTRCXPUBIFUEB-GOSISDBHSA-N 0 0 339.439 2.277 10 10 EECERN COc1ccc(N2CCN(Cc3cn(C4CCC4)nn3)CC2)cc1F ZINC000824920005 788357638 /nfs/dbraw/zinc/35/76/38/788357638.db2.gz DHULRSQFSHTPGK-UHFFFAOYSA-N 0 0 345.422 2.473 10 10 EECERN COc1ccc(N(C)CCN(C)Cc2nnnn2C(C)(C)C)cc1 ZINC000844402444 789070587 /nfs/dbraw/zinc/07/05/87/789070587.db2.gz XMNGZRPTPWLDDV-UHFFFAOYSA-N 0 0 332.452 2.005 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(C)(C)OC)C2)cc1 ZINC000923185760 789079357 /nfs/dbraw/zinc/07/93/57/789079357.db2.gz PZARFYQXSQNBCK-KGLIPLIRSA-N 0 0 335.448 2.387 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC23CCCC3)cc1 ZINC000846283862 790115218 /nfs/dbraw/zinc/11/52/18/790115218.db2.gz JCKNSKIIDNPVAA-UHFFFAOYSA-N 0 0 329.444 2.256 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000846558457 790252102 /nfs/dbraw/zinc/25/21/02/790252102.db2.gz GHHNJPPZDADPJQ-HKARXFIJSA-N 0 0 328.437 2.440 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCCOC1 ZINC000171598175 791407310 /nfs/dbraw/zinc/40/73/10/791407310.db2.gz XRNICDYLSLAMEW-HNNXBMFYSA-N 0 0 335.473 2.218 10 10 EECERN CO[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000786113532 806689907 /nfs/dbraw/zinc/68/99/07/806689907.db2.gz QPZLOCGIVBDCKH-RRFJBIMHSA-N 0 0 335.448 2.307 10 10 EECERN Cc1cnc2c(cnn2CC(=O)NCc2cccc(Cl)c2O)c1 ZINC001180420208 800425694 /nfs/dbraw/zinc/42/56/94/800425694.db2.gz IMZGSKYQQGNQFX-UHFFFAOYSA-N 0 0 330.775 2.415 10 10 EECERN Cn1cc(CCNC(=O)c2c(F)ccc(O)c2O)c2cccnc21 ZINC001184151935 801895553 /nfs/dbraw/zinc/89/55/53/801895553.db2.gz AFZNNWKUCOULIO-UHFFFAOYSA-N 0 0 329.331 2.096 10 10 EECERN COCCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000787320151 807087925 /nfs/dbraw/zinc/08/79/25/807087925.db2.gz XPQVNTVNSOJLOL-WMLDXEAASA-N 0 0 335.448 2.261 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C/c1ncc(C(F)(F)F)s1 ZINC000788349630 807484578 /nfs/dbraw/zinc/48/45/78/807484578.db2.gz MFUZRUDDTSSGJQ-FNORWQNLSA-N 0 0 349.359 2.464 10 10 EECERN CC1CCN(c2ccc(CNC(=O)N[C@H]3[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000792997844 810101356 /nfs/dbraw/zinc/10/13/56/810101356.db2.gz NIWDXAXPQOYVLX-PIIMJCKOSA-N 0 0 329.444 2.367 10 10 EECERN COc1ccc(CNC(=O)NCC[C@@H](OC)C(F)(F)F)c(O)c1 ZINC000793072514 810127203 /nfs/dbraw/zinc/12/72/03/810127203.db2.gz FSTMWKOZHKLMIF-GFCCVEGCSA-N 0 0 336.310 2.167 10 10 EECERN COC[C@H](NC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000805225055 811200504 /nfs/dbraw/zinc/20/05/04/811200504.db2.gz IQRQGNZNYQXTJK-LBPRGKRZSA-N 0 0 343.221 2.379 10 10 EECERN O=C(NCc1cc(Br)ccc1O)Nc1ccncc1F ZINC000806380306 811839299 /nfs/dbraw/zinc/83/92/99/811839299.db2.gz OBIKACMADAWEBD-UHFFFAOYSA-N 0 0 340.152 2.432 10 10 EECERN CC(=O)C(=O)COC(=O)COc1ccc(Br)cc1Cl ZINC000808496351 812664662 /nfs/dbraw/zinc/66/46/62/812664662.db2.gz LICVLIXHYOXOJM-UHFFFAOYSA-N 0 0 349.564 2.183 10 10 EECERN CC(=O)C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000808495231 812664810 /nfs/dbraw/zinc/66/48/10/812664810.db2.gz ONQSCALLLFAKHI-UHFFFAOYSA-N 0 0 349.346 2.249 10 10 EECERN CNC(=O)Nc1ccc(C(=O)NCc2cccc(OC)c2O)cc1 ZINC001566374357 1125598383 /nfs/dbraw/zinc/59/83/83/1125598383.db2.gz FUVSUGOMYCQWDL-UHFFFAOYSA-N 0 0 329.356 2.082 10 10 EECERN COCCc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)n(C)n1 ZINC001566384468 1125598842 /nfs/dbraw/zinc/59/88/42/1125598842.db2.gz RAVPBDGVRPSICS-UHFFFAOYSA-N 0 0 330.348 2.024 10 10 EECERN COC(=O)CN(CCC(F)(F)F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001445503320 1091280803 /nfs/dbraw/zinc/28/08/03/1091280803.db2.gz ZODGBTUQPVLWNZ-HWKANZROSA-N 0 0 347.289 2.065 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2cccc3c2CCNC3=O)cc1 ZINC001451429085 1097638074 /nfs/dbraw/zinc/63/80/74/1097638074.db2.gz SWECTJMJQPENHY-UHFFFAOYSA-N 0 0 337.339 2.387 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1nccc(C(F)(F)F)n1 ZINC001451527984 1097679055 /nfs/dbraw/zinc/67/90/55/1097679055.db2.gz UHGYXSAEHKQHGL-RQOWECAXSA-N 0 0 339.273 2.236 10 10 EECERN COc1ccnc(OC)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC001443823712 1098325993 /nfs/dbraw/zinc/32/59/93/1098325993.db2.gz RIVZRNXEAGRHCU-UHFFFAOYSA-N 0 0 329.400 2.403 10 10 EECERN COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccc(C)c(C)c1 ZINC001448169056 1104129791 /nfs/dbraw/zinc/12/97/91/1104129791.db2.gz PWERXOWTZMPGNY-OAHLLOKOSA-N 0 0 329.352 2.359 10 10 EECERN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCN1CCNC1=O ZINC001455872630 1108961373 /nfs/dbraw/zinc/96/13/73/1108961373.db2.gz MOJILSCNLBQHEJ-UHFFFAOYSA-N 0 0 340.427 2.158 10 10 EECERN COC(=O)c1ccc(CC(=O)NCc2cccc(Cl)c2O)cn1 ZINC001457037167 1109424952 /nfs/dbraw/zinc/42/49/52/1109424952.db2.gz QDJRGQCRFFQPLL-UHFFFAOYSA-N 0 0 334.759 2.086 10 10 EECERN CS(=O)(=O)c1ccc(NCc2cc(O)ccc2O)c([N+](=O)[O-])c1 ZINC001458575114 1109897417 /nfs/dbraw/zinc/89/74/17/1109897417.db2.gz WPQSBCCIHQVYHO-UHFFFAOYSA-N 0 0 338.341 2.022 10 10 EECERN Oc1cccc(O)c1CNc1cc(C(F)(F)F)nc2ncnn21 ZINC001458637729 1109918426 /nfs/dbraw/zinc/91/84/26/1109918426.db2.gz FXFWWXDUQPAVOH-UHFFFAOYSA-N 0 0 325.250 2.166 10 10 EECERN O=C(Cc1cccnc1Br)NCc1ccc(O)c(O)c1 ZINC001465954988 1110427208 /nfs/dbraw/zinc/42/72/08/1110427208.db2.gz UUQAAKMXTRDPBG-UHFFFAOYSA-N 0 0 337.173 2.114 10 10 EECERN COc1cc(OC)c(C(=O)NCc2ccc(O)cc2O)cc1OC ZINC001469152951 1110486049 /nfs/dbraw/zinc/48/60/49/1110486049.db2.gz OGRKKAIDBDKWEV-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN Cc1csc(=O)n1CCC(=O)NCc1ccc2cccnc2c1O ZINC001469249913 1110487915 /nfs/dbraw/zinc/48/79/15/1110487915.db2.gz PSPCFPJNEFSXKE-UHFFFAOYSA-N 0 0 343.408 2.179 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC001471025108 1110516003 /nfs/dbraw/zinc/51/60/03/1110516003.db2.gz TWBOZRFROYYRNP-UHFFFAOYSA-N 0 0 341.367 2.179 10 10 EECERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cccc(O)c1O ZINC001471642164 1110526685 /nfs/dbraw/zinc/52/66/85/1110526685.db2.gz MBVZIEISJJJZCM-QWRGUYRKSA-N 0 0 338.404 2.263 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC001471661680 1110527801 /nfs/dbraw/zinc/52/78/01/1110527801.db2.gz XWLPLLXOXCOADI-UHFFFAOYSA-N 0 0 328.299 2.421 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC1(c2ccc3c(c2)OCCO3)CC1 ZINC001472075647 1110541358 /nfs/dbraw/zinc/54/13/58/1110541358.db2.gz VRENIPCJBJCNAF-UHFFFAOYSA-N 0 0 341.363 2.217 10 10 EECERN Cc1cc(CC(=O)OC[C@H]2CCC(=O)N2)c(C)n1-c1ccccc1 ZINC001518133862 1119052138 /nfs/dbraw/zinc/05/21/38/1119052138.db2.gz BQNUSNQXYNUFET-MRXNPFEDSA-N 0 0 326.396 2.458 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cn2c(n1)COCC2 ZINC001523559406 1119811241 /nfs/dbraw/zinc/81/12/41/1119811241.db2.gz LJMANVRLZJCLAQ-UHFFFAOYSA-N 0 0 340.427 2.286 10 10 EECERN COCCCOc1cccc(C(=O)NCc2cccc(O)c2O)c1 ZINC001528771143 1121163416 /nfs/dbraw/zinc/16/34/16/1121163416.db2.gz LBAHWWVYDNVOQX-UHFFFAOYSA-N 0 0 331.368 2.443 10 10 EECERN COc1ncc(/C=C\C(=O)N2CCOc3c(F)cc(F)cc32)cn1 ZINC001531035782 1122231412 /nfs/dbraw/zinc/23/14/12/1122231412.db2.gz CCHBOBTYLWJFRI-IHWYPQMZSA-N 0 0 333.294 2.202 10 10 EECERN COC[C@@H](OC)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001534009573 1123284864 /nfs/dbraw/zinc/28/48/64/1123284864.db2.gz OEPMNCVYIBRJMA-MRXNPFEDSA-N 0 0 339.347 2.062 10 10 EECERN Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001540771650 1124093214 /nfs/dbraw/zinc/09/32/14/1124093214.db2.gz SRECPXDTCWNIJX-ZDUSSCGKSA-N 0 0 326.360 2.390 10 10 EECERN COC(=O)c1ccc(/C=C/C(=O)NCc2ccc(OC)cc2O)o1 ZINC001568098336 1124302046 /nfs/dbraw/zinc/30/20/46/1124302046.db2.gz WZYGOWNFNLWOGY-SOFGYWHQSA-N 0 0 331.324 2.110 10 10 EECERN COc1ccc(CNC(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)c(O)c1 ZINC001568100394 1124302835 /nfs/dbraw/zinc/30/28/35/1124302835.db2.gz UAOPDAAJJCQIIM-CQSZACIVSA-N 0 0 344.342 2.282 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCOC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000159646769 463297842 /nfs/dbraw/zinc/29/78/42/463297842.db2.gz CBXIIPUXFYTHOF-LERPRCHQSA-N 0 0 332.356 2.396 10 10 EECERN O=C(c1cccc(O)c1O)N1CCC(c2nnc3ccccn32)CC1 ZINC000040817235 463466064 /nfs/dbraw/zinc/46/60/64/463466064.db2.gz YHXYWNNCBZYSNC-UHFFFAOYSA-N 0 0 338.367 2.160 10 10 EECERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000171486181 463873567 /nfs/dbraw/zinc/87/35/67/463873567.db2.gz YIOUIUYHNRSMIA-QGZVFWFLSA-N 0 0 325.412 2.445 10 10 EECERN C[C@H]1COCC[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277207166 463906312 /nfs/dbraw/zinc/90/63/12/463906312.db2.gz JYVNPQGCXDQEJC-GWCFXTLKSA-N 0 0 338.791 2.235 10 10 EECERN CO[C@@H](C)[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000277580389 463921477 /nfs/dbraw/zinc/92/14/77/463921477.db2.gz SIAJCMBNEATSMY-IUCAKERBSA-N 0 0 331.210 2.377 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000279617689 464117909 /nfs/dbraw/zinc/11/79/09/464117909.db2.gz XSYZWOUOLBEZLI-HXUWFJFHSA-N 0 0 337.423 2.446 10 10 EECERN CO[C@@H](C)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000280005331 464180989 /nfs/dbraw/zinc/18/09/89/464180989.db2.gz GGEDACMWWFTEJS-UWVGGRQHSA-N 0 0 326.780 2.233 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(Cn2cccn2)CC1 ZINC000181107561 464446271 /nfs/dbraw/zinc/44/62/71/464446271.db2.gz HJAWSOCVMXOZGB-HWKANZROSA-N 0 0 327.384 2.246 10 10 EECERN Cc1nccn1C[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181162493 464452316 /nfs/dbraw/zinc/45/23/16/464452316.db2.gz GWKRHNGHGVYUTO-KEDPEKRHSA-N 0 0 327.384 2.307 10 10 EECERN CN(C)c1ccc(CNC(=O)NC[C@H](CO)c2ccccc2)cc1 ZINC000175184471 464500328 /nfs/dbraw/zinc/50/03/28/464500328.db2.gz QQYOJCZNYRUVJT-QGZVFWFLSA-N 0 0 327.428 2.328 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1F ZINC000246585167 464602843 /nfs/dbraw/zinc/60/28/43/464602843.db2.gz OYSXSXWZCCRFBW-WBVHZDCISA-N 0 0 336.407 2.441 10 10 EECERN Cc1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)c(O)c1O ZINC000182852880 464743288 /nfs/dbraw/zinc/74/32/88/464743288.db2.gz KJKJYGMNIXIDPI-UHFFFAOYSA-N 0 0 329.400 2.235 10 10 EECERN COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274807191 464755723 /nfs/dbraw/zinc/75/57/23/464755723.db2.gz SZZDXBGEXSUQJF-AWEZNQCLSA-N 0 0 343.427 2.483 10 10 EECERN COC(=O)c1coc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000183709251 464900956 /nfs/dbraw/zinc/90/09/56/464900956.db2.gz CIYJGNVVGGBCPD-UHFFFAOYSA-N 0 0 344.367 2.037 10 10 EECERN CC(=O)c1cc(F)cc(CN2c3ccccc3C[C@H]2C(N)=O)c1O ZINC000177270412 464974698 /nfs/dbraw/zinc/97/46/98/464974698.db2.gz GFQLOEVSBHEZRT-INIZCTEOSA-N 0 0 328.343 2.151 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCOC[C@@H]2C2CC2)cc1Cl ZINC000367351244 466282137 /nfs/dbraw/zinc/28/21/37/466282137.db2.gz FDUOQWYSQMAWOT-OAHLLOKOSA-N 0 0 338.835 2.422 10 10 EECERN Cc1cn2c(n1)CN(C(=O)NCc1ccc3c(c1)CCCN3C)CC2 ZINC000376296776 466904240 /nfs/dbraw/zinc/90/42/40/466904240.db2.gz SNRFJPLHRPFXIY-UHFFFAOYSA-N 0 0 339.443 2.299 10 10 EECERN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnn1 ZINC000528858773 467769075 /nfs/dbraw/zinc/76/90/75/467769075.db2.gz CFSYUKLRJCGXFN-AWEZNQCLSA-N 0 0 346.818 2.230 10 10 EECERN COCc1cncc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000680900043 486080412 /nfs/dbraw/zinc/08/04/12/486080412.db2.gz ZUMDOKZFYRBQSH-UHFFFAOYSA-N 0 0 327.384 2.333 10 10 EECERN NC(=O)NC(=O)CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734487132 577299979 /nfs/dbraw/zinc/29/99/79/577299979.db2.gz SRGDKXVGNVESMW-UHFFFAOYSA-N 0 0 339.395 2.213 10 10 EECERN C[C@H](NC(=O)NCC[C@H](C)[S@@](C)=O)c1ccc(N(C)C)cc1 ZINC000773397975 577339729 /nfs/dbraw/zinc/33/97/29/577339729.db2.gz POTLSNAWILCCPJ-UTWWPYJBSA-N 0 0 325.478 2.270 10 10 EECERN COc1c([O-])c(C[NH2+]CCc2cn3ccccc3n2)ccc1[N+](=O)[O-] ZINC000775052154 577427851 /nfs/dbraw/zinc/42/78/51/577427851.db2.gz TZHMJWPAKXSOSJ-UHFFFAOYSA-N 0 0 342.355 2.289 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000776144154 577453052 /nfs/dbraw/zinc/45/30/52/577453052.db2.gz NVAMYRHFRVPBDL-QEJZJMRPSA-N 0 0 332.448 2.157 10 10 EECERN COCc1cc(NC(=O)NCCCSc2nccs2)ncn1 ZINC000762228838 577697699 /nfs/dbraw/zinc/69/76/99/577697699.db2.gz GTIIBIBKKMUKGM-UHFFFAOYSA-N 0 0 339.446 2.383 10 10 EECERN COc1ccc(N2CCC(NC(=O)[C@H](C)c3cncnc3)CC2)cc1 ZINC000764469681 577736924 /nfs/dbraw/zinc/73/69/24/577736924.db2.gz FGBYSTWTSACWBK-CQSZACIVSA-N 0 0 340.427 2.374 10 10 EECERN CC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000747374233 577943152 /nfs/dbraw/zinc/94/31/52/577943152.db2.gz CJXKXYKKVLAIIQ-QGZVFWFLSA-N 0 0 347.484 2.165 10 10 EECERN C[C@@H](NC(=O)N1CCO[C@H](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000914400410 683559910 /nfs/dbraw/zinc/55/99/10/683559910.db2.gz KQOHEHKUSCCDII-HZPDHXFCSA-N 0 0 347.459 2.405 10 10 EECERN C[C@@H](C[S@](C)=O)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897374378 688611255 /nfs/dbraw/zinc/61/12/55/688611255.db2.gz RJQFFPSZOHHNHP-PPRQPISWSA-N 0 0 327.427 2.152 10 10 EECERN COCC[C@@H](COC)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897802138 691787646 /nfs/dbraw/zinc/78/76/46/691787646.db2.gz XPROQNBRTOOLDT-JTQLQIEISA-N 0 0 325.386 2.094 10 10 EECERN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H](O)C(F)(F)F ZINC000899167264 693639889 /nfs/dbraw/zinc/63/98/89/693639889.db2.gz DMIRTPPMOZFMRQ-GCXOYZPQSA-N 0 0 335.303 2.354 10 10 EECERN COC(=O)[C@@](C)(NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000794711389 1197904631 /nfs/dbraw/zinc/90/46/31/1197904631.db2.gz MZIRLQCOMMYOEX-KRWDZBQOSA-N 0 0 333.315 2.055 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)OC)O2)cc1 ZINC000864926297 1198001347 /nfs/dbraw/zinc/00/13/47/1198001347.db2.gz DJXWFAVRTBVADC-JQFCIGGWSA-N 0 0 348.443 2.116 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(C(F)F)nc1 ZINC000865217128 1198127773 /nfs/dbraw/zinc/12/77/73/1198127773.db2.gz JVZBUFSLYXENIG-XFFZJAGNSA-N 0 0 325.340 2.322 10 10 EECERN COC(=O)c1cc(OCC(=O)NC2CCCCC2)ccc1N(C)C ZINC000865395771 1198194983 /nfs/dbraw/zinc/19/49/83/1198194983.db2.gz BKVXXDJNWXUDGP-UHFFFAOYSA-N 0 0 334.416 2.367 10 10 EECERN O=C1OC[C@@]2(C[NH2+]Cc3cc(Cl)cc(Cl)c3[O-])COCCN12 ZINC000865768386 1198368375 /nfs/dbraw/zinc/36/83/75/1198368375.db2.gz ICADWIBYDYONGH-CQSZACIVSA-N 0 0 347.198 2.010 10 10 EECERN COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000825709738 1198769595 /nfs/dbraw/zinc/76/95/95/1198769595.db2.gz AMSTVAGOZSPJGZ-DVVUODLYSA-N 0 0 328.206 2.442 10 10 EECERN COc1ccc2c(c1)C[C@H](C(=O)N1Cc3cccc(O)c3C1)CO2 ZINC000871199352 1201097477 /nfs/dbraw/zinc/09/74/77/1201097477.db2.gz XIHVVLZBSXPUGA-AWEZNQCLSA-N 0 0 325.364 2.494 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)[C@H](OC)C(=O)OC(C)(C)C ZINC000866598521 1201558344 /nfs/dbraw/zinc/55/83/44/1201558344.db2.gz GUZBOGLSGBCJJB-HNNXBMFYSA-N 0 0 337.416 2.488 10 10 EECERN C[C@@H](NCc1nc2c(c(=O)[nH]1)COCC2)c1ccc(N(C)C)cc1 ZINC000866627258 1201562869 /nfs/dbraw/zinc/56/28/69/1201562869.db2.gz BKSYDLJQUPYKNS-GFCCVEGCSA-N 0 0 328.416 2.172 10 10 EECERN C[C@H](NS(=O)(=O)c1cccc2c1OCCO2)c1ccccc1O ZINC000867834100 1201690371 /nfs/dbraw/zinc/69/03/71/1201690371.db2.gz LHCPSOUASRWPLY-NSHDSACASA-N 0 0 335.381 2.203 10 10 EECERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000868119376 1201747742 /nfs/dbraw/zinc/74/77/42/1201747742.db2.gz PNJAAMDFSMEEAL-ZIAGYGMSSA-N 0 0 341.415 2.211 10 10 EECERN Nc1ccc(NC(=O)C(=O)NCC2([C@H]3CCCCO3)CCC2)cc1 ZINC000868296018 1201785949 /nfs/dbraw/zinc/78/59/49/1201785949.db2.gz IWRRDEBVRNQVMB-OAHLLOKOSA-N 0 0 331.416 2.063 10 10 EECERN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)O2 ZINC000924275684 1205954097 /nfs/dbraw/zinc/95/40/97/1205954097.db2.gz QENKKONIRWBGFK-JEGWXZNWSA-N 0 0 347.411 2.200 10 10 EECERN CCN(CC(=O)NCc1c(O)cccc1F)C(=O)OC(C)(C)C ZINC000928706144 1206413478 /nfs/dbraw/zinc/41/34/78/1206413478.db2.gz RVOWGSACKYDSIC-UHFFFAOYSA-N 0 0 326.368 2.405 10 10 EECERN C[C@@H](NCc1noc2c1COCC2)c1ccc(N2CCOCC2)cc1 ZINC000930209203 1206541547 /nfs/dbraw/zinc/54/15/47/1206541547.db2.gz CXMPESLFVUBMEJ-CQSZACIVSA-N 0 0 343.427 2.435 10 10 EECERN Cn1cc([C@@H](NC(=O)N2Cc3cccc(O)c3C2)C(F)(F)F)cn1 ZINC000931099655 1206606621 /nfs/dbraw/zinc/60/66/21/1206606621.db2.gz DUGRIOXFUTZZDZ-CYBMUJFWSA-N 0 0 340.305 2.455 10 10 EECERN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)cc1 ZINC000931577018 1207417055 /nfs/dbraw/zinc/41/70/55/1207417055.db2.gz OGHNPAOQZBCACZ-LFDJNIOPSA-N 0 0 342.439 2.204 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cc(-n3ccnc3)ccn2)c1 ZINC000778914321 1208400194 /nfs/dbraw/zinc/40/01/94/1208400194.db2.gz HUPSZYWXFCTKGA-LBPRGKRZSA-N 0 0 338.367 2.473 10 10 EECERN C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000159615238 1208485522 /nfs/dbraw/zinc/48/55/22/1208485522.db2.gz XDIOMWOGDPOBDI-MWLCHTKSSA-N 0 0 327.222 2.241 10 10 EECERN Cc1cc(C(=O)NC[C@](C)(O)CO)c(C)n1-c1ccc(Cl)cc1 ZINC000801977057 1236585393 /nfs/dbraw/zinc/58/53/93/1236585393.db2.gz NLPMQVBSQODTBN-KRWDZBQOSA-N 0 0 336.819 2.221 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1F ZINC000827576019 1248469510 /nfs/dbraw/zinc/46/95/10/1248469510.db2.gz XWHZOBILYCTJNA-SOUVJXGZSA-N 0 0 347.434 2.060 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(F)c(N)c3)C2)cc1 ZINC000851639880 1277696583 /nfs/dbraw/zinc/69/65/83/1277696583.db2.gz MDHPGXJCJBIBIM-ZDUSSCGKSA-N 0 0 329.375 2.425 10 10 EECERN COc1ccc2c(c1)CCCCN2Cc1coc(S(N)(=O)=O)c1 ZINC000851883663 1291904053 /nfs/dbraw/zinc/90/40/53/1291904053.db2.gz HOMQSRAWWFXBAC-UHFFFAOYSA-N 0 0 336.413 2.279 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C3CCOCC3)C2)cc1 ZINC000852207188 1292040431 /nfs/dbraw/zinc/04/04/31/1292040431.db2.gz AYJRJXRYPQHBKS-ZBFHGGJFSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cncc(C)c3)C2)cc1 ZINC000852230352 1292053180 /nfs/dbraw/zinc/05/31/80/1292053180.db2.gz VMLLQHSWNIYPJE-INIZCTEOSA-N 0 0 340.427 2.477 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCSC3)C2)cc1 ZINC000852449652 1292116440 /nfs/dbraw/zinc/11/64/40/1292116440.db2.gz VMSOKLVDLJEODV-KBPBESRZSA-N 0 0 335.473 2.469 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cc(C)ccn3)C2)cc1 ZINC000852448968 1292116475 /nfs/dbraw/zinc/11/64/75/1292116475.db2.gz OSJXHHZBORAPSC-OAHLLOKOSA-N 0 0 340.427 2.477 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H]3CCCOC3)C2)cc1 ZINC000852455634 1292118422 /nfs/dbraw/zinc/11/84/22/1292118422.db2.gz VHBVJRLNZMBENB-CVEARBPZSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000852455601 1292118476 /nfs/dbraw/zinc/11/84/76/1292118476.db2.gz UWXPBNKZTAQZGD-ZNMIVQPWSA-N 0 0 333.432 2.093 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCOCC3)C2)cc1 ZINC000852454914 1292118555 /nfs/dbraw/zinc/11/85/55/1292118555.db2.gz RBQJVBNUDMQDQK-GJZGRUSLSA-N 0 0 333.432 2.142 10 10 EECERN Cn1ncc2c1CC(C)(C)CN(C(=O)NCCc1ccc(N)cc1)C2 ZINC000852966269 1292243520 /nfs/dbraw/zinc/24/35/20/1292243520.db2.gz OLDYLVPKGUZJTA-UHFFFAOYSA-N 0 0 341.459 2.339 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@](C)(O)CC3)C2)cc1 ZINC000854297050 1292709507 /nfs/dbraw/zinc/70/95/07/1292709507.db2.gz JBKMZHUXSDPLSR-BEFAXECRSA-N 0 0 347.459 2.220 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@@H](CO)CC3)C2)cc1 ZINC000854298973 1292710305 /nfs/dbraw/zinc/71/03/05/1292710305.db2.gz CZAVNOMFBJAOHF-XHSDSOJGSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)CCCCCO)C2)cc1 ZINC000854299830 1292710931 /nfs/dbraw/zinc/71/09/31/1292710931.db2.gz RXDFGMQUMRSMTA-OAHLLOKOSA-N 0 0 335.448 2.078 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C)CC3(O)CCCC3)C2)cc1 ZINC000854300545 1292711459 /nfs/dbraw/zinc/71/14/59/1292711459.db2.gz VLUXKHQDNHLMDJ-OAHLLOKOSA-N 0 0 347.459 2.220 10 10 EECERN CCN(CCOCCO)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854345163 1292739061 /nfs/dbraw/zinc/73/90/61/1292739061.db2.gz YDILHUSKHAZTNT-UHFFFAOYSA-N 0 0 344.455 2.494 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc4c([nH]3)CCOC4)C2)cc1 ZINC000855226307 1293118626 /nfs/dbraw/zinc/11/86/26/1293118626.db2.gz RBCFPJKFHRHIOX-AWEZNQCLSA-N 0 0 341.411 2.105 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)c3cnn(C)c3)C2)cc1 ZINC000855226271 1293118984 /nfs/dbraw/zinc/11/89/84/1293118984.db2.gz QWQCBAUZWQDREM-GOEBONIOSA-N 0 0 342.443 2.317 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)cc1 ZINC000855232370 1293122196 /nfs/dbraw/zinc/12/21/96/1293122196.db2.gz QQJCISJJYCSRPE-ZDUSSCGKSA-N 0 0 326.400 2.304 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccn(C3CCOCC3)n2)cc1 ZINC000858161395 1294028014 /nfs/dbraw/zinc/02/80/14/1294028014.db2.gz OYEYQDDOMWHIRB-UHFFFAOYSA-N 0 0 328.416 2.231 10 10 EECERN COC[C@]1(C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000858368020 1294097228 /nfs/dbraw/zinc/09/72/28/1294097228.db2.gz BBGGYWVUIWDAKO-KDOFPFPSSA-N 0 0 335.448 2.261 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1OC ZINC000858794668 1294228901 /nfs/dbraw/zinc/22/89/01/1294228901.db2.gz RDWXUERJWRQGJX-JQLIAFOBSA-N 0 0 340.401 2.102 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@H]3CO[C@H](C4CC4)C3)ccc21 ZINC000858912787 1294260860 /nfs/dbraw/zinc/26/08/60/1294260860.db2.gz ZVXAAPVUYLUWEQ-AEFFLSMTSA-N 0 0 329.444 2.436 10 10 EECERN CO[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000858982388 1294284182 /nfs/dbraw/zinc/28/41/82/1294284182.db2.gz XULDIOXDSKAJEE-XYPYZODXSA-N 0 0 329.194 2.131 10 10 EECERN CN(C)c1cc(F)c(CN2CCN3C(=O)OCC[C@@H]3C2)cc1F ZINC000862251997 1295770819 /nfs/dbraw/zinc/77/08/19/1295770819.db2.gz BPKDKLBXKRPZPQ-GFCCVEGCSA-N 0 0 325.359 2.057 10 10 EECERN CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000862489103 1295858228 /nfs/dbraw/zinc/85/82/28/1295858228.db2.gz ZLLYVAFZUSMCIK-LBPRGKRZSA-N 0 0 336.344 2.051 10 10 EECERN CN(C)c1cc(F)c(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000862526238 1295866729 /nfs/dbraw/zinc/86/67/29/1295866729.db2.gz QOOMFTQUMNQIAM-OLZOCXBDSA-N 0 0 344.427 2.182 10 10 EECERN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000862536738 1295870930 /nfs/dbraw/zinc/87/09/30/1295870930.db2.gz UAWITJZKMDDCGX-INIZCTEOSA-N 0 0 347.846 2.431 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(F)cn1 ZINC000798153385 1304931390 /nfs/dbraw/zinc/93/13/90/1304931390.db2.gz QNHFDJSPLUWMKA-UHFFFAOYSA-N 0 0 343.402 2.258 10 10 EECERN CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC001160759372 1320259689 /nfs/dbraw/zinc/25/96/89/1320259689.db2.gz OTIFTVLLRYIFOC-NSHDSACASA-N 0 0 348.378 2.429 10 10 EECERN C[C@@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCC(=O)N1 ZINC001125159481 1314439960 /nfs/dbraw/zinc/43/99/60/1314439960.db2.gz ADCBCUPRUVSKDE-FQEVSTJZSA-N 0 0 348.358 2.069 10 10 EECERN C[C@@H](NC(=O)c1cccnc1OCCO)c1ccc(N(C)C)cc1 ZINC001138363293 1314605728 /nfs/dbraw/zinc/60/57/28/1314605728.db2.gz MBJNJINJGFCIAW-CYBMUJFWSA-N 0 0 329.400 2.010 10 10 EECERN Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(F)cc1 ZINC000839927295 1315260467 /nfs/dbraw/zinc/26/04/67/1315260467.db2.gz WTUZFRRQYCNIBV-RDTXWAMCSA-N 0 0 346.402 2.455 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1CCC[C@H]1O ZINC000840483802 1315369719 /nfs/dbraw/zinc/36/97/19/1315369719.db2.gz LGNGAMKCCHBIEJ-UWWQBHOKSA-N 0 0 333.476 2.452 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000840630305 1315385076 /nfs/dbraw/zinc/38/50/76/1315385076.db2.gz DAWOBXQQMXPDFI-SECBINFHSA-N 0 0 332.274 2.465 10 10 EECERN COc1c(C)cc(CN(C)C(=O)C(=O)Nc2ccc(N)cc2)cc1C ZINC000841026406 1315458191 /nfs/dbraw/zinc/45/81/91/1315458191.db2.gz ANCALPGUWIEYLR-UHFFFAOYSA-N 0 0 341.411 2.491 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001150378489 1316248060 /nfs/dbraw/zinc/24/80/60/1316248060.db2.gz SBSZPSAMHQYEID-CQSZACIVSA-N 0 0 341.285 2.466 10 10 EECERN O=C(NCc1ccccc1O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001150537217 1316291959 /nfs/dbraw/zinc/29/19/59/1316291959.db2.gz YEFUTZIMDVRLCE-UHFFFAOYSA-N 0 0 341.335 2.319 10 10 EECERN COc1cccc(CNC(=O)c2cc(-c3cccnc3)nn2C)c1O ZINC001150542780 1316294703 /nfs/dbraw/zinc/29/47/03/1316294703.db2.gz DZYARWDLHKBYOO-UHFFFAOYSA-N 0 0 338.367 2.126 10 10 EECERN C/C=C/C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OCC ZINC001153950407 1316922805 /nfs/dbraw/zinc/92/28/05/1316922805.db2.gz MCPQJLDQFPTFBB-ULMHXDBESA-N 0 0 332.360 2.477 10 10 EECERN CC(=O)c1cncc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC001262152908 1322249108 /nfs/dbraw/zinc/24/91/08/1322249108.db2.gz LAPFITGWRCGJKU-UHFFFAOYSA-N 0 0 339.395 2.051 10 10 EECERN Cc1cccc2ncc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)n21 ZINC001296246106 1329877332 /nfs/dbraw/zinc/87/73/32/1329877332.db2.gz KZMLGFVNEBSBRX-NSHDSACASA-N 0 0 325.368 2.415 10 10 EECERN COc1ccc(CNC(=O)c2cc(-n3ccnn3)ccc2F)c(O)c1 ZINC001296967358 1329935299 /nfs/dbraw/zinc/93/52/99/1329935299.db2.gz AQRIWIFZXPNAGN-UHFFFAOYSA-N 0 0 342.330 2.051 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)[C@@]12CCC(=O)N1CCS2 ZINC001304090111 1331376788 /nfs/dbraw/zinc/37/67/88/1331376788.db2.gz YBMHGAIVSFIJSR-SFHVURJKSA-N 0 0 342.420 2.227 10 10 EECERN C[C@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001322541523 1333278903 /nfs/dbraw/zinc/27/89/03/1333278903.db2.gz WGZGNZCIUFJMGP-DOTOQJQBSA-N 0 0 343.471 2.311 10 10 EECERN C[C@@H](NC(=O)C(=O)NC[C@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC001325738813 1333950528 /nfs/dbraw/zinc/95/05/28/1333950528.db2.gz PJURXQCZQBBWGM-CZUORRHYSA-N 0 0 347.459 2.004 10 10 EECERN COc1ccc(N2CC[C@@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)cc1 ZINC001330060809 1334771401 /nfs/dbraw/zinc/77/14/01/1334771401.db2.gz TXUURRZHQIQMRJ-GFCCVEGCSA-N 0 0 329.360 2.393 10 10 EECERN C[C@@H](NC(=O)C(=O)N1CCCSC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001332949613 1335936367 /nfs/dbraw/zinc/93/63/67/1335936367.db2.gz WWSMNOZJIIYBAO-UONOGXRCSA-N 0 0 349.500 2.284 10 10 EECERN COC(=O)C1(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001334375262 1336245779 /nfs/dbraw/zinc/24/57/79/1336245779.db2.gz WIVWBGBLBHVMCJ-UHFFFAOYSA-N 0 0 326.396 2.458 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCC1CC=CC1 ZINC001334765913 1336294836 /nfs/dbraw/zinc/29/48/36/1336294836.db2.gz CHYWFUHIAVWFIM-UHFFFAOYSA-N 0 0 329.444 2.150 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2nc(OC)cc(OC)n2)cc1 ZINC001350870321 1337763767 /nfs/dbraw/zinc/76/37/67/1337763767.db2.gz MJYCGXCOUNNCGY-UHFFFAOYSA-N 0 0 344.415 2.270 10 10 EECERN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccnn1C ZINC001351782901 1337848007 /nfs/dbraw/zinc/84/80/07/1337848007.db2.gz JPSKXRYGQADKAD-CQSZACIVSA-N 0 0 331.439 2.162 10 10 EECERN Cn1ccnc1[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC001352211082 1337905795 /nfs/dbraw/zinc/90/57/95/1337905795.db2.gz YSGDVRRGSLYZJG-GFCCVEGCSA-N 0 0 340.305 2.455 10 10 EECERN COCC1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000847290314 1337932131 /nfs/dbraw/zinc/93/21/31/1337932131.db2.gz XCZHUGVBLMVWBA-UHFFFAOYSA-N 0 0 349.500 2.466 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](CCC(N)=O)C2)cc1OC ZINC001611929794 1352304841 /nfs/dbraw/zinc/30/48/41/1352304841.db2.gz AXXCRNBPXCUEEW-NSHDSACASA-N 0 0 337.376 2.094 10 10 EECERN CC(=O)Nc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001618250065 1352348612 /nfs/dbraw/zinc/34/86/12/1352348612.db2.gz QQDWJBBFBAAJFA-UHFFFAOYSA-N 0 0 340.343 2.132 10 10 EECERN COC(=O)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)cc1 ZINC001565666351 1342559906 /nfs/dbraw/zinc/55/99/06/1342559906.db2.gz PEIRLTSVOYDNDO-OAHLLOKOSA-N 0 0 343.379 2.022 10 10 EECERN CCOC(=O)Cc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001570176550 1343024472 /nfs/dbraw/zinc/02/44/72/1343024472.db2.gz SLQASTBCYLEHOG-UHFFFAOYSA-N 0 0 329.352 2.385 10 10 EECERN CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001576189040 1343976446 /nfs/dbraw/zinc/97/64/46/1343976446.db2.gz PYWCPSHPCZPSOS-CQSZACIVSA-N 0 0 345.403 2.370 10 10 EECERN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1-c1ccn(C)n1 ZINC001595596600 1349889862 /nfs/dbraw/zinc/88/98/62/1349889862.db2.gz ZXUXPBIBINMMQY-UHFFFAOYSA-N 0 0 340.383 2.169 10 10 EECERN CN(C)[C@@H](C(=O)NCc1c(O)ccc2ccccc21)c1cncn1C ZINC001597742760 1349930887 /nfs/dbraw/zinc/93/08/87/1349930887.db2.gz OQVPLAFPPSMJDF-GOSISDBHSA-N 0 0 338.411 2.198 10 10 EECERN CCOc1ccc(N2CCN(C(=O)CCc3ncc[nH]3)CC2)cc1 ZINC001623429912 1352396862 /nfs/dbraw/zinc/39/68/62/1352396862.db2.gz QQCGMEDZBFDQEN-UHFFFAOYSA-N 0 0 328.416 2.090 10 10 EECERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC(CO)(CO)C2)c1 ZINC001634312566 1352625314 /nfs/dbraw/zinc/62/53/14/1352625314.db2.gz XDIMJLBTWYBCBH-UHFFFAOYSA-N 0 0 348.830 2.174 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccc(N2CCCC2=O)cc1 ZINC001637033842 1352670908 /nfs/dbraw/zinc/67/09/08/1352670908.db2.gz AECVKOCLFHDFQM-UHFFFAOYSA-N 0 0 326.352 2.155 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1cccc(Nc2nn[nH]n2)c1 ZINC001639965665 1352703498 /nfs/dbraw/zinc/70/34/98/1352703498.db2.gz OHBUYXNVFAKLOX-UHFFFAOYSA-N 0 0 344.762 2.232 10 10 EECERN Cc1nnc2ccc(C(=O)NCc3ccc4cccnc4c3O)cn12 ZINC001643283404 1352744982 /nfs/dbraw/zinc/74/49/82/1352744982.db2.gz UEERNOZMLALKPS-UHFFFAOYSA-N 0 0 333.351 2.222 10 10 EECERN O=C(Cc1ccc2c(c1)OC(F)(F)O2)NCc1c(O)cccc1O ZINC001645363188 1352777122 /nfs/dbraw/zinc/77/71/22/1352777122.db2.gz POAZHSCBABCBDU-UHFFFAOYSA-N 0 0 337.278 2.278 10 10 EECERN COC(=O)c1ccccc1CCC(=O)NCc1c(O)cccc1O ZINC001652626538 1354097874 /nfs/dbraw/zinc/09/78/74/1354097874.db2.gz YCBAVPXLWAJBKI-UHFFFAOYSA-N 0 0 329.352 2.133 10 10 EECERN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001663670329 1355014255 /nfs/dbraw/zinc/01/42/55/1355014255.db2.gz PIOWZMFSMFLFQE-GFCCVEGCSA-N 0 0 348.424 2.414 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC001686826735 1358490373 /nfs/dbraw/zinc/49/03/73/1358490373.db2.gz ODHSUAJNFZLMAO-XUWXXGDYSA-N 0 0 333.476 2.404 10 10 EECERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001141833919 782462890 /nfs/dbraw/zinc/46/28/90/782462890.db2.gz VUQJOODUANTHAC-RKDXNWHRSA-N 0 0 334.397 2.039 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc2c(c1)OCCCO2 ZINC001143511891 769757677 /nfs/dbraw/zinc/75/76/77/769757677.db2.gz ANJNGYNASQLJTE-UHFFFAOYSA-N 0 0 329.352 2.118 10 10 EECERN COc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1O ZINC000785409794 782924723 /nfs/dbraw/zinc/92/47/23/782924723.db2.gz KSCQJTHRUPLOHY-UHFFFAOYSA-N 0 0 328.368 2.490 10 10 EECERN O=S(=O)(Cc1noc2c1CCCC2)NCc1c(O)cccc1F ZINC000921451459 773381619 /nfs/dbraw/zinc/38/16/19/773381619.db2.gz PZBLESNOIDJLQI-UHFFFAOYSA-N 0 0 340.376 2.018 10 10 EECERN C[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000028083700 778550423 /nfs/dbraw/zinc/55/04/23/778550423.db2.gz MRPFUTYEOKJAPZ-CQSZACIVSA-N 0 0 325.478 2.161 10 10 EECERN COc1ccc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cn1 ZINC000907275997 784491701 /nfs/dbraw/zinc/49/17/01/784491701.db2.gz YKUJJRICBNJADT-LBPRGKRZSA-N 0 0 330.384 2.181 10 10 EECERN CC(=O)NCCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000820915048 786504591 /nfs/dbraw/zinc/50/45/91/786504591.db2.gz ODNLRYRBHALJTE-UHFFFAOYSA-N 0 0 327.428 2.279 10 10 EECERN Cc1ccc(N2C[C@H](C(=O)NCc3ccc(O)cc3O)CC2=O)cc1 ZINC000910953322 787133582 /nfs/dbraw/zinc/13/35/82/787133582.db2.gz ABQAYGXEHRDXGR-CQSZACIVSA-N 0 0 340.379 2.076 10 10 EECERN CC1CCN(c2ccc(CNC(=O)c3ns[nH]c3=O)cc2)CC1 ZINC001136705547 787672279 /nfs/dbraw/zinc/67/22/79/787672279.db2.gz RAASACMPKBTQHT-UHFFFAOYSA-N 0 0 332.429 2.410 10 10 EECERN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)NCc1c(O)cccc1F ZINC000923089163 788800709 /nfs/dbraw/zinc/80/07/09/788800709.db2.gz CTVGVFRLWPJGFU-CQSZACIVSA-N 0 0 345.374 2.107 10 10 EECERN COC[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000923186126 789083222 /nfs/dbraw/zinc/08/32/22/789083222.db2.gz IAPCCUUMACGCMY-JKSUJKDBSA-N 0 0 349.475 2.492 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)/C=C/c2ccncn2)cc1 ZINC000844856057 789403478 /nfs/dbraw/zinc/40/34/78/789403478.db2.gz LUVNXSUGUUITLM-RUDMXATFSA-N 0 0 326.400 2.093 10 10 EECERN C[C@H](CCNC(=O)NCc1c(O)ccc2c1CCCC2)[S@@](C)=O ZINC000165679468 789539846 /nfs/dbraw/zinc/53/98/46/789539846.db2.gz NDMKUAHBSAZOJD-SPSFWMDKSA-N 0 0 338.473 2.227 10 10 EECERN CCc1c(C(=O)NCc2cc(Cl)ccc2O)[nH]c(C)c1C(N)=O ZINC000846477966 790194671 /nfs/dbraw/zinc/19/46/71/790194671.db2.gz YINOYLLVXQGZGF-UHFFFAOYSA-N 0 0 335.791 2.273 10 10 EECERN C[C@@H](NS(=O)(=O)CC1(F)CC1)c1ccc(N2CCOCC2)cc1 ZINC000913972274 794677649 /nfs/dbraw/zinc/67/76/49/794677649.db2.gz OBKYKGLVEQTYHP-CYBMUJFWSA-N 0 0 342.436 2.006 10 10 EECERN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCn1ccnn1 ZINC000715776714 795500896 /nfs/dbraw/zinc/50/08/96/795500896.db2.gz DEWYJRWVJZSTQW-UHFFFAOYSA-N 0 0 329.173 2.065 10 10 EECERN CN1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CCC1=O ZINC000715791331 795504438 /nfs/dbraw/zinc/50/44/38/795504438.db2.gz HOAYCWIEDPYFLC-SNVBAGLBSA-N 0 0 331.185 2.004 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000921764960 795807782 /nfs/dbraw/zinc/80/77/82/795807782.db2.gz YKYACXAJOFIOTO-GFCCVEGCSA-N 0 0 349.406 2.264 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001176576783 798503362 /nfs/dbraw/zinc/50/33/62/798503362.db2.gz SJIIUJZRKNCEQH-AWEZNQCLSA-N 0 0 341.285 2.466 10 10 EECERN C[C@H](C(=O)NCc1c(O)cccc1O)n1ccc(C(F)(F)F)n1 ZINC001178917287 799699765 /nfs/dbraw/zinc/69/97/65/799699765.db2.gz NBUFNMWIRDQTAV-MRVPVSSYSA-N 0 0 329.278 2.191 10 10 EECERN Cc1cc(Br)c(O)c(CN2CC(=O)N(C3CC3)C2)c1 ZINC000790942194 809012997 /nfs/dbraw/zinc/01/29/97/809012997.db2.gz AGRJLXCUCUTROU-UHFFFAOYSA-N 0 0 325.206 2.227 10 10 EECERN CC(=O)C(=O)COC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000808531308 812702481 /nfs/dbraw/zinc/70/24/81/812702481.db2.gz NQHBHIQZAFWMRL-UHFFFAOYSA-N 0 0 339.391 2.390 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C)[C@@H]3OCC)CC2)cc1 ZINC001566562640 1125737694 /nfs/dbraw/zinc/73/76/94/1125737694.db2.gz MSEXJKLBJIMIRD-QGTPRVQTSA-N 0 0 332.444 2.405 10 10 EECERN NC(=O)c1ccc2c(n1)N(C(=O)/C=C/c1ccc(Cl)nc1)CCC2 ZINC001437444671 1089751293 /nfs/dbraw/zinc/75/12/93/1089751293.db2.gz KZNJMIFNSRTJCW-XBXARRHUSA-N 0 0 342.786 2.222 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2COc3ccccc3C2=O)cc1 ZINC001446188676 1092264763 /nfs/dbraw/zinc/26/47/63/1092264763.db2.gz HPIBZZRFLPJKMF-CYBMUJFWSA-N 0 0 338.323 2.223 10 10 EECERN CC[C@](C)(CCCNC(=O)Cc1ccc(O)c(O)c1)C1OCCO1 ZINC001444850056 1099831990 /nfs/dbraw/zinc/83/19/90/1099831990.db2.gz BBGLHIKRKOSXIA-GOSISDBHSA-N 0 0 337.416 2.326 10 10 EECERN CN1C(=O)COc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c21 ZINC001455173178 1108276577 /nfs/dbraw/zinc/27/65/77/1108276577.db2.gz AJCXLFRBXWETDI-SOFGYWHQSA-N 0 0 340.335 2.105 10 10 EECERN COCCOCc1cc(C(=O)NCc2c(O)cccc2O)ccc1F ZINC001456237812 1109119093 /nfs/dbraw/zinc/11/90/93/1109119093.db2.gz WUAQUKRIDCVXGQ-UHFFFAOYSA-N 0 0 349.358 2.330 10 10 EECERN CCOc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1OC ZINC001464222317 1110389505 /nfs/dbraw/zinc/38/95/05/1110389505.db2.gz OTTKMOZQBZTFHJ-UHFFFAOYSA-N 0 0 331.368 2.364 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cnc(F)c(Br)c1 ZINC001472064243 1110540759 /nfs/dbraw/zinc/54/07/59/1110540759.db2.gz YBGSFLRBUVQGCX-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN NC(=O)c1csc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001472515889 1110557908 /nfs/dbraw/zinc/55/79/08/1110557908.db2.gz XYPVGCGAIZVOEH-UHFFFAOYSA-N 0 0 335.366 2.120 10 10 EECERN COc1c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cnn1C ZINC001525114026 1120269506 /nfs/dbraw/zinc/26/95/06/1120269506.db2.gz UGUDALLHUIRUNC-UHFFFAOYSA-N 0 0 328.416 2.301 10 10 EECERN CC(C)(C)C(=O)NC[C@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001535031799 1123492288 /nfs/dbraw/zinc/49/22/88/1123492288.db2.gz QJBPYXFHCGUYMC-CYBMUJFWSA-N 0 0 345.403 2.226 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1ccc(NC(=O)C2CC2)s1 ZINC001545639237 1124200602 /nfs/dbraw/zinc/20/06/02/1124200602.db2.gz GZYBHJJNSNGMIT-UHFFFAOYSA-N 0 0 332.381 2.438 10 10 EECERN C[C@H](CN1CCCC1=O)NC(=O)/C=C/c1ccc2c(c1)CCCN2C ZINC000058392945 132804311 /nfs/dbraw/zinc/80/43/11/132804311.db2.gz WZJPHEKPHALAMW-TUPIDYKKSA-N 0 0 341.455 2.209 10 10 EECERN CCCN1CCN(C(=O)c2ccoc2CC(N)=O)c2ccc(F)cc21 ZINC000355196226 465233085 /nfs/dbraw/zinc/23/30/85/465233085.db2.gz KTEXGTFWAYCBHV-UHFFFAOYSA-N 0 0 345.374 2.323 10 10 EECERN CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](O)C(F)F ZINC000297224211 465249158 /nfs/dbraw/zinc/24/91/58/465249158.db2.gz XUUMHZGWBOLGDO-CABCVRRESA-N 0 0 341.402 2.491 10 10 EECERN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@H]1C ZINC000297258032 465249852 /nfs/dbraw/zinc/24/98/52/465249852.db2.gz DYVASPLQOZOYLN-OLZOCXBDSA-N 0 0 335.423 2.337 10 10 EECERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@]2(CCOC2)C1 ZINC000153749732 462687423 /nfs/dbraw/zinc/68/74/23/462687423.db2.gz NBFFUUAKPOEVJC-QLPSFHHPSA-N 0 0 342.439 2.175 10 10 EECERN CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000076201517 462820623 /nfs/dbraw/zinc/82/06/23/462820623.db2.gz ZQBTZQWFDLWWSX-MRXNPFEDSA-N 0 0 347.484 2.215 10 10 EECERN Cc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)c(O)c1O ZINC000177672235 463762354 /nfs/dbraw/zinc/76/23/54/463762354.db2.gz PTLSECAXBOYKIR-UHFFFAOYSA-N 0 0 327.384 2.200 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3c(C)nn(C)c3C)CC2)cc1 ZINC000271356794 464294206 /nfs/dbraw/zinc/29/42/06/464294206.db2.gz DYJHYFFZWHPLRU-UHFFFAOYSA-N 0 0 343.431 2.400 10 10 EECERN CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000188554064 464310601 /nfs/dbraw/zinc/31/06/01/464310601.db2.gz AUGYDLYBMPHWRD-CQSZACIVSA-N 0 0 325.428 2.440 10 10 EECERN CN(C)c1ccc(CN(C(=O)N[C@H]2CCC(=O)N(C)C2)C2CC2)cc1 ZINC000265799734 464690653 /nfs/dbraw/zinc/69/06/53/464690653.db2.gz NEWHRYAKWBZPTJ-HNNXBMFYSA-N 0 0 344.459 2.047 10 10 EECERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295094551 464702534 /nfs/dbraw/zinc/70/25/34/464702534.db2.gz JPMISPLYLIAHTN-VIFPVBQESA-N 0 0 325.336 2.041 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCOC[C@H]2CC(F)F)cc1 ZINC000285817082 464706003 /nfs/dbraw/zinc/70/60/03/464706003.db2.gz VGMHKBRGVUSNHD-CQSZACIVSA-N 0 0 327.375 2.318 10 10 EECERN Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c(O)c1O ZINC000366702909 465886584 /nfs/dbraw/zinc/88/65/84/465886584.db2.gz UIEWASGNHYCEOG-KGLIPLIRSA-N 0 0 346.427 2.317 10 10 EECERN Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(O)c1O ZINC000373745083 466908027 /nfs/dbraw/zinc/90/80/27/466908027.db2.gz PEXZGJXHHKPTSZ-FHSNZYRGSA-N 0 0 335.400 2.205 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[C@H](CO)C1 ZINC000298828258 526679671 /nfs/dbraw/zinc/67/96/71/526679671.db2.gz HHXKAFKWVCNIKJ-IRXDYDNUSA-N 0 0 329.444 2.413 10 10 EECERN CO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2ccccc2O)c1 ZINC000727035046 576390091 /nfs/dbraw/zinc/39/00/91/576390091.db2.gz BZYWUCDBINXCOI-LBPRGKRZSA-N 0 0 328.368 2.355 10 10 EECERN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(S(C)(=O)=O)cc1 ZINC000731866460 577128085 /nfs/dbraw/zinc/12/80/85/577128085.db2.gz VPRYHTSUHFBFFG-VIFPVBQESA-N 0 0 325.411 2.348 10 10 EECERN Cc1cc(CCNC(=O)C(=O)NC2CC2)c(C)n1-c1ccccc1 ZINC000734421353 577298878 /nfs/dbraw/zinc/29/88/78/577298878.db2.gz NPCSFNGTAOMRGO-UHFFFAOYSA-N 0 0 325.412 2.031 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(N(C)C)cc1 ZINC000773369700 577337199 /nfs/dbraw/zinc/33/71/99/577337199.db2.gz ITIKBEGYFCCBOR-IARIHHJXSA-N 0 0 344.459 2.122 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000773744439 577362490 /nfs/dbraw/zinc/36/24/90/577362490.db2.gz RSTFXLCTKIIDEI-CHWSQXEVSA-N 0 0 345.395 2.105 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CCSC[C@H]1CCO ZINC000775434909 577437232 /nfs/dbraw/zinc/43/72/32/577437232.db2.gz JYRVGYUWGQPFMV-MRXNPFEDSA-N 0 0 337.489 2.070 10 10 EECERN CCC1(CC)CN(Cc2cc(OC)c(C)cc2O)CCS1(=O)=O ZINC000777579871 577482259 /nfs/dbraw/zinc/48/22/59/577482259.db2.gz IPBJCVOTEFZWNK-UHFFFAOYSA-N 0 0 341.473 2.498 10 10 EECERN CNC(=O)[C@H]1CCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768907566 577565494 /nfs/dbraw/zinc/56/54/94/577565494.db2.gz ZZWRXTIVAGGPOA-MRXNPFEDSA-N 0 0 346.431 2.296 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000764448692 577736211 /nfs/dbraw/zinc/73/62/11/577736211.db2.gz UUQKWSRKBIDTOX-ZDUSSCGKSA-N 0 0 338.791 2.275 10 10 EECERN COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)nc1 ZINC000752825249 577776785 /nfs/dbraw/zinc/77/67/85/577776785.db2.gz FVCYJUDEIHBASF-UHFFFAOYSA-N 0 0 342.399 2.249 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000756975216 577854243 /nfs/dbraw/zinc/85/42/43/577854243.db2.gz UVIIYFQCDBFNKN-MAVJXHJTSA-N 0 0 332.356 2.398 10 10 EECERN C[C@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)c(F)cc1[O-] ZINC000757654256 577861971 /nfs/dbraw/zinc/86/19/71/577861971.db2.gz DGZQDTSRBLMOFF-ZETCQYMHSA-N 0 0 329.173 2.273 10 10 EECERN CC(=O)N1CSC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000747374834 577943177 /nfs/dbraw/zinc/94/31/77/577943177.db2.gz KMYQYEDEKWFKAM-KRWDZBQOSA-N 0 0 349.500 2.411 10 10 EECERN CCN(C[C@@H](O)COC[C@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000747682171 577948228 /nfs/dbraw/zinc/94/82/28/577948228.db2.gz RXEYWOPDLOHBFD-HZPDHXFCSA-N 0 0 339.432 2.087 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)C[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000255424196 677811997 /nfs/dbraw/zinc/81/19/97/677811997.db2.gz RUEIKOKIVNYCAW-RNZFLTOJSA-N 0 0 348.277 2.140 10 10 EECERN O=C1OC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C[C@@H]12 ZINC000895415315 684592865 /nfs/dbraw/zinc/59/28/65/684592865.db2.gz UAYUFBZJCVOZCM-PSASIEDQSA-N 0 0 346.608 2.413 10 10 EECERN COC(=O)[C@H](CC1CCOCC1)NCc1ccc(N(C)C)c(F)c1 ZINC000895593168 684659086 /nfs/dbraw/zinc/65/90/86/684659086.db2.gz ZRGKEAJOVHMVIS-INIZCTEOSA-N 0 0 338.423 2.340 10 10 EECERN COC(=O)c1c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895780312 684726009 /nfs/dbraw/zinc/72/60/09/684726009.db2.gz GLBHKQRCHVSXRC-KHIZAZIESA-N 0 0 346.402 2.307 10 10 EECERN COC(=O)[C@H](C[C@@H]1CCCO1)NC/C=C\c1ccc(N(C)C)cc1 ZINC000895864422 684747508 /nfs/dbraw/zinc/74/75/08/684747508.db2.gz OEPWMOFCFAELGY-SUHNMESWSA-N 0 0 332.444 2.466 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)c1 ZINC000896362224 684954745 /nfs/dbraw/zinc/95/47/45/684954745.db2.gz SNNVFGOCLVNNPV-AWEZNQCLSA-N 0 0 334.416 2.054 10 10 EECERN C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896903519 685762730 /nfs/dbraw/zinc/76/27/30/685762730.db2.gz OZGNPORORCYOKM-MWLCHTKSSA-N 0 0 337.397 2.236 10 10 EECERN CS(=O)(=O)C1CCC(c2nc(Cc3ccc(N)cc3)no2)CC1 ZINC000904076586 694285695 /nfs/dbraw/zinc/28/56/95/694285695.db2.gz FTBGHBZZQRCTOV-UHFFFAOYSA-N 0 0 335.429 2.313 10 10 EECERN COCC[C@H](COC)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897802139 691787376 /nfs/dbraw/zinc/78/73/76/691787376.db2.gz XPROQNBRTOOLDT-SNVBAGLBSA-N 0 0 325.386 2.094 10 10 EECERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](C[C@@H]2CCCO2)C1=O ZINC000924714695 693261798 /nfs/dbraw/zinc/26/17/98/693261798.db2.gz CRVSYJICAMMPIM-UHOFOFEASA-N 0 0 331.416 2.303 10 10 EECERN COC[C@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)OC ZINC000898581024 693382782 /nfs/dbraw/zinc/38/27/82/693382782.db2.gz RUVBRPYYEIOPQO-JTQLQIEISA-N 0 0 325.386 2.094 10 10 EECERN O=C(N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cc2cc(O)c(O)cc2s1 ZINC000899160809 693635198 /nfs/dbraw/zinc/63/51/98/693635198.db2.gz HHEXVUYBHDQSGH-SEFSZJDBSA-N 0 0 331.393 2.466 10 10 EECERN C[C@@H](NC(=O)c1cn(C)nc1-c1cnn(C)c1)c1ccccc1O ZINC001648889706 1176752851 /nfs/dbraw/zinc/75/28/51/1176752851.db2.gz IMHAVHCMAGMBOK-LLVKDONJSA-N 0 0 325.372 2.017 10 10 EECERN CO[C@@H]1CN2C(=O)N(Cc3ccc4c(c3)CCCN4C)C(=O)[C@]2(C)C1 ZINC000865302652 1198160378 /nfs/dbraw/zinc/16/03/78/1198160378.db2.gz YUHHQALBCNKIDX-KXBFYZLASA-N 0 0 343.427 2.011 10 10 EECERN O=c1onc(-c2cccs2)n1Cc1ccc(N2CCOCC2)cc1 ZINC000877877245 1200145538 /nfs/dbraw/zinc/14/55/38/1200145538.db2.gz UMBCPOIJBRQMFV-UHFFFAOYSA-N 0 0 343.408 2.450 10 10 EECERN COCC[C@@H](COC)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000811940194 1200417012 /nfs/dbraw/zinc/41/70/12/1200417012.db2.gz IIRZWMWQXUKJFQ-HNNXBMFYSA-N 0 0 331.416 2.270 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H]3CCCOCC3)CC2)c(OC)c1 ZINC000870167303 1200531654 /nfs/dbraw/zinc/53/16/54/1200531654.db2.gz FDYXDYRHKBVLMO-HNNXBMFYSA-N 0 0 348.443 2.169 10 10 EECERN O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871206160 1201099049 /nfs/dbraw/zinc/09/90/49/1201099049.db2.gz UEWPCJHBWDCEAT-QZTJIDSGSA-N 0 0 325.364 2.391 10 10 EECERN CC(C)(F)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000868117713 1201747260 /nfs/dbraw/zinc/74/72/60/1201747260.db2.gz XURWMWDGKOFMDO-UHFFFAOYSA-N 0 0 327.375 2.210 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCC(C)(C)OC)C2)cc1 ZINC000868762617 1201874477 /nfs/dbraw/zinc/87/44/77/1201874477.db2.gz QXZPPTMTPZPOEW-CQSZACIVSA-N 0 0 335.448 2.388 10 10 EECERN COc1ccc(CNC(=O)N[C@@H](C2CCC2)[C@H]2CCOC2)c(O)c1 ZINC000869005032 1201922427 /nfs/dbraw/zinc/92/24/27/1201922427.db2.gz NKJCFUUGNSUKJY-YOEHRIQHSA-N 0 0 334.416 2.405 10 10 EECERN Cn1cc(C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)cn1 ZINC001137242874 1204253405 /nfs/dbraw/zinc/25/34/05/1204253405.db2.gz PFXARTKSYLGUCM-LBPRGKRZSA-N 0 0 340.387 2.287 10 10 EECERN CCOc1cccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000779532293 1210416242 /nfs/dbraw/zinc/41/62/42/1210416242.db2.gz MKNHQPKRYAQDMO-VQHVLOKHSA-N 0 0 328.368 2.264 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)NC(C)(C)C(N)=O)c2C)cc1 ZINC000193946377 1211043168 /nfs/dbraw/zinc/04/31/68/1211043168.db2.gz JNZJBYYEHHFHKW-UHFFFAOYSA-N 0 0 329.400 2.096 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2coc3c2C(=O)NCCC3)c1 ZINC001137473681 1248707146 /nfs/dbraw/zinc/70/71/46/1248707146.db2.gz RFRJLVDCKAGTNV-JTQLQIEISA-N 0 0 344.367 2.161 10 10 EECERN O=C(/C=C\Cn1cncn1)NCc1ccc(N2CCCCC2)cc1 ZINC000900405373 1234321514 /nfs/dbraw/zinc/32/15/14/1234321514.db2.gz VYCUIHQDAOOANK-PLNGDYQASA-N 0 0 325.416 2.141 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000850602026 1277280267 /nfs/dbraw/zinc/28/02/67/1277280267.db2.gz MDBTUCOPQGQOCV-XYJFISCASA-N 0 0 343.471 2.263 10 10 EECERN C[C@H]1C[C@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H](C)C1 ZINC000851688178 1277718034 /nfs/dbraw/zinc/71/80/34/1277718034.db2.gz SAAGGDXNJDXQFO-FOLVSLTJSA-N 0 0 331.460 2.116 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1[nH]ncc1C(F)(F)F ZINC000867302731 1285523299 /nfs/dbraw/zinc/52/32/99/1285523299.db2.gz UGGDVWZYMTWYFV-SSDOTTSWSA-N 0 0 329.278 2.201 10 10 EECERN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)c2ncnn21 ZINC000851988320 1291943336 /nfs/dbraw/zinc/94/33/36/1291943336.db2.gz XKKFDCZOSSPABX-CJNGLKHVSA-N 0 0 340.431 2.384 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cncc(C)c3)C2)cc1 ZINC000852230353 1292053653 /nfs/dbraw/zinc/05/36/53/1292053653.db2.gz VMLLQHSWNIYPJE-MRXNPFEDSA-N 0 0 340.427 2.477 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@](C)(OC)C3CC3)C2)cc1 ZINC000852349760 1292095966 /nfs/dbraw/zinc/09/59/66/1292095966.db2.gz PXQUVEXITXUUBC-BEFAXECRSA-N 0 0 347.459 2.388 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](CO)C1CCC1 ZINC000852383546 1292103640 /nfs/dbraw/zinc/10/36/40/1292103640.db2.gz DLURTPMOBZPTDX-RDTXWAMCSA-N 0 0 333.476 2.452 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3C[C@H]4[C@@H](C3)C4(F)F)C2)cc1 ZINC000852448998 1292116400 /nfs/dbraw/zinc/11/64/00/1292116400.db2.gz PGJYCGYTYWCWOX-DFBGVHRSSA-N 0 0 337.370 2.180 10 10 EECERN COCCN(CCF)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000853818746 1292469402 /nfs/dbraw/zinc/46/94/02/1292469402.db2.gz HIQBPYVOGYQUPQ-GQCTYLIASA-N 0 0 326.324 2.203 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccnc(OC)c3)C2)cc1 ZINC000855223937 1293116848 /nfs/dbraw/zinc/11/68/48/1293116848.db2.gz CZOSVKKTLYPIBT-HNNXBMFYSA-N 0 0 341.411 2.036 10 10 EECERN COCc1cncc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855225673 1293117768 /nfs/dbraw/zinc/11/77/68/1293117768.db2.gz PRABHFVJFANTEC-MRXNPFEDSA-N 0 0 341.411 2.245 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCCc3nc(C)no3)C2)cc1 ZINC000855232828 1293122056 /nfs/dbraw/zinc/12/20/56/1293122056.db2.gz UXEZVFSLWOXURP-AWEZNQCLSA-N 0 0 344.415 2.104 10 10 EECERN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 ZINC000855871459 1293349555 /nfs/dbraw/zinc/34/95/55/1293349555.db2.gz YMPXSVQRFVJOPX-MMAALDBVSA-N 0 0 341.411 2.372 10 10 EECERN Cc1ccc(O)c(CNC(=O)NC2CCN(C(=O)C(C)C)CC2)c1 ZINC000858129881 1294015898 /nfs/dbraw/zinc/01/58/98/1294015898.db2.gz YKGQCIGLMSUJNJ-UHFFFAOYSA-N 0 0 333.432 2.147 10 10 EECERN COC[C@@]1(C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1 ZINC000858368019 1294097574 /nfs/dbraw/zinc/09/75/74/1294097574.db2.gz BBGGYWVUIWDAKO-KBXCAEBGSA-N 0 0 335.448 2.261 10 10 EECERN CC1(C)CC(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000859520392 1294468579 /nfs/dbraw/zinc/46/85/79/1294468579.db2.gz KUIJYORLZKQAEQ-UHFFFAOYSA-N 0 0 327.402 2.357 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(C2CCOCC2)n1 ZINC000860697369 1295068706 /nfs/dbraw/zinc/06/87/06/1295068706.db2.gz UUEKRZYXEPYMEN-LBPRGKRZSA-N 0 0 345.399 2.007 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000797644628 1304796288 /nfs/dbraw/zinc/79/62/88/1304796288.db2.gz RECBTRONCGZHPU-JTQLQIEISA-N 0 0 333.392 2.197 10 10 EECERN COc1ccc(N2CCN(Cc3cnc(OC)nc3C)CC2)cc1 ZINC000799107798 1305156680 /nfs/dbraw/zinc/15/66/80/1305156680.db2.gz REFQEYPRCKINTP-UHFFFAOYSA-N 0 0 328.416 2.124 10 10 EECERN COCCCCS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841569392 1315579401 /nfs/dbraw/zinc/57/94/01/1315579401.db2.gz LCMPQXLYGIHNQM-HNNXBMFYSA-N 0 0 342.505 2.338 10 10 EECERN Nc1ccc(CCNC(=O)NC2CCN(c3ccccn3)CC2)cc1 ZINC000841705122 1315600717 /nfs/dbraw/zinc/60/07/17/1315600717.db2.gz MDWDVSYNOCUWCZ-UHFFFAOYSA-N 0 0 339.443 2.175 10 10 EECERN CC(C)OC(=O)N1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841812097 1315616550 /nfs/dbraw/zinc/61/65/50/1315616550.db2.gz UCVBSRZCPASKIJ-UHFFFAOYSA-N 0 0 348.447 2.120 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOc2ccccc2[C@@H]1CO ZINC001156696401 1318165758 /nfs/dbraw/zinc/16/57/58/1318165758.db2.gz PMBVKYARXLFIHT-VFADXPBXSA-N 0 0 341.363 2.066 10 10 EECERN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1c(O)cccc1O ZINC001156881185 1318257332 /nfs/dbraw/zinc/25/73/32/1318257332.db2.gz TURSNJTYSBGVHK-HNNXBMFYSA-N 0 0 348.424 2.230 10 10 EECERN O=C(CCCN1C(=O)CCC1=O)NCc1c(O)ccc2ccccc21 ZINC001157041341 1318363540 /nfs/dbraw/zinc/36/35/40/1318363540.db2.gz FAZCDYLIKOOIQL-UHFFFAOYSA-N 0 0 340.379 2.091 10 10 EECERN COC1(C(F)(F)F)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001162212035 1320784156 /nfs/dbraw/zinc/78/41/56/1320784156.db2.gz QXSFEMZKTMAISH-UHFFFAOYSA-N 0 0 333.306 2.210 10 10 EECERN COC(=O)c1c(CN2C[C@H](O)C3(CC3)C2)c2cc(F)ccc2n1C ZINC001262111058 1322237104 /nfs/dbraw/zinc/23/71/04/1322237104.db2.gz VQYRETRNOPBCIJ-HNNXBMFYSA-N 0 0 332.375 2.061 10 10 EECERN CN(C)c1cnc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001264287152 1322669112 /nfs/dbraw/zinc/66/91/12/1322669112.db2.gz LVFIMWKZPJLGEZ-UHFFFAOYSA-N 0 0 339.443 2.415 10 10 EECERN CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1CC(C)(C)O ZINC001298365234 1330064433 /nfs/dbraw/zinc/06/44/33/1330064433.db2.gz TWZXEHSLHGCXOD-OAHLLOKOSA-N 0 0 346.431 2.243 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc2cc(F)ccc2[nH]c1=O ZINC001304054000 1331375248 /nfs/dbraw/zinc/37/52/48/1331375248.db2.gz ZRTXMORLPLAOJQ-UHFFFAOYSA-N 0 0 328.299 2.008 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NCC2CCC(F)CC2)cc1 ZINC001326091426 1334025490 /nfs/dbraw/zinc/02/54/90/1334025490.db2.gz DEYKCWJWDWPIFY-UHFFFAOYSA-N 0 0 335.423 2.013 10 10 EECERN O=C([O-])[C@H](CCF)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001326755655 1334155128 /nfs/dbraw/zinc/15/51/28/1334155128.db2.gz BMNIAWTYVLAPSZ-ZDUSSCGKSA-N 0 0 339.367 2.488 10 10 EECERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329422100 1334646838 /nfs/dbraw/zinc/64/68/38/1334646838.db2.gz JCYQESQQYCMCDT-WWGRRREGSA-N 0 0 328.412 2.414 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CC[C@H]4COC[C@@H]4C3)ccc21 ZINC001330045140 1334767707 /nfs/dbraw/zinc/76/77/07/1334767707.db2.gz INBBUHOLEGRAAY-IRXDYDNUSA-N 0 0 329.444 2.247 10 10 EECERN Cc1cn2c(n1)C[C@H](C(=O)NCc1ccc3c(c1)CCCN3C)CC2 ZINC001331552337 1335036037 /nfs/dbraw/zinc/03/60/37/1335036037.db2.gz CUCGEGYTAQATNU-QGZVFWFLSA-N 0 0 338.455 2.453 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1(CC2CC2)CC1 ZINC001334504486 1336262418 /nfs/dbraw/zinc/26/24/18/1336262418.db2.gz VXRAYXMMYKQCNF-UHFFFAOYSA-N 0 0 343.471 2.374 10 10 EECERN Cc1ccccc1CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001618203581 1352348224 /nfs/dbraw/zinc/34/82/24/1352348224.db2.gz VKWGOJDMERAMRC-UHFFFAOYSA-N 0 0 340.423 2.293 10 10 EECERN COC(=O)c1ccc(Cl)c(C(=O)NCc2cc(O)ccc2O)c1 ZINC001593882395 1349873116 /nfs/dbraw/zinc/87/31/16/1349873116.db2.gz VFUDBOMIRRRILD-UHFFFAOYSA-N 0 0 335.743 2.468 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1ccc(NC(=O)C2CC2)s1 ZINC001595752538 1349894037 /nfs/dbraw/zinc/89/40/37/1349894037.db2.gz RWIDZGHTOSLFPN-UHFFFAOYSA-N 0 0 346.408 2.480 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1oc2ccccc2c1CO ZINC001595753441 1349894133 /nfs/dbraw/zinc/89/41/33/1349894133.db2.gz ZZUIMANRWCHEGF-UHFFFAOYSA-N 0 0 327.336 2.309 10 10 EECERN CCC/C=C\[C@H](O)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001596733176 1349911581 /nfs/dbraw/zinc/91/15/81/1349911581.db2.gz MJSPUTMNFAHFDC-MJRGOJFPSA-N 0 0 332.444 2.451 10 10 EECERN Cn1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1C(N)=O ZINC001622720252 1352388442 /nfs/dbraw/zinc/38/84/42/1352388442.db2.gz UHFUBXYOIUFREX-UHFFFAOYSA-N 0 0 331.353 2.002 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2ccnn2C[C@@H]2CCOC2)cc1 ZINC001626369087 1352460923 /nfs/dbraw/zinc/46/09/23/1352460923.db2.gz PPTZWMDLNAXLRO-NSHDSACASA-N 0 0 342.359 2.334 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(OCC2CC2)nc1 ZINC001627658462 1352505102 /nfs/dbraw/zinc/50/51/02/1352505102.db2.gz BZQKYVSZNTUXNG-UHFFFAOYSA-N 0 0 328.368 2.141 10 10 EECERN CC(=O)Nc1cnccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001631438759 1352583681 /nfs/dbraw/zinc/58/36/81/1352583681.db2.gz ZVJMSZQBTIJVKU-UHFFFAOYSA-N 0 0 330.363 2.175 10 10 EECERN Cc1cc(C(=O)N2CC(NC3COC3)C2)c(C)n1-c1cccc(C)c1 ZINC001636333876 1352662424 /nfs/dbraw/zinc/66/24/24/1352662424.db2.gz VZCCCSYGXUWQQQ-UHFFFAOYSA-N 0 0 339.439 2.215 10 10 EECERN NC(=O)Nc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001638573054 1352689702 /nfs/dbraw/zinc/68/97/02/1352689702.db2.gz HQKFEJPSQPQXLI-UHFFFAOYSA-N 0 0 336.351 2.361 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)Cc3ccnc(F)c3)C2)cc1 ZINC001643346978 1352746638 /nfs/dbraw/zinc/74/66/38/1352746638.db2.gz RKKSAIBKBABAQQ-OAHLLOKOSA-N 0 0 343.402 2.415 10 10 EECERN COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(C)c(O)c1O)CC2 ZINC001647918845 1353408600 /nfs/dbraw/zinc/40/86/00/1353408600.db2.gz SNYYPCNTLXICAA-UHFFFAOYSA-N 0 0 327.336 2.396 10 10 EECERN CCN(C)C(=O)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001680746762 1357914313 /nfs/dbraw/zinc/91/43/13/1357914313.db2.gz KBZIAIXFGYDMRU-OAHLLOKOSA-N 0 0 346.475 2.295 10 10 EECERN CN1CCCc2cc(CNC(=O)COCC(=O)OC(C)(C)C)ccc21 ZINC000843539654 757050337 /nfs/dbraw/zinc/05/03/37/757050337.db2.gz YZUWNLMTKHDXDO-UHFFFAOYSA-N 0 0 348.443 2.044 10 10 EECERN C[C@@H]1CN(c2ccc(CNc3cnc(CO)cn3)cc2F)C[C@H](C)O1 ZINC000820635942 785999195 /nfs/dbraw/zinc/99/91/95/785999195.db2.gz ZUIWUFVPWBJMCM-BETUJISGSA-N 0 0 346.406 2.334 10 10 EECERN O=C1NCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708173088 786763773 /nfs/dbraw/zinc/76/37/73/786763773.db2.gz VEZUOBGIYZLVDF-JTQLQIEISA-N 0 0 333.613 2.176 10 10 EECERN CO[C@]12CCC[C@@]1(C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)CCO2 ZINC000821807366 786896982 /nfs/dbraw/zinc/89/69/82/786896982.db2.gz QXKSWDLVMHTHNH-UUWFMWQGSA-N 0 0 335.400 2.078 10 10 EECERN CN(C)c1ccc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1F ZINC000825202312 788497384 /nfs/dbraw/zinc/49/73/84/788497384.db2.gz QSJGUNMZZOUPFE-HOTGVXAUSA-N 0 0 326.437 2.043 10 10 EECERN CCN(OC)C(=O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000844074515 788842877 /nfs/dbraw/zinc/84/28/77/788842877.db2.gz UMYFCKYZJYLRLC-UHFFFAOYSA-N 0 0 329.400 2.234 10 10 EECERN COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)C1=CC(=O)CS1 ZINC000921606283 789830514 /nfs/dbraw/zinc/83/05/14/789830514.db2.gz GVBLPDMPGXIEOW-MRXNPFEDSA-N 0 0 337.372 2.497 10 10 EECERN CCON(C)C(=O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000846500162 790203665 /nfs/dbraw/zinc/20/36/65/790203665.db2.gz LBGRELGKEUXFFS-UHFFFAOYSA-N 0 0 347.390 2.373 10 10 EECERN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC001148234285 792270087 /nfs/dbraw/zinc/27/00/87/792270087.db2.gz ZBJQYCFZXWCOBH-DVVUODLYSA-N 0 0 346.408 2.052 10 10 EECERN C[C@H](NC(=O)c1cn(C)nc1-c1cnn(C)c1)c1ccccc1O ZINC001171729808 796706993 /nfs/dbraw/zinc/70/69/93/796706993.db2.gz IMHAVHCMAGMBOK-NSHDSACASA-N 0 0 325.372 2.017 10 10 EECERN C[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)c1ccccc1O ZINC001171730554 796707341 /nfs/dbraw/zinc/70/73/41/796707341.db2.gz OABYFNUCQDKJLZ-VIFPVBQESA-N 0 0 325.411 2.348 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000922727461 801745876 /nfs/dbraw/zinc/74/58/76/801745876.db2.gz XXTUAXKXNPJLKJ-DYEKYZERSA-N 0 0 342.233 2.357 10 10 EECERN CN(CC(=O)N1CCC(c2ccccc2)=N1)c1ccc2c(c1)OCO2 ZINC000121360442 803937067 /nfs/dbraw/zinc/93/70/67/803937067.db2.gz WCKNGOUCDWKNAZ-UHFFFAOYSA-N 0 0 337.379 2.488 10 10 EECERN Cc1ocnc1CNC(=O)NCc1cc(Br)ccc1O ZINC000805251803 811774066 /nfs/dbraw/zinc/77/40/66/811774066.db2.gz NDGMDZHGJSTKOA-UHFFFAOYSA-N 0 0 340.177 2.451 10 10 EECERN C[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807289651 812175614 /nfs/dbraw/zinc/17/56/14/812175614.db2.gz DAFSCRNUDJMDBX-CVEARBPZSA-N 0 0 341.455 2.326 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2ccc(C)cc2C)c2c1CCC2 ZINC000808515577 812686714 /nfs/dbraw/zinc/68/67/14/812686714.db2.gz KXUYSAKVAXMPQO-UHFFFAOYSA-N 0 0 340.379 2.293 10 10 EECERN COc1ccc(C(=O)CCC(=O)OCC(=O)C(C)=O)c(Cl)c1 ZINC000808534571 812705324 /nfs/dbraw/zinc/70/53/24/812705324.db2.gz NZMCIIBZVWXNMJ-UHFFFAOYSA-N 0 0 326.732 2.013 10 10 EECERN Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1N1CCNC1=O ZINC001448482172 1093504369 /nfs/dbraw/zinc/50/43/69/1093504369.db2.gz DUVJOVPFVHZGMO-UHFFFAOYSA-N 0 0 341.367 2.117 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2[nH]c(CO)nc2c1 ZINC001443811655 1098306373 /nfs/dbraw/zinc/30/63/73/1098306373.db2.gz GYMUCWPUQMGEER-UHFFFAOYSA-N 0 0 338.411 2.360 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3ccc(O)cn3)CC2)cc1 ZINC001446421050 1100832634 /nfs/dbraw/zinc/83/26/34/1100832634.db2.gz RRFVQRVAXGADGP-UHFFFAOYSA-N 0 0 327.384 2.148 10 10 EECERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](CC(F)(F)F)O1 ZINC001453902511 1106569116 /nfs/dbraw/zinc/56/91/16/1106569116.db2.gz QVNODISRODCTPY-KOLCDFICSA-N 0 0 333.306 2.209 10 10 EECERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001455316020 1108423641 /nfs/dbraw/zinc/42/36/41/1108423641.db2.gz MUSRYNHFTIZTGT-TXEJJXNPSA-N 0 0 336.388 2.017 10 10 EECERN COc1ccc(NC(=O)NC(=O)CN(C)c2ccc(OC)cc2)cc1 ZINC001460337571 1110263141 /nfs/dbraw/zinc/26/31/41/1110263141.db2.gz VTYPNIUUPQFAPY-UHFFFAOYSA-N 0 0 343.383 2.488 10 10 EECERN COC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)cc1 ZINC001463784537 1110380637 /nfs/dbraw/zinc/38/06/37/1110380637.db2.gz NUXLXHSAKYDJFT-HNNXBMFYSA-N 0 0 343.379 2.369 10 10 EECERN CN(Cc1ccccc1O)C(=O)/C=C\c1ccc2c(c1)NC(=O)CO2 ZINC001465844188 1110424831 /nfs/dbraw/zinc/42/48/31/1110424831.db2.gz HRWXVLFUKRAVBT-CLFYSBASSA-N 0 0 338.363 2.395 10 10 EECERN CC(=O)NCc1cccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001466790293 1110443816 /nfs/dbraw/zinc/44/38/16/1110443816.db2.gz FGRJBGMWVYQDOE-GFCCVEGCSA-N 0 0 342.395 2.095 10 10 EECERN CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cn1 ZINC001469160096 1110486078 /nfs/dbraw/zinc/48/60/78/1110486078.db2.gz OUWYRBWVEQDOLJ-UHFFFAOYSA-N 0 0 344.367 2.378 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc2nnc(C(F)F)n2c1 ZINC001469158951 1110486228 /nfs/dbraw/zinc/48/62/28/1110486228.db2.gz HTOSJBUWYGIKPS-UHFFFAOYSA-N 0 0 334.282 2.008 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCC(=O)C1CCC(F)(F)CC1 ZINC001469247820 1110487802 /nfs/dbraw/zinc/48/78/02/1110487802.db2.gz BPUVYTPTJTYUJM-UHFFFAOYSA-N 0 0 327.327 2.151 10 10 EECERN CC(C)(C)OC(=O)c1cnc(C(=O)NCc2c(O)cccc2F)cn1 ZINC001471975784 1110537072 /nfs/dbraw/zinc/53/70/72/1110537072.db2.gz HJEFLKNVRIADLM-UHFFFAOYSA-N 0 0 347.346 2.207 10 10 EECERN CCOc1ccc(N(CCNS(=O)(=O)CC)CC2CC2)cc1 ZINC001473719764 1110579567 /nfs/dbraw/zinc/57/95/67/1110579567.db2.gz PRESRAGZLHBKMP-UHFFFAOYSA-N 0 0 326.462 2.241 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)c1cn(-c2cccnc2)nn1 ZINC001525080878 1120264850 /nfs/dbraw/zinc/26/48/50/1120264850.db2.gz LDZBNHLWIVZKBZ-UHFFFAOYSA-N 0 0 341.718 2.104 10 10 EECERN CC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001535031801 1123492362 /nfs/dbraw/zinc/49/23/62/1123492362.db2.gz QJBPYXFHCGUYMC-ZDUSSCGKSA-N 0 0 345.403 2.226 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)/C=C/Cn1cncn1 ZINC001540567326 1124086497 /nfs/dbraw/zinc/08/64/97/1124086497.db2.gz IDENEJWBQJTIKF-SNAWJCMRSA-N 0 0 325.416 2.093 10 10 EECERN Cc1cc(N2CCOCC2)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001543717777 1124133747 /nfs/dbraw/zinc/13/37/47/1124133747.db2.gz UCMWMPKCPXBGSI-UHFFFAOYSA-N 0 0 342.395 2.424 10 10 EECERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)c2ccccc2N(C)C1=O ZINC001545088590 1124179268 /nfs/dbraw/zinc/17/92/68/1124179268.db2.gz NEPCDWTWJDBPJH-GFCCVEGCSA-N 0 0 340.379 2.286 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001568738049 1124752556 /nfs/dbraw/zinc/75/25/56/1124752556.db2.gz YDOKZRHKYNNWNP-UHFFFAOYSA-N 0 0 336.344 2.420 10 10 EECERN CCNC(=O)CN(CC)C(=O)/C=C/c1ccc2c(c1)CCCN2C ZINC000061137380 462577306 /nfs/dbraw/zinc/57/73/06/462577306.db2.gz CTOJIPNZYJVJRG-PKNBQFBNSA-N 0 0 329.444 2.067 10 10 EECERN C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000189000521 464412136 /nfs/dbraw/zinc/41/21/36/464412136.db2.gz UNEFFAVCVZQSOC-DZGCQCFKSA-N 0 0 336.407 2.094 10 10 EECERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181180601 464454806 /nfs/dbraw/zinc/45/48/06/464454806.db2.gz ZSNMFKABIXNFMJ-STMXVASLSA-N 0 0 342.399 2.477 10 10 EECERN CO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000294737391 464591220 /nfs/dbraw/zinc/59/12/20/464591220.db2.gz NZBXJXNBOHBRMG-AEFFLSMTSA-N 0 0 332.444 2.127 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccnn1CC ZINC000274419079 464744745 /nfs/dbraw/zinc/74/47/45/464744745.db2.gz BRNRTPSUVWMWAF-UHFFFAOYSA-N 0 0 336.461 2.180 10 10 EECERN COc1nnc(NC(=O)N2CCOc3cc(N(C)C)ccc32)s1 ZINC000282873536 464984007 /nfs/dbraw/zinc/98/40/07/464984007.db2.gz RHDWSTJJAIYANO-UHFFFAOYSA-N 0 0 335.389 2.044 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000301614843 465996844 /nfs/dbraw/zinc/99/68/44/465996844.db2.gz UVIIYFQCDBFNKN-NJELEJDNSA-N 0 0 332.356 2.398 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000301749201 466022616 /nfs/dbraw/zinc/02/26/16/466022616.db2.gz ADHPHSOKYCLMGE-TUPWZPNASA-N 0 0 334.372 2.378 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CC(F)(F)C[C@H]2CO)cc1 ZINC000368702295 466695006 /nfs/dbraw/zinc/69/50/06/466695006.db2.gz TTWNEIOPXILROH-HNNXBMFYSA-N 0 0 341.402 2.444 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H]3CCCOCC3)CC2)cc1F ZINC000377463844 467063137 /nfs/dbraw/zinc/06/31/37/467063137.db2.gz LDZZKMKKEOIPCO-AWEZNQCLSA-N 0 0 336.407 2.300 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC(C)(CO)C2)CCCC1 ZINC000652402060 471286539 /nfs/dbraw/zinc/28/65/39/471286539.db2.gz OMEUOFGNQPOHRJ-UHFFFAOYSA-N 0 0 342.439 2.370 10 10 EECERN O=C(CC(F)(F)F)N1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732282234 577165905 /nfs/dbraw/zinc/16/59/05/577165905.db2.gz BCROTBVWWKAZPA-UHFFFAOYSA-N 0 0 336.335 2.127 10 10 EECERN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000732835027 577194338 /nfs/dbraw/zinc/19/43/38/577194338.db2.gz GBPUFDARYSOYDG-ZDUSSCGKSA-N 0 0 334.372 2.470 10 10 EECERN C[C@H](NC(=O)NCC[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773615737 577354708 /nfs/dbraw/zinc/35/47/08/577354708.db2.gz XVZLBROPDNVEKO-GWCFXTLKSA-N 0 0 333.354 2.426 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CC(OCCCOC)C2)cc1 ZINC000774179404 577387380 /nfs/dbraw/zinc/38/73/80/577387380.db2.gz NVPXSSCJKHASKW-UHFFFAOYSA-N 0 0 349.475 2.480 10 10 EECERN C[C@@H](NC(=O)N1CCSC[C@@H]1CCO)c1ccc(N(C)C)cc1 ZINC000776248972 577455597 /nfs/dbraw/zinc/45/55/97/577455597.db2.gz LZAVZNPMJIUXDX-CJNGLKHVSA-N 0 0 337.489 2.323 10 10 EECERN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cn[nH]c1 ZINC000757015538 577854955 /nfs/dbraw/zinc/85/49/55/577854955.db2.gz JINSKZINFASTCO-UONOGXRCSA-N 0 0 343.431 2.368 10 10 EECERN CCn1cc(CC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804736178 675609933 /nfs/dbraw/zinc/60/99/33/675609933.db2.gz MCZMKERZRCITIZ-UHFFFAOYSA-N 0 0 338.205 2.230 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1ccc2nncn2c1 ZINC000804735078 675610718 /nfs/dbraw/zinc/61/07/18/675610718.db2.gz KNIABEKDTWWVEA-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN COc1ncccc1C(=O)NCc1cc(Br)ccc1O ZINC000804736320 675610763 /nfs/dbraw/zinc/61/07/63/675610763.db2.gz QBZNULGKZPJCHG-UHFFFAOYSA-N 0 0 337.173 2.488 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1nccn2ccnc12 ZINC000804738578 675611668 /nfs/dbraw/zinc/61/16/68/675611668.db2.gz VLXVTUGKTJGMSZ-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN Cc1cc(OCC(=O)NCc2cc(Br)ccc2O)no1 ZINC000804739127 675611782 /nfs/dbraw/zinc/61/17/82/675611782.db2.gz RNTMSVQEXVKSBH-UHFFFAOYSA-N 0 0 341.161 2.146 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H](C)[S@](C)=O ZINC000165813441 682422914 /nfs/dbraw/zinc/42/29/14/682422914.db2.gz XFOGGFZYMVFHMA-MCMMXHMISA-N 0 0 325.478 2.017 10 10 EECERN COC(=O)CC1CC(NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000914180283 683338324 /nfs/dbraw/zinc/33/83/24/683338324.db2.gz KCUZIZJCSNCDLG-UHFFFAOYSA-N 0 0 345.443 2.428 10 10 EECERN COC(C)(C)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000914335840 683498763 /nfs/dbraw/zinc/49/87/63/683498763.db2.gz MKHFVZWNHBYMBC-AWEZNQCLSA-N 0 0 335.448 2.136 10 10 EECERN C[C@@H](NC(=O)NCC1CSC1)c1ccc(N2CCOCC2)cc1 ZINC000914400578 683559772 /nfs/dbraw/zinc/55/97/72/683559772.db2.gz OSUQRQINQPTNLT-CYBMUJFWSA-N 0 0 335.473 2.246 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]CC2(S(C)(=O)=O)CC2)c1 ZINC000793279066 683714842 /nfs/dbraw/zinc/71/48/42/683714842.db2.gz DRLZWGBSQGDYNS-UHFFFAOYSA-N 0 0 348.262 2.130 10 10 EECERN CCN(CC)C(=O)CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895521031 684628876 /nfs/dbraw/zinc/62/88/76/684628876.db2.gz CQTNYSFEGNOXGR-UHFFFAOYSA-N 0 0 336.413 2.253 10 10 EECERN C[C@](O)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F ZINC000897250973 686322242 /nfs/dbraw/zinc/32/22/42/686322242.db2.gz UAMFETKSPRWSGS-LBPRGKRZSA-N 0 0 335.303 2.356 10 10 EECERN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N3Cc4cccc(O)c4C3)[C@@H]2C1 ZINC000897743119 691777072 /nfs/dbraw/zinc/77/70/72/691777072.db2.gz RYRSKFGRCZFTHG-BHPKHCPMSA-N 0 0 330.384 2.005 10 10 EECERN C[C@H](NC(=O)C(=O)N(C)Cc1ccns1)c1ccc(N(C)C)cc1 ZINC000897864789 691805238 /nfs/dbraw/zinc/80/52/38/691805238.db2.gz BPPOAEZXAMZMJD-LBPRGKRZSA-N 0 0 346.456 2.045 10 10 EECERN Nc1ccc(CCNC(=O)NCCc2cnc(C3CC3)nc2)cc1 ZINC000841865102 1188076278 /nfs/dbraw/zinc/07/62/78/1188076278.db2.gz KRXGLOLEMIDTKN-UHFFFAOYSA-N 0 0 325.416 2.021 10 10 EECERN O=C1/C(=C\c2cn(C[C@@H]3CCOC3)nn2)c2cccc3c2N1CCC3 ZINC000865225760 1198131073 /nfs/dbraw/zinc/13/10/73/1198131073.db2.gz IZTKFWICRBWBDA-OLWAXZHHSA-N 0 0 336.395 2.148 10 10 EECERN CNC(=O)[C@H]1CCCN1Cc1cc(Br)cc(C)c1O ZINC000124556911 1198622154 /nfs/dbraw/zinc/62/21/54/1198622154.db2.gz SOFQOOLRTNJVDK-GFCCVEGCSA-N 0 0 327.222 2.174 10 10 EECERN O=C(/C=C/c1cncc(F)c1)N1CC(=O)Nc2cc(F)c(F)cc21 ZINC001134042063 1199267231 /nfs/dbraw/zinc/26/72/31/1199267231.db2.gz SMDAZMGAPDMDBB-OWOJBTEDSA-N 0 0 333.269 2.497 10 10 EECERN COCC[C@H](COC)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000811864289 1200366158 /nfs/dbraw/zinc/36/61/58/1200366158.db2.gz UZMYQHAGJPYRPI-MRXNPFEDSA-N 0 0 335.448 2.138 10 10 EECERN O=C(Cc1csc(N2CCCC2=O)n1)N1Cc2cccc(O)c2C1 ZINC000871198565 1201095798 /nfs/dbraw/zinc/09/57/98/1201095798.db2.gz JRPMVCCYBUJBGY-UHFFFAOYSA-N 0 0 343.408 2.060 10 10 EECERN CC1(O)CCN(c2cc(N3Cc4cccc(O)c4C3)ncn2)CC1 ZINC000866117919 1201438366 /nfs/dbraw/zinc/43/83/66/1201438366.db2.gz SSGXEDFCUFIYGA-UHFFFAOYSA-N 0 0 326.400 2.054 10 10 EECERN COCc1ccc(OC)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 ZINC000867690710 1201660165 /nfs/dbraw/zinc/66/01/65/1201660165.db2.gz KTNDNABTTXILNO-UHFFFAOYSA-N 0 0 349.408 2.252 10 10 EECERN O=S(=O)(CCc1ccc2c(c1)CCO2)N1Cc2cccc(O)c2C1 ZINC000867691457 1201660177 /nfs/dbraw/zinc/66/01/77/1201660177.db2.gz WYIOOCFYJWTFBN-UHFFFAOYSA-N 0 0 345.420 2.215 10 10 EECERN C[C@H](NS(=O)(=O)c1cnn(C)c1C(F)(F)F)c1ccccc1O ZINC000867836303 1201690827 /nfs/dbraw/zinc/69/08/27/1201690827.db2.gz NLNSAXPGZBFZSJ-QMMMGPOBSA-N 0 0 349.334 2.184 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](OC)CC[C@H]3C)C2)cc1 ZINC000868761257 1201873822 /nfs/dbraw/zinc/87/38/22/1201873822.db2.gz AQKVUHOIGBGURQ-RVKKMQEKSA-N 0 0 347.459 2.483 10 10 EECERN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccnn1C ZINC000869176263 1201955946 /nfs/dbraw/zinc/95/59/46/1201955946.db2.gz FRDKVQAULLEROK-CYBMUJFWSA-N 0 0 327.432 2.363 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccccc1CN1CCOCC1 ZINC000928706119 1206413576 /nfs/dbraw/zinc/41/35/76/1206413576.db2.gz QYEBROGWTFAIIA-UHFFFAOYSA-N 0 0 344.386 2.294 10 10 EECERN COc1nnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000929970828 1206523590 /nfs/dbraw/zinc/52/35/90/1206523590.db2.gz LEAJXABURLLKBH-CYBMUJFWSA-N 0 0 335.429 2.434 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)[C@]12CCO[C@H]1CCCC2 ZINC000930522787 1206564509 /nfs/dbraw/zinc/56/45/09/1206564509.db2.gz JHAZTTQWCWLAIT-AZUAARDMSA-N 0 0 344.455 2.489 10 10 EECERN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@]3(C)C=CCC3)cc2)CC1 ZINC000935570142 1208177780 /nfs/dbraw/zinc/17/77/80/1208177780.db2.gz UHDCTYWJAMVTRP-FQEVSTJZSA-N 0 0 341.455 2.328 10 10 EECERN COCCCOC1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000091215533 1213545995 /nfs/dbraw/zinc/54/59/95/1213545995.db2.gz RVRIZQWQBDULLQ-UHFFFAOYSA-N 0 0 347.459 2.016 10 10 EECERN Cc1cc(COCC(=O)NCc2ccc3c(c2)CCCN3C)on1 ZINC000800870721 1234707468 /nfs/dbraw/zinc/70/74/68/1234707468.db2.gz RJYJRBJERQPNHD-UHFFFAOYSA-N 0 0 329.400 2.198 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CCO[C@@H](C(F)F)C3)ccc21 ZINC000802061439 1236792442 /nfs/dbraw/zinc/79/24/42/1236792442.db2.gz PWGZYKIGDBXIAS-OAHLLOKOSA-N 0 0 339.386 2.245 10 10 EECERN COc1ccc(CCC(=O)OCC(=O)C(C)=O)c(Br)c1 ZINC000850282580 1277137007 /nfs/dbraw/zinc/13/70/07/1277137007.db2.gz DJGNMHXIHIYQCC-UHFFFAOYSA-N 0 0 343.173 2.092 10 10 EECERN C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850495436 1277247310 /nfs/dbraw/zinc/24/73/10/1277247310.db2.gz DIEVTVUPAKKRFY-QSIZCVBASA-N 0 0 340.323 2.262 10 10 EECERN Nc1ccc(CCNC(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000851663531 1277707425 /nfs/dbraw/zinc/70/74/25/1277707425.db2.gz BFTPYIUIADEIOK-CYBMUJFWSA-N 0 0 331.338 2.174 10 10 EECERN C[C@@H](CN(C)C(=O)C1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001487690678 1286286627 /nfs/dbraw/zinc/28/66/27/1286286627.db2.gz OIMSDCVYGZQXTD-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccn(C)c3)C2)cc1 ZINC000852165224 1292020648 /nfs/dbraw/zinc/02/06/48/1292020648.db2.gz CMKGSVUTPXEGAZ-HNNXBMFYSA-N 0 0 328.416 2.112 10 10 EECERN Cc1cncc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000852261919 1292069787 /nfs/dbraw/zinc/06/97/87/1292069787.db2.gz WEGQEADMXGQHJB-CQSZACIVSA-N 0 0 327.432 2.454 10 10 EECERN CCC[C@H](C)[C@H](CO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852448983 1292116961 /nfs/dbraw/zinc/11/69/61/1292116961.db2.gz OZMUDVHZMIEOTQ-DAYGRLMNSA-N 0 0 349.475 2.370 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)C[C@@H](C)O)C2)cc1 ZINC000852454530 1292118459 /nfs/dbraw/zinc/11/84/59/1292118459.db2.gz PJZITEPPTXRKEV-CABCVRRESA-N 0 0 349.475 2.370 10 10 EECERN Cc1ccc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c(O)c1O ZINC000852983947 1292248372 /nfs/dbraw/zinc/24/83/72/1292248372.db2.gz PZTYQKPAHWTBIG-UHFFFAOYSA-N 0 0 329.400 2.364 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCCCC(C)(C)CO)C2)cc1 ZINC000853779074 1292448425 /nfs/dbraw/zinc/44/84/25/1292448425.db2.gz NTWPWVXWCNZXCI-OAHLLOKOSA-N 0 0 349.475 2.372 10 10 EECERN CCOc1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)on1 ZINC000855225392 1293117737 /nfs/dbraw/zinc/11/77/37/1293117737.db2.gz LALQOYXXPBJVBR-LBPRGKRZSA-N 0 0 331.372 2.091 10 10 EECERN CCc1c[nH]c(=O)c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855227359 1293119659 /nfs/dbraw/zinc/11/96/59/1293119659.db2.gz VSZUGXSNWUKHGN-AWEZNQCLSA-N 0 0 341.411 2.367 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(O)cc3O)C2)cc1 ZINC000855228178 1293120075 /nfs/dbraw/zinc/12/00/75/1293120075.db2.gz WZFJDRDBDOXBBT-LBPRGKRZSA-N 0 0 328.368 2.115 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]2CCCC[C@@H]12 ZINC000855641765 1293284108 /nfs/dbraw/zinc/28/41/08/1293284108.db2.gz BURKLJMKAXRITK-SCRDCRAPSA-N 0 0 333.384 2.292 10 10 EECERN O=C(COc1ccsc1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213506 1293447299 /nfs/dbraw/zinc/44/72/99/1293447299.db2.gz OLIUXFNJHLSIGE-UHFFFAOYSA-N 0 0 346.452 2.404 10 10 EECERN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000857579071 1293856411 /nfs/dbraw/zinc/85/64/11/1293856411.db2.gz YDCWFRSJSHJLON-FVQHAEBGSA-N 0 0 333.343 2.293 10 10 EECERN COc1cccc([C@H](C)NC(c2ccnn2C)c2ccnn2C)c1O ZINC000858585752 1294160367 /nfs/dbraw/zinc/16/03/67/1294160367.db2.gz OGWUNSZUJJLZKS-LBPRGKRZSA-N 0 0 341.415 2.308 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858907401 1294258329 /nfs/dbraw/zinc/25/83/29/1294258329.db2.gz NQJNHIRMGRRVJV-MAUKXSAKSA-N 0 0 347.459 2.340 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@H]3CO[C@@H](C4CC4)C3)ccc21 ZINC000858912789 1294260618 /nfs/dbraw/zinc/26/06/18/1294260618.db2.gz ZVXAAPVUYLUWEQ-SJLPKXTDSA-N 0 0 329.444 2.436 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000862116666 1295704905 /nfs/dbraw/zinc/70/49/05/1295704905.db2.gz QCOSVUBLRCBUBZ-AWEZNQCLSA-N 0 0 339.395 2.167 10 10 EECERN CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)c1ccc(C)c(O)c1O ZINC000862685792 1295930919 /nfs/dbraw/zinc/93/09/19/1295930919.db2.gz XATZQQQOQIZEIN-CQSZACIVSA-N 0 0 345.351 2.302 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)[C@@H]2CCC[C@H]21 ZINC000863330786 1296225350 /nfs/dbraw/zinc/22/53/50/1296225350.db2.gz AWROMJZLKLIEEE-OUCADQQQSA-N 0 0 333.384 2.210 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863359392 1296245211 /nfs/dbraw/zinc/24/52/11/1296245211.db2.gz HLGNHVSAZLTJAE-BETUJISGSA-N 0 0 331.441 2.492 10 10 EECERN CCOc1ccc(N2CCN(C(=O)[C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC001116787555 1305918639 /nfs/dbraw/zinc/91/86/39/1305918639.db2.gz OYBBVRUEPIAZFP-YJBOKZPZSA-N 0 0 332.444 2.407 10 10 EECERN CC(C)[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC001118604504 1308898153 /nfs/dbraw/zinc/89/81/53/1308898153.db2.gz LBSAWMCHPCSLTN-SFHVURJKSA-N 0 0 343.471 2.236 10 10 EECERN COC(=O)c1ccc(/C=C/C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC001124552118 1310915679 /nfs/dbraw/zinc/91/56/79/1310915679.db2.gz BNFZAIGOZIYWNQ-PKNBQFBNSA-N 0 0 328.368 2.462 10 10 EECERN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841113367 1315478819 /nfs/dbraw/zinc/47/88/19/1315478819.db2.gz FAILRMRTVLSDRU-BXKDBHETSA-N 0 0 329.322 2.397 10 10 EECERN CC(C)n1ncc2c1C[C@@H](NC(=O)NCCc1ccc(N)cc1)CC2 ZINC000841887000 1315630586 /nfs/dbraw/zinc/63/05/86/1315630586.db2.gz XIXVOKWPEGUFEC-KRWDZBQOSA-N 0 0 341.459 2.445 10 10 EECERN C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc(Br)c1[O-] ZINC000841891608 1315631045 /nfs/dbraw/zinc/63/10/45/1315631045.db2.gz MOQPFNVILMTNQE-RYUDHWBXSA-N 0 0 343.265 2.042 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N[C@@H](c3ccnn3C)C2=O)cc1 ZINC000843306314 1315887317 /nfs/dbraw/zinc/88/73/17/1315887317.db2.gz IWQPHXMRPSOUDC-INIZCTEOSA-N 0 0 341.415 2.059 10 10 EECERN Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@H](C)c1ccccc1O ZINC001151885718 1316602822 /nfs/dbraw/zinc/60/28/22/1316602822.db2.gz DKSHUZHLPXGSMI-LLVKDONJSA-N 0 0 325.372 2.111 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cnn2ccccc12 ZINC001154025296 1316939184 /nfs/dbraw/zinc/93/91/84/1316939184.db2.gz HAYUFRHIHXUGDB-GFCCVEGCSA-N 0 0 325.368 2.035 10 10 EECERN COc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c(O)c1 ZINC001155574887 1317657408 /nfs/dbraw/zinc/65/74/08/1317657408.db2.gz QECRSDFZVONPGU-UHFFFAOYSA-N 0 0 328.328 2.493 10 10 EECERN O=C(Cc1ccc(-n2cnnc2)cc1)NCc1cccc(Cl)c1O ZINC001159041682 1319574387 /nfs/dbraw/zinc/57/43/87/1319574387.db2.gz XRQWOKNDYCJXEU-UHFFFAOYSA-N 0 0 342.786 2.485 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccncc1F ZINC001299698343 1319950343 /nfs/dbraw/zinc/95/03/43/1319950343.db2.gz GSMXBLRTQUUNEN-UHFFFAOYSA-N 0 0 332.331 2.132 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)CC1(C)CC1 ZINC001285753672 1327138550 /nfs/dbraw/zinc/13/85/50/1327138550.db2.gz GFYFTCSRGHISSX-NSHDSACASA-N 0 0 345.403 2.274 10 10 EECERN CC/C=C(/C)C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001296018157 1329865259 /nfs/dbraw/zinc/86/52/59/1329865259.db2.gz ARLBWVWZNFQWKJ-YQAXTPDCSA-N 0 0 345.403 2.394 10 10 EECERN COc1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c(OC)n1 ZINC001298837512 1330126523 /nfs/dbraw/zinc/12/65/23/1330126523.db2.gz GMZVGRZLBWYIQA-UHFFFAOYSA-N 0 0 343.343 2.191 10 10 EECERN CN(C)c1ccnc(NCc2ccc(N3CCN(C)CC3)c(F)c2)n1 ZINC001320260356 1332853348 /nfs/dbraw/zinc/85/33/48/1332853348.db2.gz YFVLCZCPZKINTA-UHFFFAOYSA-N 0 0 344.438 2.046 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NCC2(C3CCC3)CCC2)cc1 ZINC001325457635 1333890533 /nfs/dbraw/zinc/89/05/33/1333890533.db2.gz ONOITDBBSVWKLM-UHFFFAOYSA-N 0 0 343.471 2.455 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CC[C@@H]4COC[C@@H]4C3)ccc21 ZINC001330045141 1334767871 /nfs/dbraw/zinc/76/78/71/1334767871.db2.gz INBBUHOLEGRAAY-SJORKVTESA-N 0 0 329.444 2.247 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)N1CCCC12CCC2 ZINC001332558903 1335849286 /nfs/dbraw/zinc/84/92/86/1335849286.db2.gz FNNZJDFZLQWDHJ-UHFFFAOYSA-N 0 0 339.486 2.287 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccnc(OC)c3)C2)cc1 ZINC001334468728 1336257142 /nfs/dbraw/zinc/25/71/42/1336257142.db2.gz CIGGUDJUZNBONS-AWEZNQCLSA-N 0 0 327.384 2.108 10 10 EECERN C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC001345139730 1337427775 /nfs/dbraw/zinc/42/77/75/1337427775.db2.gz MQHYOPUSRANVDC-RHSMWYFYSA-N 0 0 347.434 2.110 10 10 EECERN CCC(C)(C)[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001350709770 1337740739 /nfs/dbraw/zinc/74/07/39/1337740739.db2.gz BAGCOAANOJVQRX-GFCCVEGCSA-N 0 0 337.439 2.449 10 10 EECERN COc1ccc(N2CC[C@H](NS(=O)(=O)CCC(C)C)C2)cc1 ZINC000849416539 1339156316 /nfs/dbraw/zinc/15/63/16/1339156316.db2.gz SCJJHTMNGMEBMR-AWEZNQCLSA-N 0 0 326.462 2.239 10 10 EECERN C[C@H]1CCN(c2cc(C(=O)NCc3ccc(O)cc3O)ccn2)C1 ZINC001557084932 1342440479 /nfs/dbraw/zinc/44/04/79/1342440479.db2.gz UPBUQHYQHXKTTP-LBPRGKRZSA-N 0 0 327.384 2.269 10 10 EECERN CCN(C(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC001558381848 1342474973 /nfs/dbraw/zinc/47/49/73/1342474973.db2.gz VALFSSVNXCLCTL-PKNBQFBNSA-N 0 0 340.379 2.280 10 10 EECERN COC(=O)[C@H]1CCCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567441740 1342761890 /nfs/dbraw/zinc/76/18/90/1342761890.db2.gz WAFZICBFHJBUQT-CYBMUJFWSA-N 0 0 332.360 2.407 10 10 EECERN COC(=O)c1ccc(CNC(=O)c2ccc(C)c(O)c2O)c(F)c1 ZINC001585574091 1348807128 /nfs/dbraw/zinc/80/71/28/1348807128.db2.gz QVOOIRMWTOLAPZ-UHFFFAOYSA-N 0 0 333.315 2.262 10 10 EECERN COc1cccc(CNC(=O)Cc2nnc(-c3ccccc3)o2)c1O ZINC001595799730 1349895456 /nfs/dbraw/zinc/89/54/56/1349895456.db2.gz GKAUCQIYLFWSCG-UHFFFAOYSA-N 0 0 339.351 2.310 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCSC1 ZINC001597567562 1349927558 /nfs/dbraw/zinc/92/75/58/1349927558.db2.gz RUUUYPFNCPRNBV-JTQLQIEISA-N 0 0 343.832 2.300 10 10 EECERN Cc1nn(CC(F)(F)F)cc1C(=O)NCc1c(O)cccc1O ZINC001597569820 1349928059 /nfs/dbraw/zinc/92/80/59/1349928059.db2.gz UIAGRLZBBVGLIC-UHFFFAOYSA-N 0 0 329.278 2.095 10 10 EECERN C[C@@H](NC(=O)c1nc(-c2cnccn2)no1)c1ccc(N(C)C)cc1 ZINC001625543088 1352451189 /nfs/dbraw/zinc/45/11/89/1352451189.db2.gz CENWKYOTQDBWMW-LLVKDONJSA-N 0 0 338.371 2.084 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCNC(=O)OC(C)(C)C ZINC001627026442 1352480966 /nfs/dbraw/zinc/48/09/66/1352480966.db2.gz JILOPCJPOXTNBE-UHFFFAOYSA-N 0 0 343.420 2.409 10 10 EECERN COC(=O)c1n[nH]c2ccc(NC(=O)c3cccc(O)c3O)cc21 ZINC001629583842 1352555476 /nfs/dbraw/zinc/55/54/76/1352555476.db2.gz DQCUAEJRMZFNLF-UHFFFAOYSA-N 0 0 327.296 2.013 10 10 EECERN CN(CCCNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1 ZINC001636581003 1352666828 /nfs/dbraw/zinc/66/68/28/1352666828.db2.gz OXECPQZEHVGLEF-VQHVLOKHSA-N 0 0 327.384 2.149 10 10 EECERN Cc1c(C(=O)NCc2cccc(O)c2O)nnn1CC1CCCC1 ZINC001637045270 1352671598 /nfs/dbraw/zinc/67/15/98/1352671598.db2.gz CBXPHIRBGXFBHD-UHFFFAOYSA-N 0 0 330.388 2.118 10 10 EECERN O=C(Nc1nc2cc(Br)cnc2[nH]1)c1cccc(O)c1O ZINC001637353993 1352677350 /nfs/dbraw/zinc/67/73/50/1352677350.db2.gz CPDWHLXNDPJMAW-UHFFFAOYSA-N 0 0 349.144 2.384 10 10 EECERN CNc1cnc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)cn1 ZINC001638273263 1352686671 /nfs/dbraw/zinc/68/66/71/1352686671.db2.gz TVHSXWCULQXWAX-UHFFFAOYSA-N 0 0 345.366 2.480 10 10 EECERN O=C(NCc1cccc(O)c1O)c1c(O)cnc2c(F)cccc21 ZINC001643812339 1352752236 /nfs/dbraw/zinc/75/22/36/1352752236.db2.gz FVDHFOXTQHGEKG-UHFFFAOYSA-N 0 0 328.299 2.421 10 10 EECERN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001651222502 1354044906 /nfs/dbraw/zinc/04/49/06/1354044906.db2.gz IMCLHNGPDVLAQL-ZDUSSCGKSA-N 0 0 336.388 2.114 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cccc(N2CCOC2=O)c1 ZINC001652295732 1354085660 /nfs/dbraw/zinc/08/56/60/1354085660.db2.gz QTZUROLEZDQGEW-UHFFFAOYSA-N 0 0 330.315 2.418 10 10 EECERN CS(=O)(=O)c1ccc(NCc2ccc3cccnc3c2O)nc1 ZINC001655586135 1354178606 /nfs/dbraw/zinc/17/86/06/1354178606.db2.gz VTGMWNYSJKXFAK-UHFFFAOYSA-N 0 0 329.381 2.351 10 10 EECERN O=C(NCCCSc1nccs1)N1CCN(C2CC2)CC1 ZINC000154633167 768882814 /nfs/dbraw/zinc/88/28/14/768882814.db2.gz HQOLPCFHXGPWKX-UHFFFAOYSA-N 0 0 326.491 2.115 10 10 EECERN COc1ccc(COCCCNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001143522361 770310736 /nfs/dbraw/zinc/31/07/36/770310736.db2.gz DUSMJZSNOYEFKS-UHFFFAOYSA-N 0 0 345.395 2.372 10 10 EECERN COC(=O)/C(C)=C/CNC(=O)NCCCSc1nccs1 ZINC000921446953 773379231 /nfs/dbraw/zinc/37/92/31/773379231.db2.gz UYXUIFFKFXMKKW-ONNFQVAWSA-N 0 0 329.447 2.044 10 10 EECERN CN(CC(=O)Nc1nc2c(s1)CCC2)c1ccc2c(c1)OCO2 ZINC000121320732 783152615 /nfs/dbraw/zinc/15/26/15/783152615.db2.gz FMWKDNTWMZVKID-UHFFFAOYSA-N 0 0 331.397 2.435 10 10 EECERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000906419147 783909327 /nfs/dbraw/zinc/90/93/27/783909327.db2.gz HREWDSCBHIABDH-LTCOOKNTSA-N 0 0 332.444 2.371 10 10 EECERN COc1ccc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c(O)c1 ZINC000907925506 784969606 /nfs/dbraw/zinc/96/96/06/784969606.db2.gz HXGLGHSYXDGTRA-SNVBAGLBSA-N 0 0 342.606 2.138 10 10 EECERN CO[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000822689383 787341576 /nfs/dbraw/zinc/34/15/76/787341576.db2.gz ZQBBVYZVKDOKJX-QGZVFWFLSA-N 0 0 336.407 2.094 10 10 EECERN Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000830535431 787671388 /nfs/dbraw/zinc/67/13/88/787671388.db2.gz SPQHVOWIXCUVDX-CJNGLKHVSA-N 0 0 326.462 2.048 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N(C)C[C@@H]3CCCO3)C2)cc1 ZINC000823725360 787911502 /nfs/dbraw/zinc/91/15/02/787911502.db2.gz BGMRJMOBUUILHU-QAPCUYQASA-N 0 0 347.459 2.342 10 10 EECERN Cc1cnn(C)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000824379138 788152602 /nfs/dbraw/zinc/15/26/02/788152602.db2.gz GQQVIONGLWABIL-UHFFFAOYSA-N 0 0 347.394 2.026 10 10 EECERN C[N@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501622 788209200 /nfs/dbraw/zinc/20/92/00/788209200.db2.gz QMCFIBRGKOZTHC-KGLIPLIRSA-N 0 0 341.249 2.060 10 10 EECERN Cc1cc(Br)c([O-])c(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1 ZINC000825130163 788449997 /nfs/dbraw/zinc/44/99/97/788449997.db2.gz OJLMFVBVZIHIMQ-FZMZJTMJSA-N 0 0 344.249 2.435 10 10 EECERN COc1c([O-])c(C[NH2+][C@@H]2CNc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000844905766 789445190 /nfs/dbraw/zinc/44/51/90/789445190.db2.gz NNUNOZKPGGTPPU-ZDUSSCGKSA-N 0 0 329.356 2.435 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844990605 789521948 /nfs/dbraw/zinc/52/19/48/789521948.db2.gz MURSSNROMMJFLC-IAGOWNOFSA-N 0 0 347.459 2.149 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@]4(CC4(F)F)C3)cc2N1 ZINC000845770533 789938183 /nfs/dbraw/zinc/93/81/83/789938183.db2.gz OCWHUODYQVYWIG-CYBMUJFWSA-N 0 0 325.271 2.161 10 10 EECERN COc1ccc(N(C)CCN(C)c2nnc([C@H]3CCCO3)n2C)cc1 ZINC000846295037 790121698 /nfs/dbraw/zinc/12/16/98/790121698.db2.gz KENHJKPJHSPGQW-MRXNPFEDSA-N 0 0 345.447 2.248 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCCOC1 ZINC000171598170 791407272 /nfs/dbraw/zinc/40/72/72/791407272.db2.gz XRNICDYLSLAMEW-OAHLLOKOSA-N 0 0 335.473 2.218 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000063108307 791801769 /nfs/dbraw/zinc/80/17/69/791801769.db2.gz BKYYEMWDRFOTKC-HIFRSBDPSA-N 0 0 346.408 2.050 10 10 EECERN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000786113529 806689872 /nfs/dbraw/zinc/68/98/72/806689872.db2.gz QPZLOCGIVBDCKH-KKUMJFAQSA-N 0 0 335.448 2.307 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC=C[C@H]2CO)cc1 ZINC000922253858 800087560 /nfs/dbraw/zinc/08/75/60/800087560.db2.gz FZVDOMYAHPDFBB-IBGZPJMESA-N 0 0 338.407 2.208 10 10 EECERN COc1cccc(CNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)c1O ZINC000824798196 800291103 /nfs/dbraw/zinc/29/11/03/800291103.db2.gz QFDOPMVCSOOWHI-GLRZTSSQSA-N 0 0 327.380 2.110 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)COCC(F)F ZINC000787253702 807055235 /nfs/dbraw/zinc/05/52/35/807055235.db2.gz PDNISNSQCMWSCQ-JTQLQIEISA-N 0 0 331.359 2.453 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)NCCOC(C)(C)C)cc1 ZINC000788966510 807776809 /nfs/dbraw/zinc/77/68/09/807776809.db2.gz MDBJPJQHFUIQGM-UHFFFAOYSA-N 0 0 349.475 2.080 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)N3[C@H](C)C[C@H]3C)CC2)cc1 ZINC000792056652 809554383 /nfs/dbraw/zinc/55/43/83/809554383.db2.gz DFOAQGVERPCXKG-HZPDHXFCSA-N 0 0 346.475 2.010 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H](C)c1nccn1C ZINC000805185440 811176041 /nfs/dbraw/zinc/17/60/41/811176041.db2.gz WJEFFESBNMAJGX-CQSZACIVSA-N 0 0 330.432 2.189 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C2(C(=O)N(C)C)CC2)cc1 ZINC000806326550 811831498 /nfs/dbraw/zinc/83/14/98/811831498.db2.gz RLFPJEVIROXASM-UHFFFAOYSA-N 0 0 331.460 2.360 10 10 EECERN CCn1nc(C(F)(F)F)c(C(=O)OCC(=O)C(C)=O)c1C(F)F ZINC000808527182 812694732 /nfs/dbraw/zinc/69/47/32/812694732.db2.gz AGVUKTMKJYSXRJ-UHFFFAOYSA-N 0 0 342.220 2.174 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ncccc1OCC(F)(F)F ZINC001451765670 1097909868 /nfs/dbraw/zinc/90/98/68/1097909868.db2.gz GXPZGGIULQVBMR-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN COC(=O)CCc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001455223155 1108317228 /nfs/dbraw/zinc/31/72/28/1108317228.db2.gz HWSWDCNFZINTPP-UHFFFAOYSA-N 0 0 329.352 2.385 10 10 EECERN COc1cccc(CO[C@H](C)C(=O)NCc2cc(O)ccc2O)c1 ZINC001455357637 1108475140 /nfs/dbraw/zinc/47/51/40/1108475140.db2.gz URLGQFCRDHMQPM-GFCCVEGCSA-N 0 0 331.368 2.328 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC001458239957 1109847531 /nfs/dbraw/zinc/84/75/31/1109847531.db2.gz ZOEBVKCYFDKNNM-LBPRGKRZSA-N 0 0 346.387 2.415 10 10 EECERN CCOC(=O)c1cc(N[C@H](C)Cc2ccc(O)c(O)c2)nc(C)n1 ZINC001458311754 1109857538 /nfs/dbraw/zinc/85/75/38/1109857538.db2.gz WWVTWDTVOKFQJO-SNVBAGLBSA-N 0 0 331.372 2.416 10 10 EECERN CCc1nnc(-c2ccc(NC(=O)C3=S=C(C=O)C(C)=C3)cc2)o1 ZINC001465435177 1110417422 /nfs/dbraw/zinc/41/74/22/1110417422.db2.gz SGCBQXXHIKVUSN-UHFFFAOYSA-N 0 0 341.392 2.474 10 10 EECERN COC(=O)[C@H](C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001465725735 1110422817 /nfs/dbraw/zinc/42/28/17/1110422817.db2.gz APCTUAATUYQTNW-XIKOKIGWSA-N 0 0 343.379 2.307 10 10 EECERN CCOC(=O)c1cnc(C)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001466169906 1110431336 /nfs/dbraw/zinc/43/13/36/1110431336.db2.gz NMMWBHNWWMMUON-UHFFFAOYSA-N 0 0 330.340 2.159 10 10 EECERN O=C(CSc1nnc2ccccn21)NCc1cc(Cl)ccc1O ZINC001469874476 1110498282 /nfs/dbraw/zinc/49/82/82/1110498282.db2.gz NPECBSXKXUAIQH-UHFFFAOYSA-N 0 0 348.815 2.497 10 10 EECERN Cc1ccc(O)c(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC001470253882 1110503906 /nfs/dbraw/zinc/50/39/06/1110503906.db2.gz ARRLRDQGOSLCTL-UHFFFAOYSA-N 0 0 329.356 2.361 10 10 EECERN CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1CCO[C@@H](CC)C1 ZINC001540417214 1124082978 /nfs/dbraw/zinc/08/29/78/1124082978.db2.gz CIOHFWGCTIEUNN-ZWKOTPCHSA-N 0 0 333.476 2.258 10 10 EECERN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)n(Cc2ccccn2)n1 ZINC001545183024 1124182573 /nfs/dbraw/zinc/18/25/73/1124182573.db2.gz XILJPJBWAJPBRN-UHFFFAOYSA-N 0 0 338.367 2.227 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC001568017378 1124231862 /nfs/dbraw/zinc/23/18/62/1124231862.db2.gz JQHZLFGAUIXZKA-OAHLLOKOSA-N 0 0 346.814 2.467 10 10 EECERN CC(NCCCO)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000013519734 462894010 /nfs/dbraw/zinc/89/40/10/462894010.db2.gz ZUALAKFOCXRNMG-GXDHUFHOSA-N 0 0 330.413 2.265 10 10 EECERN O=S(=O)(c1cccc2nsnc21)N1CCOc2ccccc21 ZINC000032085809 463363660 /nfs/dbraw/zinc/36/36/60/463363660.db2.gz GVWPCQFAXXHLQL-UHFFFAOYSA-N 0 0 333.394 2.279 10 10 EECERN COC(=O)CCCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058573807 463609838 /nfs/dbraw/zinc/60/98/38/463609838.db2.gz NFRSBIAMJFXIBY-UHFFFAOYSA-N 0 0 333.432 2.212 10 10 EECERN O=C(N[C@@H]1CCCOC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000171619253 463893309 /nfs/dbraw/zinc/89/33/09/463893309.db2.gz YTQBNZZKBWTSIX-CVEARBPZSA-N 0 0 334.416 2.262 10 10 EECERN COc1ccc(N2CCN(c3nccnc3OC(F)F)CC2)cc1 ZINC000288060707 464030575 /nfs/dbraw/zinc/03/05/75/464030575.db2.gz FZHIAOHWBDFIAV-UHFFFAOYSA-N 0 0 336.342 2.413 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc1 ZINC000179067547 464050365 /nfs/dbraw/zinc/05/03/65/464050365.db2.gz FJEUQDNYPZOMEL-UHFFFAOYSA-N 0 0 340.427 2.190 10 10 EECERN CC(C)n1ncnc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000279953404 464169940 /nfs/dbraw/zinc/16/99/40/464169940.db2.gz HTBRHUTVFLUFAO-UHFFFAOYSA-N 0 0 329.448 2.328 10 10 EECERN CO[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000188800329 464372211 /nfs/dbraw/zinc/37/22/11/464372211.db2.gz MKPMXJHMKSSXOE-LSDHHAIUSA-N 0 0 349.475 2.118 10 10 EECERN Nc1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000237913546 464402263 /nfs/dbraw/zinc/40/22/63/464402263.db2.gz ZCEAHMSOMXLYHA-CQSZACIVSA-N 0 0 330.819 2.255 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCC(=O)NC2)cc1F ZINC000281373242 464431941 /nfs/dbraw/zinc/43/19/41/464431941.db2.gz VQRUDGKEKNEVIU-GOSISDBHSA-N 0 0 335.423 2.204 10 10 EECERN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294509053 464521974 /nfs/dbraw/zinc/52/19/74/464521974.db2.gz BYJSIHCMXJKIQV-DGCLKSJQSA-N 0 0 347.814 2.031 10 10 EECERN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(O)c1O ZINC000182885348 464749277 /nfs/dbraw/zinc/74/92/77/464749277.db2.gz IWDFQOGGRCXZNQ-SWLSCSKDSA-N 0 0 344.411 2.022 10 10 EECERN COCCCCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000274669629 464751317 /nfs/dbraw/zinc/75/13/17/464751317.db2.gz XQRMQHAZCHXZOQ-UHFFFAOYSA-N 0 0 340.489 2.473 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000371797891 466004076 /nfs/dbraw/zinc/00/40/76/466004076.db2.gz XGDWRTCUPIPIQO-OAHLLOKOSA-N 0 0 345.468 2.312 10 10 EECERN COCc1nc([C@@H]2COCCN2Cc2cc(Cl)ccc2O)no1 ZINC000364102274 466683219 /nfs/dbraw/zinc/68/32/19/466683219.db2.gz VVJCWSCMHXULEB-LBPRGKRZSA-N 0 0 339.779 2.149 10 10 EECERN Cn1cc(-c2c[nH]cc2C(=O)N2C[C@@H](CO)Cc3ccccc32)cn1 ZINC000646520965 470669517 /nfs/dbraw/zinc/66/95/17/470669517.db2.gz QACSVVBBGGWXDL-ZDUSSCGKSA-N 0 0 336.395 2.227 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(-n3cncn3)c2)c1 ZINC000734548988 577306709 /nfs/dbraw/zinc/30/67/09/577306709.db2.gz QBTIOVLGKZIAJE-LBPRGKRZSA-N 0 0 338.367 2.473 10 10 EECERN CCN(Cc1cn(C)nn1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773627044 577355375 /nfs/dbraw/zinc/35/53/75/577355375.db2.gz VQWHXOVVMDKGOI-ZDUSSCGKSA-N 0 0 330.436 2.174 10 10 EECERN COc1c([O-])c(C[NH2+]Cc2cccnc2N(C)C)ccc1[N+](=O)[O-] ZINC000774960762 577424727 /nfs/dbraw/zinc/42/47/27/577424727.db2.gz HXCGQKFPZVGCMX-UHFFFAOYSA-N 0 0 332.360 2.060 10 10 EECERN COc1c([O-])c(C[NH2+]CC[C@@H](OC)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775108926 577429987 /nfs/dbraw/zinc/42/99/87/577429987.db2.gz RGDZPEUMUTULSP-SNVBAGLBSA-N 0 0 338.282 2.366 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc(Cl)o1 ZINC000775236418 577433258 /nfs/dbraw/zinc/43/32/58/577433258.db2.gz VBLILRVQUHLZAP-UHFFFAOYSA-N 0 0 349.818 2.240 10 10 EECERN CCOC[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000777469761 577479377 /nfs/dbraw/zinc/47/93/77/577479377.db2.gz MIDJUBWTDZPXQQ-LSDHHAIUSA-N 0 0 335.448 2.308 10 10 EECERN Fc1cc(CN2CCC[C@H]2c2ncon2)ccc1N1CCOCC1 ZINC000769233022 577572977 /nfs/dbraw/zinc/57/29/77/577572977.db2.gz QQWDSRMUXIXNFU-INIZCTEOSA-N 0 0 332.379 2.382 10 10 EECERN O=C(CCc1ccc2c(c1)OCCO2)NCCc1ccc(O)c(O)c1 ZINC000762261352 577698279 /nfs/dbraw/zinc/69/82/79/577698279.db2.gz KDPRNGCZKQWJSW-UHFFFAOYSA-N 0 0 343.379 2.161 10 10 EECERN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000748459677 577962207 /nfs/dbraw/zinc/96/22/07/577962207.db2.gz IEYPLEPLTHUBAA-LBPRGKRZSA-N 0 0 348.424 2.356 10 10 EECERN CN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000740867041 578108460 /nfs/dbraw/zinc/10/84/60/578108460.db2.gz LCWSYBCUDFSICK-LBPRGKRZSA-N 0 0 341.473 2.262 10 10 EECERN O=C(COCC(F)(F)F)NCc1cc(Br)ccc1O ZINC000804736118 675610041 /nfs/dbraw/zinc/61/00/41/675610041.db2.gz OCJGNJXRPGCHGL-UHFFFAOYSA-N 0 0 342.111 2.350 10 10 EECERN Cn1ncc2c1nc(NCc1cc(Br)ccc1O)nc2N ZINC000804828459 675651255 /nfs/dbraw/zinc/65/12/55/675651255.db2.gz QGMQFDFQHLLZIW-UHFFFAOYSA-N 0 0 349.192 2.026 10 10 EECERN CN1C[C@@H](CC[NH2+]Cc2cccc(Br)c2[O-])CC1=O ZINC000723538055 676582002 /nfs/dbraw/zinc/58/20/02/676582002.db2.gz XHZPWJMSNINTCF-JTQLQIEISA-N 0 0 327.222 2.113 10 10 EECERN Cn1cnnc1[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897281592 686524554 /nfs/dbraw/zinc/52/45/54/686524554.db2.gz PGQSEWNGSQMMLA-SNVBAGLBSA-N 0 0 344.396 2.418 10 10 EECERN C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[S@]1=O ZINC000897566661 691626779 /nfs/dbraw/zinc/62/67/79/691626779.db2.gz VJVLNBXWNJSTSY-GTUYJWLHSA-N 0 0 339.438 2.296 10 10 EECERN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[S@](=O)C1 ZINC000897571815 691627394 /nfs/dbraw/zinc/62/73/94/691627394.db2.gz YWBVERCKAVJSJH-AUADJRAKSA-N 0 0 339.438 2.153 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000897866310 691805813 /nfs/dbraw/zinc/80/58/13/691805813.db2.gz WBDKVPXWJGFTLV-YAHNNNEBSA-N 0 0 343.471 2.338 10 10 EECERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](O)C(F)F ZINC000897884142 691811039 /nfs/dbraw/zinc/81/10/39/691811039.db2.gz DSQVGKNCSNWZBF-JVXZTZIISA-N 0 0 331.340 2.447 10 10 EECERN O=C(c1nn2c(c1Br)CCC2)N1Cc2cccc(O)c2C1 ZINC000899174571 693646328 /nfs/dbraw/zinc/64/63/28/693646328.db2.gz WLBYCJTVIXNHTJ-UHFFFAOYSA-N 0 0 348.200 2.453 10 10 EECERN CCc1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709156808 1187029223 /nfs/dbraw/zinc/02/92/23/1187029223.db2.gz OZPZTCFUPMSNDH-ZDUSSCGKSA-N 0 0 347.438 2.319 10 10 EECERN CCc1nnc(N2CCO[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001709156807 1187030137 /nfs/dbraw/zinc/03/01/37/1187030137.db2.gz OZPZTCFUPMSNDH-CYBMUJFWSA-N 0 0 347.438 2.319 10 10 EECERN CC[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCN1CC(F)F ZINC000841960283 1188209579 /nfs/dbraw/zinc/20/95/79/1188209579.db2.gz KOLSRYOLCWLRPI-OAHLLOKOSA-N 0 0 340.418 2.182 10 10 EECERN C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)C1CCCC1 ZINC000805802402 1191009405 /nfs/dbraw/zinc/00/94/05/1191009405.db2.gz RNKUNKWEKUESCA-LLVKDONJSA-N 0 0 341.502 2.436 10 10 EECERN Cc1ccccc1CN1CCO[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000871281192 1197672324 /nfs/dbraw/zinc/67/23/24/1197672324.db2.gz SBZYXKPOELSXMO-INIZCTEOSA-N 0 0 346.452 2.393 10 10 EECERN COC(=O)c1cc(OCCn2c(C)ncc2[N+](=O)[O-])ccc1N(C)C ZINC000871682439 1197832030 /nfs/dbraw/zinc/83/20/30/1197832030.db2.gz ZOCOOZFTFYKZBJ-UHFFFAOYSA-N 0 0 348.359 2.031 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3ncccc3N)CC2)cc1 ZINC000864950513 1198014354 /nfs/dbraw/zinc/01/43/54/1198014354.db2.gz YMPPRXNYGAZTSD-UHFFFAOYSA-N 0 0 326.400 2.025 10 10 EECERN CCO[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCOC1 ZINC000865054070 1198065190 /nfs/dbraw/zinc/06/51/90/1198065190.db2.gz OXANYWZKXORPIC-SJLPKXTDSA-N 0 0 332.444 2.127 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCC12CCOCC2 ZINC000865325340 1198169271 /nfs/dbraw/zinc/16/92/71/1198169271.db2.gz PQWZDUCATLOXME-HNNXBMFYSA-N 0 0 344.411 2.363 10 10 EECERN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)cc1 ZINC000874110414 1198794897 /nfs/dbraw/zinc/79/48/97/1198794897.db2.gz WUUSFOHWCIEHAN-IAGOWNOFSA-N 0 0 340.427 2.261 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H](OC)C3CCC3)CC2)c(OC)c1 ZINC000870166848 1200531528 /nfs/dbraw/zinc/53/15/28/1200531528.db2.gz WNOOQKIHCNYEEZ-GOSISDBHSA-N 0 0 348.443 2.168 10 10 EECERN COC[C@H](C)NC(=S)NCc1cc(Br)ccc1O ZINC000795154745 1201008028 /nfs/dbraw/zinc/00/80/28/1201008028.db2.gz UBTAYKWGEXNNNL-QMMMGPOBSA-N 0 0 333.251 2.154 10 10 EECERN O=S(=O)(CCOCC1CCCC1)N1Cc2cccc(O)c2C1 ZINC000867690600 1201660200 /nfs/dbraw/zinc/66/02/00/1201660200.db2.gz KFRDNGMDFASCDK-UHFFFAOYSA-N 0 0 325.430 2.244 10 10 EECERN Cc1cc(N)cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000868228145 1201770397 /nfs/dbraw/zinc/77/03/97/1201770397.db2.gz ABYPXZYQVGDBSY-UHFFFAOYSA-N 0 0 340.427 2.207 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000868902277 1201902424 /nfs/dbraw/zinc/90/24/24/1201902424.db2.gz CAFGDQRJAFUTEI-KVDVXYDOSA-N 0 0 329.444 2.284 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)Cn3ccc(C)n3)C2)cc1 ZINC000869228874 1201969902 /nfs/dbraw/zinc/96/99/02/1201969902.db2.gz PJFXXZSIFAMIFM-GDBMZVCRSA-N 0 0 342.443 2.231 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cc(C=O)oc3C)CC2)cc1 ZINC000929250746 1206459564 /nfs/dbraw/zinc/45/95/64/1206459564.db2.gz UQUAKVUXJHHKMF-UHFFFAOYSA-N 0 0 328.368 2.372 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@]12CCO[C@@H]1CCCC2 ZINC000930522806 1206564589 /nfs/dbraw/zinc/56/45/89/1206564589.db2.gz JHAZTTQWCWLAIT-QUCCMNQESA-N 0 0 344.455 2.489 10 10 EECERN COC(=O)C(=O)[C@@H](C)OC(=O)c1sccc1-n1c(C)ccc1C ZINC000778302614 1208097709 /nfs/dbraw/zinc/09/77/09/1208097709.db2.gz FSOSRUYVOXACRM-LLVKDONJSA-N 0 0 335.381 2.443 10 10 EECERN Cc1cc(CCNS(=O)(=O)N2CCC2)c(C)n1-c1ccccc1 ZINC000795775484 1215073360 /nfs/dbraw/zinc/07/33/60/1215073360.db2.gz RCBAYFZTXBAMPA-UHFFFAOYSA-N 0 0 333.457 2.177 10 10 EECERN CCN1CC[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1=O ZINC000801789355 1236190946 /nfs/dbraw/zinc/19/09/46/1236190946.db2.gz TXCONJKRZVTYDP-QGZVFWFLSA-N 0 0 325.412 2.445 10 10 EECERN O=[N+]([O-])c1cc(CN2C[C@@H]3COC[C@H](C2)O3)ccc1N1CCCCC1 ZINC000802656731 1237937768 /nfs/dbraw/zinc/93/77/68/1237937768.db2.gz QRGFAFFFHZSOJT-IYBDPMFKSA-N 0 0 347.415 2.185 10 10 EECERN C[C@H](C(=O)N(C)Cc1ccccc1O)N1CSCCSC1 ZINC001137345369 1250256485 /nfs/dbraw/zinc/25/64/85/1250256485.db2.gz FRVWNMWDMPGAHW-GFCCVEGCSA-N 0 0 326.487 2.436 10 10 EECERN C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850485822 1277243514 /nfs/dbraw/zinc/24/35/14/1277243514.db2.gz OAGQUPSVAPCRRP-LLVKDONJSA-N 0 0 342.417 2.166 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@H](OC)[C@H]2CCOC2)cc1 ZINC000851986714 1291943405 /nfs/dbraw/zinc/94/34/05/1291943405.db2.gz FROLCXZACCAFFA-WMZOPIPTSA-N 0 0 349.475 2.384 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCc3nccs3)C2)cc1 ZINC000852031661 1291962495 /nfs/dbraw/zinc/96/24/95/1291962495.db2.gz UWBLWVBSUZIBBQ-ZDUSSCGKSA-N 0 0 346.456 2.272 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NOCc3cccnc3)C2)cc1 ZINC000852221670 1292048194 /nfs/dbraw/zinc/04/81/94/1292048194.db2.gz FECNORNLXJVGPT-HNNXBMFYSA-N 0 0 342.399 2.100 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@](C)(OC)C3)C2)cc1 ZINC000852451334 1292117641 /nfs/dbraw/zinc/11/76/41/1292117641.db2.gz IINPMVHBJKFAAC-BEFAXECRSA-N 0 0 347.459 2.484 10 10 EECERN COC[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852454985 1292118767 /nfs/dbraw/zinc/11/87/67/1292118767.db2.gz RQYGKXRVQONTNQ-GDBMZVCRSA-N 0 0 333.432 2.094 10 10 EECERN C[C@@H](NC(=O)NCCCSc1nccs1)c1nccn1C ZINC000853859695 1292494027 /nfs/dbraw/zinc/49/40/27/1292494027.db2.gz WQNPECRMBQOGME-SNVBAGLBSA-N 0 0 325.463 2.419 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000853934267 1292537731 /nfs/dbraw/zinc/53/77/31/1292537731.db2.gz RNECSDVHUBLIDE-KBUVRSHFSA-N 0 0 332.356 2.254 10 10 EECERN COCc1nnc(NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000853955308 1292551910 /nfs/dbraw/zinc/55/19/10/1292551910.db2.gz KUDNLXAOCKQPQF-UHFFFAOYSA-N 0 0 334.445 2.258 10 10 EECERN CCN(CC(C)(C)O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854298701 1292710406 /nfs/dbraw/zinc/71/04/06/1292710406.db2.gz ABVLOXSZZVHYRJ-AWEZNQCLSA-N 0 0 335.448 2.076 10 10 EECERN CCOC[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854299221 1292710473 /nfs/dbraw/zinc/71/04/73/1292710473.db2.gz GQTNUBFETCAWEB-CVEARBPZSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3C[C@H](C)O)C2)cc1 ZINC000854300491 1292710911 /nfs/dbraw/zinc/71/09/11/1292710911.db2.gz UPDLOZKKFRZBCR-ZOBUZTSGSA-N 0 0 347.459 2.219 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]3C(C)(C)O)C2)cc1 ZINC000854299717 1292711145 /nfs/dbraw/zinc/71/11/45/1292711145.db2.gz RCSFFXNXVMBAMF-RHSMWYFYSA-N 0 0 347.459 2.219 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(CCCCO)C3CC3)C2)cc1 ZINC000854300736 1292712101 /nfs/dbraw/zinc/71/21/01/1292712101.db2.gz ZDBLILCBJYPCTG-HNNXBMFYSA-N 0 0 347.459 2.220 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](OC)C3CCC3)C2)cc1 ZINC000854981647 1293020317 /nfs/dbraw/zinc/02/03/17/1293020317.db2.gz XZYLHMVUHYSEHY-KBXCAEBGSA-N 0 0 332.444 2.453 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)cc1 ZINC000855223834 1293116717 /nfs/dbraw/zinc/11/67/17/1293116717.db2.gz CDFPSWUFLVFNPY-ZDUSSCGKSA-N 0 0 335.404 2.226 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC(=O)[C@@H]3C)C2)cc1 ZINC000855226043 1293118929 /nfs/dbraw/zinc/11/89/29/1293118929.db2.gz PQTURIKIPZAZOR-ILXRZTDVSA-N 0 0 330.428 2.395 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCCn3cccn3)C2)cc1 ZINC000855228513 1293119995 /nfs/dbraw/zinc/11/99/95/1293119995.db2.gz BJXRWOPRNKRXJC-HNNXBMFYSA-N 0 0 328.416 2.067 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3c(C)n[nH]c3C)C2)cc1 ZINC000855230639 1293120642 /nfs/dbraw/zinc/12/06/42/1293120642.db2.gz GPXSYCPCMAHCKV-HNNXBMFYSA-N 0 0 342.443 2.363 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(OC)cc3O)C2)cc1 ZINC000855231200 1293122313 /nfs/dbraw/zinc/12/23/13/1293122313.db2.gz IIKJXNLYMHVRBR-CYBMUJFWSA-N 0 0 342.395 2.418 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000856211466 1293446089 /nfs/dbraw/zinc/44/60/89/1293446089.db2.gz REJYWGRVZAVNKT-HNNXBMFYSA-N 0 0 339.439 2.463 10 10 EECERN Cc1c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)ccn1C ZINC000856213399 1293447310 /nfs/dbraw/zinc/44/73/10/1293447310.db2.gz KKKQTCSKHRIUDP-UHFFFAOYSA-N 0 0 327.428 2.225 10 10 EECERN CC(=O)N1CC[C@@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000857410878 1293816901 /nfs/dbraw/zinc/81/69/01/1293816901.db2.gz GDXQYMSBBATKAB-GOSISDBHSA-N 0 0 339.439 2.374 10 10 EECERN Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2c([O-])ccc(Cl)c2F)n1 ZINC000858327927 1294085065 /nfs/dbraw/zinc/08/50/65/1294085065.db2.gz CNUAROGBLQHWPZ-GXFFZTMASA-N 0 0 327.743 2.496 10 10 EECERN CCO[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000858780467 1294220945 /nfs/dbraw/zinc/22/09/45/1294220945.db2.gz APODYDMYLDEGFY-MJGOQNOKSA-N 0 0 347.459 2.014 10 10 EECERN CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCc1ccc2cccnc2c1O ZINC000862026646 1295660233 /nfs/dbraw/zinc/66/02/33/1295660233.db2.gz WBISFXUNCMJEKR-FZMZJTMJSA-N 0 0 345.399 2.327 10 10 EECERN CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC001118625460 1308904316 /nfs/dbraw/zinc/90/43/16/1308904316.db2.gz IRLNGTFCGZREHU-GOSISDBHSA-N 0 0 341.455 2.230 10 10 EECERN CO[C@@H]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC001119697787 1309163060 /nfs/dbraw/zinc/16/30/60/1309163060.db2.gz ZXVPHZGQNGJLPG-CHWSQXEVSA-N 0 0 338.791 2.377 10 10 EECERN COc1cncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001124549786 1310915594 /nfs/dbraw/zinc/91/55/94/1310915594.db2.gz QVUZDIIPGMAZRL-UHFFFAOYSA-N 0 0 326.400 2.358 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1nnc(C2CC2)[nH]1 ZINC001142419155 1315600967 /nfs/dbraw/zinc/60/09/67/1315600967.db2.gz PDICTNPERBFTNV-CYBMUJFWSA-N 0 0 341.459 2.346 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)CCCOC ZINC001142691062 1315705113 /nfs/dbraw/zinc/70/51/13/1315705113.db2.gz UGWVLLSNCJVMOF-AWEZNQCLSA-N 0 0 337.416 2.347 10 10 EECERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 ZINC001155234583 1317514740 /nfs/dbraw/zinc/51/47/40/1317514740.db2.gz LKGDFQAYLSDHCK-CABCVRRESA-N 0 0 339.395 2.221 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(O)=C(C)C(=O)OC(C)(C)C ZINC001157101544 1318403130 /nfs/dbraw/zinc/40/31/30/1318403130.db2.gz AVBDTVNQWCVQGR-NSHDSACASA-N 0 0 328.405 2.472 10 10 EECERN C[C@H](C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001284511085 1326592619 /nfs/dbraw/zinc/59/26/19/1326592619.db2.gz REGYLGCREBJOQQ-NSHDSACASA-N 0 0 345.403 2.083 10 10 EECERN C[C@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285660724 1327097726 /nfs/dbraw/zinc/09/77/26/1327097726.db2.gz WNNKPHACSBYEAU-ZWNOBZJWSA-N 0 0 345.403 2.130 10 10 EECERN COCCN(CCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001290698789 1328246371 /nfs/dbraw/zinc/24/63/71/1328246371.db2.gz CXNMWJKKBSBWKF-UHFFFAOYSA-N 0 0 329.396 2.358 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1CCSCCCO ZINC001290719350 1328249148 /nfs/dbraw/zinc/24/91/48/1328249148.db2.gz PKCBXPURQJQNFS-UHFFFAOYSA-N 0 0 336.461 2.044 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1=CCCC1 ZINC001295539062 1329820020 /nfs/dbraw/zinc/82/00/20/1329820020.db2.gz NWQXDUAYOQYEHW-NSHDSACASA-N 0 0 343.387 2.194 10 10 EECERN COc1c(NC(=O)C2=CC(=O)CS2)cc(Cl)cc1C(N)=O ZINC001297754170 1330002223 /nfs/dbraw/zinc/00/22/23/1330002223.db2.gz MUHGKXPTIXSSCO-UHFFFAOYSA-N 0 0 326.761 2.467 10 10 EECERN COc1cccc(C2(CNC(=O)Cc3ccc(O)c(O)c3)CC2)c1 ZINC001298738480 1330116388 /nfs/dbraw/zinc/11/63/88/1330116388.db2.gz WPKOECLFHKKDLT-UHFFFAOYSA-N 0 0 327.380 2.497 10 10 EECERN CC(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001303223677 1331350338 /nfs/dbraw/zinc/35/03/38/1331350338.db2.gz ZYGUVZTZMHQHQZ-UHFFFAOYSA-N 0 0 349.408 2.210 10 10 EECERN COc1cc(C(=O)NCc2cc(O)ccc2O)cc(OC)c1OC ZINC001303223111 1331350467 /nfs/dbraw/zinc/35/04/67/1331350467.db2.gz AODWTUFYANSDNW-UHFFFAOYSA-N 0 0 333.340 2.054 10 10 EECERN C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC001323501302 1333477735 /nfs/dbraw/zinc/47/77/35/1333477735.db2.gz LIIBFHLDKOJMSI-XEZPLFJOSA-N 0 0 335.423 2.136 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC12CC2 ZINC001329026829 1334571059 /nfs/dbraw/zinc/57/10/59/1334571059.db2.gz LQZRATNAOMPWBF-KBPBESRZSA-N 0 0 347.411 2.269 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)c1cncs1 ZINC001332864946 1335921514 /nfs/dbraw/zinc/92/15/14/1335921514.db2.gz BRPQHFKTQPSTGG-GFCCVEGCSA-N 0 0 346.456 2.011 10 10 EECERN O=Cc1cncc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC001333410080 1336038667 /nfs/dbraw/zinc/03/86/67/1336038667.db2.gz QDGUFZOHPWBWCT-UHFFFAOYSA-N 0 0 341.436 2.377 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@]23C[C@H]2CCCC3)cc1 ZINC001335051752 1336330884 /nfs/dbraw/zinc/33/08/84/1336330884.db2.gz ZHAWTDCFDALAPO-UZLBHIALSA-N 0 0 343.471 2.408 10 10 EECERN COC12CCC(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)(CC1)C(=O)C2 ZINC001351745375 1337843611 /nfs/dbraw/zinc/84/36/11/1337843611.db2.gz ODILBPVFBIEFDZ-RMEHTXHKSA-N 0 0 347.411 2.063 10 10 EECERN C[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)OCc1ccccc1 ZINC000848920008 1338806603 /nfs/dbraw/zinc/80/66/03/1338806603.db2.gz BHWKIDTULCUTOB-GFCCVEGCSA-N 0 0 329.352 2.342 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N(CCCO)Cc2ccccn2)cc1 ZINC001617559116 1352342202 /nfs/dbraw/zinc/34/22/02/1352342202.db2.gz CROHDONUSQEYNG-UHFFFAOYSA-N 0 0 341.371 2.269 10 10 EECERN CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1C1CC1 ZINC001617940644 1352346387 /nfs/dbraw/zinc/34/63/87/1352346387.db2.gz IZRAAEJNCITYPR-UHFFFAOYSA-N 0 0 341.415 2.077 10 10 EECERN COC(=O)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001565798946 1342562159 /nfs/dbraw/zinc/56/21/59/1342562159.db2.gz NMHUFYBDDCRIDU-GFCCVEGCSA-N 0 0 334.376 2.414 10 10 EECERN COc1ccccc1O[C@@H](C)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001587076109 1348857307 /nfs/dbraw/zinc/85/73/07/1348857307.db2.gz YYRUHAKALSWSLK-LBPRGKRZSA-N 0 0 331.368 2.233 10 10 EECERN CC(C)(C)n1ccnc1SCC(=O)NCc1cc(O)ccc1O ZINC001593873402 1349873218 /nfs/dbraw/zinc/87/32/18/1349873218.db2.gz OGHYWUMFTRMHJO-UHFFFAOYSA-N 0 0 335.429 2.458 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001595061015 1349881201 /nfs/dbraw/zinc/88/12/01/1349881201.db2.gz GFMGHPSSCXJIDF-ZWNOBZJWSA-N 0 0 333.306 2.257 10 10 EECERN CC(C)Oc1cccc([C@H](O)CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001622368155 1352382461 /nfs/dbraw/zinc/38/24/61/1352382461.db2.gz RPYIVXNRUUROQF-GOSISDBHSA-N 0 0 345.395 2.277 10 10 EECERN CN(C)c1cc(F)c(C(=O)NCc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC001622643033 1352386871 /nfs/dbraw/zinc/38/68/71/1352386871.db2.gz HEXAFAOQHOIGPH-UHFFFAOYSA-N 0 0 349.318 2.141 10 10 EECERN O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1ccc(O)c(O)c1 ZINC001622643620 1352386982 /nfs/dbraw/zinc/38/69/82/1352386982.db2.gz SRARHVPKBWZYPO-UHFFFAOYSA-N 0 0 349.774 2.189 10 10 EECERN COC[C@H](C)CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001623928434 1352409226 /nfs/dbraw/zinc/40/92/26/1352409226.db2.gz MUPWAKTVSQZVPM-LLVKDONJSA-N 0 0 343.807 2.220 10 10 EECERN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001624954175 1352435760 /nfs/dbraw/zinc/43/57/60/1352435760.db2.gz FFORGAQXZOBSTH-SECBINFHSA-N 0 0 331.328 2.070 10 10 EECERN COC(=O)CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001626733368 1352471302 /nfs/dbraw/zinc/47/13/02/1352471302.db2.gz UYHKZXPTSMARCX-UHFFFAOYSA-N 0 0 332.360 2.455 10 10 EECERN COC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1 ZINC001627070095 1352481799 /nfs/dbraw/zinc/48/17/99/1352481799.db2.gz WWGCAYPVUXFNQC-UHFFFAOYSA-N 0 0 337.335 2.052 10 10 EECERN COc1ccccc1[C@@H](O)C(=O)NCc1ccc2cccnc2c1O ZINC001627073433 1352482516 /nfs/dbraw/zinc/48/25/16/1352482516.db2.gz NHHQLXABAYEJRE-GOSISDBHSA-N 0 0 338.363 2.299 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCOCC(C)C ZINC001630481042 1352569400 /nfs/dbraw/zinc/56/94/00/1352569400.db2.gz MUDGHIUTVPANSC-UHFFFAOYSA-N 0 0 337.416 2.347 10 10 EECERN CC(=O)N[C@@H](CC(=O)NCc1cc(O)ccc1O)c1cccs1 ZINC001644752541 1352767892 /nfs/dbraw/zinc/76/78/92/1352767892.db2.gz JRTLSEQWWYCMGI-ZDUSSCGKSA-N 0 0 334.397 2.043 10 10 EECERN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCc1cc(O)ccc1O ZINC001644752619 1352767966 /nfs/dbraw/zinc/76/79/66/1352767966.db2.gz MXLLHJXIUYYKPN-GFCCVEGCSA-N 0 0 334.416 2.189 10 10 EECERN COc1ccc(N(C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC001646863250 1353016177 /nfs/dbraw/zinc/01/61/77/1353016177.db2.gz FZZLVXGAONSURJ-UHFFFAOYSA-N 0 0 326.356 2.352 10 10 EECERN Cn1nnc2cc(C(=O)NCc3c(O)ccc4ccccc43)cnc21 ZINC001647791845 1353401713 /nfs/dbraw/zinc/40/17/13/1353401713.db2.gz WRUKGOZYJOMYSH-UHFFFAOYSA-N 0 0 333.351 2.152 10 10 EECERN O=C(CCn1sc2ccccc2c1=O)NCc1c(O)cccc1O ZINC001652629178 1354097603 /nfs/dbraw/zinc/09/76/03/1354097603.db2.gz ZHIQKCUAZLIZFL-UHFFFAOYSA-N 0 0 344.392 2.181 10 10 EECERN Cc1nnc2n1CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]2C ZINC001671851730 1356425540 /nfs/dbraw/zinc/42/55/40/1356425540.db2.gz IZZKPUKDHASXFR-CHWSQXEVSA-N 0 0 342.447 2.500 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1(CCO)CC1 ZINC000840478881 782655869 /nfs/dbraw/zinc/65/58/69/782655869.db2.gz CTEOOSHMRMOBNO-HNNXBMFYSA-N 0 0 333.476 2.454 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccccc1CCNC(=O)OC(C)(C)C ZINC000840588195 782720068 /nfs/dbraw/zinc/72/00/68/782720068.db2.gz MBDDLSRLQSFVHJ-UHFFFAOYSA-N 0 0 349.383 2.069 10 10 EECERN C[C@H](NC(=S)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000140013207 790912484 /nfs/dbraw/zinc/91/24/84/790912484.db2.gz PLROXBYCVGRGPI-YOEHRIQHSA-N 0 0 349.500 2.227 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000906316863 783837602 /nfs/dbraw/zinc/83/76/02/783837602.db2.gz HUMPHYIZTKWCPW-GUYCJALGSA-N 0 0 336.407 2.094 10 10 EECERN CCc1nc[nH]c1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000906354392 783861715 /nfs/dbraw/zinc/86/17/15/783861715.db2.gz YFZXVVLRGMUTKU-UHFFFAOYSA-N 0 0 328.416 2.333 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC000817878043 785039688 /nfs/dbraw/zinc/03/96/88/785039688.db2.gz MTTPCHFCYXSBCX-HOTGVXAUSA-N 0 0 348.443 2.205 10 10 EECERN O=C(/C=C\[C@H]1CCCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000819132479 785417530 /nfs/dbraw/zinc/41/75/30/785417530.db2.gz WQIBEQCTODSUKG-ZDTYVGOBSA-N 0 0 334.391 2.014 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000820058356 785763613 /nfs/dbraw/zinc/76/36/13/785763613.db2.gz QMYTYRKRVSFZJA-HNNXBMFYSA-N 0 0 339.395 2.121 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc2c1CC(=O)N2 ZINC000821842369 786905720 /nfs/dbraw/zinc/90/57/20/786905720.db2.gz LTLDRKNRGWBRFS-UHFFFAOYSA-N 0 0 336.395 2.106 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC001136546299 787052404 /nfs/dbraw/zinc/05/24/04/787052404.db2.gz CORWMKXFBZEFFP-UHFFFAOYSA-N 0 0 344.371 2.330 10 10 EECERN O=C(NCc1ccc(O)cc1O)C1([C@H]2CCCCO2)CCOCC1 ZINC000910954983 787134712 /nfs/dbraw/zinc/13/47/12/787134712.db2.gz CDISQDYMUWRUAH-MRXNPFEDSA-N 0 0 335.400 2.080 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC000911303467 787367619 /nfs/dbraw/zinc/36/76/19/787367619.db2.gz JCWGFROEKJXSCU-XJKSGUPXSA-N 0 0 335.400 2.099 10 10 EECERN Cc1cnn(C)c1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000824379484 788153454 /nfs/dbraw/zinc/15/34/54/788153454.db2.gz HJAAFCKZAUBEQI-UHFFFAOYSA-N 0 0 343.431 2.229 10 10 EECERN O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824455085 788191276 /nfs/dbraw/zinc/19/12/76/788191276.db2.gz ODKAHJKBGPWVGL-SNVBAGLBSA-N 0 0 328.771 2.459 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)c2cncnc2)cc1 ZINC000844856614 789402476 /nfs/dbraw/zinc/40/24/76/789402476.db2.gz QVVHJQJIZZTKCT-CQSZACIVSA-N 0 0 328.416 2.184 10 10 EECERN O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000714343033 794922798 /nfs/dbraw/zinc/92/27/98/794922798.db2.gz UJITZSLMIZXBCE-LLVKDONJSA-N 0 0 348.262 2.212 10 10 EECERN COCC[C@H](COC)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715818157 795537955 /nfs/dbraw/zinc/53/79/55/795537955.db2.gz MOOZDVZBIUPALY-LLVKDONJSA-N 0 0 336.201 2.435 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC([C@H](C)O)C2)CCCC1 ZINC001175204710 798019503 /nfs/dbraw/zinc/01/95/03/798019503.db2.gz RTRTUMNPYJUYCY-ZDUSSCGKSA-N 0 0 342.439 2.368 10 10 EECERN C[C@@]1(C(=O)NCc2cc(O)ccc2O)CC(c2ccccc2)=NO1 ZINC001176756141 798571121 /nfs/dbraw/zinc/57/11/21/798571121.db2.gz YDLYONGQWDVXDW-SFHVURJKSA-N 0 0 326.352 2.297 10 10 EECERN C[C@@H](NC(=O)N1C[C@@H](O)CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000786815260 806911151 /nfs/dbraw/zinc/91/11/51/806911151.db2.gz KREARLNABPMNRI-RISCZKNCSA-N 0 0 327.375 2.225 10 10 EECERN Cc1cc(C(=O)CN2CCNC(=O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000103470751 804221431 /nfs/dbraw/zinc/22/14/31/804221431.db2.gz QIFIRFGDEAETEM-UHFFFAOYSA-N 0 0 339.439 2.407 10 10 EECERN COCCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 ZINC000787242484 807051595 /nfs/dbraw/zinc/05/15/95/807051595.db2.gz MMFOYVAWLPSEEK-QGZVFWFLSA-N 0 0 335.448 2.008 10 10 EECERN CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000788973810 807786662 /nfs/dbraw/zinc/78/66/62/807786662.db2.gz XWQVHUSXPIRFKX-JTQLQIEISA-N 0 0 329.238 2.420 10 10 EECERN Cc1ccncc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000791423489 809254536 /nfs/dbraw/zinc/25/45/36/809254536.db2.gz QBHFEXBIIDWGJO-UHFFFAOYSA-N 0 0 331.441 2.469 10 10 EECERN CN(C)c1ccc(CN2CCN3C(=O)N=NC3C2)c(C(F)(F)F)c1 ZINC000793080606 810130600 /nfs/dbraw/zinc/13/06/00/810130600.db2.gz UYTQMNVHZAVHHH-UHFFFAOYSA-N 0 0 341.337 2.084 10 10 EECERN CSCCCCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807264364 812178840 /nfs/dbraw/zinc/17/88/40/812178840.db2.gz IZUJOSQBEFPXIP-ZDUSSCGKSA-N 0 0 337.489 2.189 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccccc1N(C)C(=O)c1cccs1 ZINC000808493296 812663980 /nfs/dbraw/zinc/66/39/80/812663980.db2.gz YYWYUARGYVAKNS-UHFFFAOYSA-N 0 0 345.376 2.340 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000808533136 812704304 /nfs/dbraw/zinc/70/43/04/812704304.db2.gz FNUPKSHLPIMILK-UHFFFAOYSA-N 0 0 338.209 2.204 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2cc(O)ccc2O)C1 ZINC001455356111 1108474691 /nfs/dbraw/zinc/47/46/91/1108474691.db2.gz WXPYCSNCAOAMCU-NWDGAFQWSA-N 0 0 335.400 2.472 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC(C)(C)C(=O)OCC ZINC001467839998 1110464861 /nfs/dbraw/zinc/46/48/61/1110464861.db2.gz INTXHMYQZHDFQM-UHFFFAOYSA-N 0 0 328.405 2.474 10 10 EECERN CC(C)n1ccnc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001470447288 1110506247 /nfs/dbraw/zinc/50/62/47/1110506247.db2.gz FFQUXGDLQKAIAQ-UHFFFAOYSA-N 0 0 342.443 2.355 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cccnc1N1CCCCC1 ZINC001471661329 1110527796 /nfs/dbraw/zinc/52/77/96/1110527796.db2.gz NLBXHTQXRHRGIB-UHFFFAOYSA-N 0 0 327.384 2.413 10 10 EECERN C/C=C(/C)C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001510625564 1117820006 /nfs/dbraw/zinc/82/00/06/1117820006.db2.gz SMKQESIUHMMRKA-DJXMCKHYSA-N 0 0 345.403 2.392 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCc2nncn2C1 ZINC001540567503 1124086935 /nfs/dbraw/zinc/08/69/35/1124086935.db2.gz OJXJAQFCEOOPGW-INIZCTEOSA-N 0 0 339.443 2.099 10 10 EECERN Cc1ccc(C(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)c(O)c1O ZINC001545195748 1124182707 /nfs/dbraw/zinc/18/27/07/1124182707.db2.gz MYWTXQXPWYIVBY-ZDUSSCGKSA-N 0 0 348.786 2.406 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cnc([C@H](C)O)s3)CC2)cc1 ZINC001545556672 1124195422 /nfs/dbraw/zinc/19/54/22/1124195422.db2.gz UNXXBBMPXOPLFA-LBPRGKRZSA-N 0 0 347.440 2.167 10 10 EECERN CN(C)c1ccc(CN(C(=O)C(=O)N(C)CC2CC2)C2CC2)cc1 ZINC000297472987 465258114 /nfs/dbraw/zinc/25/81/14/465258114.db2.gz BLMRHCJSVGPZQK-UHFFFAOYSA-N 0 0 329.444 2.112 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000069846208 463337732 /nfs/dbraw/zinc/33/77/32/463337732.db2.gz UXIAFLKZFUMYHC-HUUCEWRRSA-N 0 0 347.459 2.483 10 10 EECERN CCN(C[C@@H]1CCOC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000071889016 463458212 /nfs/dbraw/zinc/45/82/12/463458212.db2.gz LEDNGTXXDHSHTN-MOTZXUDYSA-N 0 0 344.455 2.421 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CC[C@H](N3CCOCC3)C2)c1O ZINC000170812315 463711167 /nfs/dbraw/zinc/71/11/67/463711167.db2.gz HQKQKKJODDQYIK-HNNXBMFYSA-N 0 0 338.835 2.155 10 10 EECERN Cc1cccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000282971321 463719551 /nfs/dbraw/zinc/71/95/51/463719551.db2.gz IOLXABAVHMUAIR-KRWDZBQOSA-N 0 0 340.423 2.470 10 10 EECERN Cn1cc([C@H](NC(=O)NCc2ccccc2O)C(F)(F)F)cn1 ZINC000278189845 463958169 /nfs/dbraw/zinc/95/81/69/463958169.db2.gz BVWPBRHCBPWXTN-LBPRGKRZSA-N 0 0 328.294 2.229 10 10 EECERN COC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000172549129 464104490 /nfs/dbraw/zinc/10/44/90/464104490.db2.gz CBACXDRELYSZBU-INIZCTEOSA-N 0 0 345.443 2.381 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@H](C)c3cn[nH]c3)CC2)cc1F ZINC000270288433 464245456 /nfs/dbraw/zinc/24/54/56/464245456.db2.gz NBVMJGFNRUIRSB-GFCCVEGCSA-N 0 0 347.394 2.150 10 10 EECERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000263941392 464246998 /nfs/dbraw/zinc/24/69/98/464246998.db2.gz ZVFLONICDBRTBY-CZUORRHYSA-N 0 0 349.500 2.316 10 10 EECERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]2C ZINC000188713509 464350146 /nfs/dbraw/zinc/35/01/46/464350146.db2.gz QVYDVRCNFAPYDP-HOSRBBHYSA-N 0 0 342.399 2.429 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@H](C)OC)CC2)cc1F ZINC000188794666 464371337 /nfs/dbraw/zinc/37/13/37/464371337.db2.gz WLMUIMRJWYWQBO-STQMWFEESA-N 0 0 339.411 2.089 10 10 EECERN CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc2c(c1)OCO2 ZINC000245618907 464499409 /nfs/dbraw/zinc/49/94/09/464499409.db2.gz AWHSNJGAWATBFR-CABCVRRESA-N 0 0 332.400 2.022 10 10 EECERN COc1cccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1O ZINC000247245347 464660129 /nfs/dbraw/zinc/66/01/29/464660129.db2.gz ZRCQBMMQLLCSOX-DAXOMENPSA-N 0 0 332.400 2.158 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC(C)(CO)CC2)c([N+](=O)[O-])c1 ZINC000273892970 464726622 /nfs/dbraw/zinc/72/66/22/464726622.db2.gz UIKAFIOAEYCFDT-GQCTYLIASA-N 0 0 334.372 2.380 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-n2ccnc2)ccn1 ZINC000352496753 465535203 /nfs/dbraw/zinc/53/52/03/465535203.db2.gz ZHBSEVHCUZUWIY-UHFFFAOYSA-N 0 0 349.394 2.373 10 10 EECERN C[C@H]1[C@H](NC(=O)c2cccc(O)c2O)CC(=O)N1Cc1ccccc1 ZINC000366846367 465969907 /nfs/dbraw/zinc/96/99/07/465969907.db2.gz BLWCUGOZXXTOHX-SWLSCSKDSA-N 0 0 340.379 2.017 10 10 EECERN CCOCc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)ccc1OC ZINC000363264298 466318058 /nfs/dbraw/zinc/31/80/58/466318058.db2.gz LCEPRLYOISGDTB-XKQJLSEDSA-N 0 0 332.444 2.331 10 10 EECERN O=C1COC[C@H](C[C@@H]2CN(Cc3ccccc3O)c3ccccc32)N1 ZINC000368142907 466583858 /nfs/dbraw/zinc/58/38/58/466583858.db2.gz NOSLYTINTKGWSD-CVEARBPZSA-N 0 0 338.407 2.401 10 10 EECERN COC(=O)[C@@H](CF)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000292648217 534255405 /nfs/dbraw/zinc/25/54/05/534255405.db2.gz QBXHMNMUUWEECO-MRXNPFEDSA-N 0 0 348.374 2.344 10 10 EECERN COc1cc2c(cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)OCO2 ZINC000773750263 577362704 /nfs/dbraw/zinc/36/27/04/577362704.db2.gz WCDUMCKNPKYEEX-SNVBAGLBSA-N 0 0 345.351 2.196 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)NCC1CCCCC1 ZINC000774494055 577401010 /nfs/dbraw/zinc/40/10/10/577401010.db2.gz BYRIHWLVCDHLNF-UHFFFAOYSA-N 0 0 341.502 2.438 10 10 EECERN COc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)nn1C ZINC000775914784 577448703 /nfs/dbraw/zinc/44/87/03/577448703.db2.gz ZQSYYTCYLOPIFK-UHFFFAOYSA-N 0 0 327.388 2.127 10 10 EECERN C[C@H](NC(=O)N1CCC(OCCCO)CC1)c1ccc(N(C)C)cc1 ZINC000776243472 577455540 /nfs/dbraw/zinc/45/55/40/577455540.db2.gz BWOZJYDPDAINQM-HNNXBMFYSA-N 0 0 349.475 2.387 10 10 EECERN COc1ccc2c(c1)CCCCN2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766268971 577516172 /nfs/dbraw/zinc/51/61/72/577516172.db2.gz HXGQGYWDUJCVOJ-LJQANCHMSA-N 0 0 344.455 2.475 10 10 EECERN C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C ZINC000768903285 577565405 /nfs/dbraw/zinc/56/54/05/577565405.db2.gz ANPLTIPGVRSJOC-LLVKDONJSA-N 0 0 338.404 2.060 10 10 EECERN Cc1cc(C)c2c(N)c(C(=O)OC[C@H](O)COC(C)C)sc2n1 ZINC000769102594 577569706 /nfs/dbraw/zinc/56/97/06/577569706.db2.gz PMPHHVNYHPLPGR-LLVKDONJSA-N 0 0 338.429 2.438 10 10 EECERN Cc1ncsc1-c1nc(COC(=O)c2cccc(O)c2O)no1 ZINC000758572264 577627540 /nfs/dbraw/zinc/62/75/40/577627540.db2.gz IDKWGMNPFHEMFK-UHFFFAOYSA-N 0 0 333.325 2.270 10 10 EECERN COC(=O)[C@H]1CCN(C(=O)/C=C\c2cnn(C)c2)c2ccccc21 ZINC000759957602 577654820 /nfs/dbraw/zinc/65/48/20/577654820.db2.gz QONSIQQTPLCPTI-LZNQSLFOSA-N 0 0 325.368 2.127 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCC(C(N)=O)CC1 ZINC000747582262 577946561 /nfs/dbraw/zinc/94/65/61/577946561.db2.gz CAMQVXZUIKFXGV-UHFFFAOYSA-N 0 0 346.475 2.328 10 10 EECERN CCOC(=O)CN(CC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000749175832 577972126 /nfs/dbraw/zinc/97/21/26/577972126.db2.gz DIYQIBZELXJCIA-CLFYSBASSA-N 0 0 336.344 2.170 10 10 EECERN CN1C[C@H](CC[NH2+]Cc2cccc(Br)c2[O-])CC1=O ZINC000723538058 676581994 /nfs/dbraw/zinc/58/19/94/676581994.db2.gz XHZPWJMSNINTCF-SNVBAGLBSA-N 0 0 327.222 2.113 10 10 EECERN COC(=O)c1c(C[NH2+]CCC2(O)CCC2)c2cc(F)ccc2n1C ZINC000894700685 683036773 /nfs/dbraw/zinc/03/67/73/683036773.db2.gz ZBDAWQWWVICHER-UHFFFAOYSA-N 0 0 334.391 2.499 10 10 EECERN Cc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)c(O)c1O ZINC000914389158 683541883 /nfs/dbraw/zinc/54/18/83/683541883.db2.gz ONQDOKIFNAKTOP-CYBMUJFWSA-N 0 0 335.400 2.112 10 10 EECERN CN(C)c1ccc(/C=C/CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1 ZINC000895199208 684280461 /nfs/dbraw/zinc/28/04/61/684280461.db2.gz GZMUAWOESHXCHD-UABRLCRWSA-N 0 0 349.500 2.484 10 10 EECERN COC(=O)c1c(CNC[C@@H]2CC(C)=NO2)c2cc(F)ccc2n1C ZINC000895300042 684465334 /nfs/dbraw/zinc/46/53/34/684465334.db2.gz RQZODPOXEMSZST-LBPRGKRZSA-N 0 0 333.363 2.358 10 10 EECERN CC(=O)N1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895502972 684622643 /nfs/dbraw/zinc/62/26/43/684622643.db2.gz INRSQKYXJSWYGH-UHFFFAOYSA-N 0 0 334.397 2.007 10 10 EECERN CCO[C@H]1COCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897389763 688738338 /nfs/dbraw/zinc/73/83/38/688738338.db2.gz BOKRBQWHJWKELE-GWCFXTLKSA-N 0 0 337.397 2.236 10 10 EECERN O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cc2cc(O)c(O)cc2s1 ZINC000899160806 693634554 /nfs/dbraw/zinc/63/45/54/693634554.db2.gz HHEXVUYBHDQSGH-FRBJZEAYSA-N 0 0 331.393 2.466 10 10 EECERN Cc1cc(C(=O)NCCCn2ccnn2)c(C)n1-c1ccc(C#N)cc1 ZINC000184997754 1192514015 /nfs/dbraw/zinc/51/40/15/1192514015.db2.gz ZRMCXJPULMQSDI-UHFFFAOYSA-N 0 0 348.410 2.377 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1CCn1cc(Cl)cn1 ZINC001707861767 1176077583 /nfs/dbraw/zinc/07/75/83/1176077583.db2.gz UXHORTSUXIXPKS-UHFFFAOYSA-N 0 0 346.822 2.479 10 10 EECERN C[C@@H](CNC(=O)C1CCC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486782734 1194244536 /nfs/dbraw/zinc/24/45/36/1194244536.db2.gz OWXSRJZUOZYJOA-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN Cc1nsc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000794734859 1197915679 /nfs/dbraw/zinc/91/56/79/1197915679.db2.gz KZVLEYCBNNKDMW-UHFFFAOYSA-N 0 0 334.470 2.330 10 10 EECERN CCO[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC000864863377 1197972278 /nfs/dbraw/zinc/97/22/78/1197972278.db2.gz PJHNHLBVRBOGNL-WMZOPIPTSA-N 0 0 332.444 2.345 10 10 EECERN CO[C@H]1CN2C(=O)N(Cc3ccc4c(c3)CCCN4C)C(=O)[C@@]2(C)C1 ZINC000865302650 1198160298 /nfs/dbraw/zinc/16/02/98/1198160298.db2.gz YUHHQALBCNKIDX-DNVCBOLYSA-N 0 0 343.427 2.011 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC(Cc3cnn(C)c3)C2)cc1OC ZINC000865957737 1198436943 /nfs/dbraw/zinc/43/69/43/1198436943.db2.gz MMKVZSYOPBCBNB-UHFFFAOYSA-N 0 0 332.360 2.024 10 10 EECERN CCOC1(C)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000813609743 1199114461 /nfs/dbraw/zinc/11/44/61/1199114461.db2.gz MGZHVWAMWILUCV-UHFFFAOYSA-N 0 0 335.360 2.321 10 10 EECERN Cc1cc(=O)[nH]c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000814627239 1199632846 /nfs/dbraw/zinc/63/28/46/1199632846.db2.gz FEXXNBJYPHACKA-AWEZNQCLSA-N 0 0 341.411 2.423 10 10 EECERN COc1ccc(N2CCN(C(=O)CC3CSC3)CC2)c(OC)c1 ZINC000870166284 1200531312 /nfs/dbraw/zinc/53/13/12/1200531312.db2.gz KDSRDQGJQRFRPI-UHFFFAOYSA-N 0 0 336.457 2.106 10 10 EECERN O=C(NCCC1(O)CCC1)NCc1cc(Br)ccc1O ZINC000805477388 1201114236 /nfs/dbraw/zinc/11/42/36/1201114236.db2.gz IXUNLCDGBYWTEQ-UHFFFAOYSA-N 0 0 343.221 2.259 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)/C=C/COC2CCOCC2)c1 ZINC000866763488 1201600448 /nfs/dbraw/zinc/60/04/48/1201600448.db2.gz DWXQAXCKRRQPRT-ITDFMYJTSA-N 0 0 335.400 2.330 10 10 EECERN COC(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000867502674 1201623881 /nfs/dbraw/zinc/62/38/81/1201623881.db2.gz AEIUDPCHQLVOKH-CYBMUJFWSA-N 0 0 341.411 2.354 10 10 EECERN C[C@H](NC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1ccccc1O ZINC000868784400 1201878800 /nfs/dbraw/zinc/87/88/00/1201878800.db2.gz HMGQMJGBWDFZFW-UONOGXRCSA-N 0 0 346.431 2.043 10 10 EECERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000868890148 1201899367 /nfs/dbraw/zinc/89/93/67/1201899367.db2.gz OZZMRKZZJSWLAQ-RDTXWAMCSA-N 0 0 331.460 2.119 10 10 EECERN COc1ccc(CNC(=O)NC[C@H]2c3ccccc3CN2C)c(O)c1 ZINC000869106334 1201940832 /nfs/dbraw/zinc/94/08/32/1201940832.db2.gz FKPLISFZDIJZBR-KRWDZBQOSA-N 0 0 341.411 2.387 10 10 EECERN COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000886318939 1202491837 /nfs/dbraw/zinc/49/18/37/1202491837.db2.gz KTBADXSEIOBUIV-HIFRSBDPSA-N 0 0 327.384 2.171 10 10 EECERN O=C(C[C@H]1CC[C@@H](C(F)(F)F)O1)OCC(=O)c1ccc(O)c(O)c1 ZINC000923720111 1205901943 /nfs/dbraw/zinc/90/19/43/1205901943.db2.gz AXQKKSAALPJING-RNCFNFMXSA-N 0 0 348.273 2.324 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)NC2CC(CC(N)=O)C2)cc1 ZINC000928046553 1206330802 /nfs/dbraw/zinc/33/08/02/1206330802.db2.gz MKMUWFXHMGDXET-UHFFFAOYSA-N 0 0 325.412 2.478 10 10 EECERN Cn1nc([C@H]2CCCOC2)cc1NC(=O)NCc1c(O)cccc1F ZINC000931158410 1206611809 /nfs/dbraw/zinc/61/18/09/1206611809.db2.gz PQIGXFNVJQLUEB-NSHDSACASA-N 0 0 348.378 2.481 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCC3(CCNC(=O)O3)CC2)c1O ZINC000932762384 1207672827 /nfs/dbraw/zinc/67/28/27/1207672827.db2.gz LZMZKBQJDTZRNK-UHFFFAOYSA-N 0 0 336.363 2.198 10 10 EECERN C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000077777546 1209963890 /nfs/dbraw/zinc/96/38/90/1209963890.db2.gz SJUULBJCENDAPT-UONOGXRCSA-N 0 0 337.489 2.056 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000779535446 1210441361 /nfs/dbraw/zinc/44/13/61/1210441361.db2.gz XGJPVDDQGWZVNJ-LZCIBIBXSA-N 0 0 341.363 2.417 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@H]1C(F)F ZINC000800847595 1234670148 /nfs/dbraw/zinc/67/01/48/1234670148.db2.gz FVCSZGKYNGSGBM-RYUDHWBXSA-N 0 0 328.334 2.180 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C\c1c[nH]c(Br)c1 ZINC000901442369 1235805134 /nfs/dbraw/zinc/80/51/34/1235805134.db2.gz HVIKOJZWTXUZFB-UITAMQMPSA-N 0 0 342.218 2.080 10 10 EECERN O=C(COC(=O)C1(C(F)(F)F)CCOCC1)c1ccc(O)c(O)c1 ZINC000850138294 1277062538 /nfs/dbraw/zinc/06/25/38/1277062538.db2.gz CXWBFXMYTPCWEP-UHFFFAOYSA-N 0 0 348.273 2.183 10 10 EECERN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)c2ncnn21 ZINC000852138476 1292008926 /nfs/dbraw/zinc/00/89/26/1292008926.db2.gz OUVJCFQHYSNHNC-CZUORRHYSA-N 0 0 338.415 2.160 10 10 EECERN COC[C@H](CCNC(=O)NCc1c(O)ccc2c1CCCC2)OC ZINC000852449505 1292117007 /nfs/dbraw/zinc/11/70/07/1292117007.db2.gz UUCSAYTUGLQJBH-AWEZNQCLSA-N 0 0 336.432 2.122 10 10 EECERN Cc1cc(CC(=O)N2CCC[C@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000854242729 1292684584 /nfs/dbraw/zinc/68/45/84/1292684584.db2.gz FKFZRIUEZYANFD-INIZCTEOSA-N 0 0 339.439 2.361 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)C(=O)OC(C)(C)C)C2)cc1 ZINC000855225176 1293117945 /nfs/dbraw/zinc/11/79/45/1293117945.db2.gz OWDGPRFRRFMIFN-ZIAGYGMSSA-N 0 0 348.443 2.368 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3cccnc3)C2)cc1 ZINC000855229259 1293120784 /nfs/dbraw/zinc/12/07/84/1293120784.db2.gz LVEBIJLGRFGYIT-INIZCTEOSA-N 0 0 325.412 2.418 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)C2)cc1 ZINC000855234075 1293122943 /nfs/dbraw/zinc/12/29/43/1293122943.db2.gz RSWUWUKJANEGEA-ZNMIVQPWSA-N 0 0 330.428 2.395 10 10 EECERN COC(=O)c1ccnc(NCc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000856722296 1293606677 /nfs/dbraw/zinc/60/66/77/1293606677.db2.gz LHSOCGNGVZWKMI-UHFFFAOYSA-N 0 0 330.344 2.455 10 10 EECERN CN(C)c1cc(F)c(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1F ZINC000862386720 1295820838 /nfs/dbraw/zinc/82/08/38/1295820838.db2.gz AOGPIJKUVJZPAL-GOEBONIOSA-N 0 0 344.427 2.182 10 10 EECERN CNC(=O)C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000797546030 1304770376 /nfs/dbraw/zinc/77/03/76/1304770376.db2.gz NUTTTXSKCABMGA-INIZCTEOSA-N 0 0 341.411 2.411 10 10 EECERN O=C(Nc1nc2n(n1)CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC001142161459 1315503217 /nfs/dbraw/zinc/50/32/17/1315503217.db2.gz GBQSTZQLCLHCNM-UHFFFAOYSA-N 0 0 330.369 2.493 10 10 EECERN CCc1ccccc1-n1cc(C(=O)NCc2ccc(O)c(O)c2)nn1 ZINC001150376989 1316248093 /nfs/dbraw/zinc/24/80/93/1316248093.db2.gz FMEZSELDWAYUDY-UHFFFAOYSA-N 0 0 338.367 2.171 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(Cc2cccc(F)c2)CC1 ZINC001153249784 1316797940 /nfs/dbraw/zinc/79/79/40/1316797940.db2.gz UQTGRCFZMXZDMG-UHFFFAOYSA-N 0 0 344.386 2.124 10 10 EECERN CCn1ncc2cc(C(=O)NCc3cccc(O)c3O)c(C)nc21 ZINC001153798669 1316885663 /nfs/dbraw/zinc/88/56/63/1316885663.db2.gz VKTSLNMMOBFEKT-UHFFFAOYSA-N 0 0 326.356 2.101 10 10 EECERN Cc1ccc(Br)nc1C(=O)NCc1cc(O)ccc1O ZINC001153886124 1316908336 /nfs/dbraw/zinc/90/83/36/1316908336.db2.gz XFBMDZDCZQUVHQ-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN O=C(Nc1nnc(-c2ccncc2)s1)C1=S=c2ccsc2=C1 ZINC001253161930 1317784942 /nfs/dbraw/zinc/78/49/42/1317784942.db2.gz BRWMNHKRGNYTKK-UHFFFAOYSA-N 0 0 344.446 2.251 10 10 EECERN COC(=O)c1cc(C(=O)NCc2c(O)cccc2F)cc([N+](=O)[O-])c1 ZINC001156164263 1317903637 /nfs/dbraw/zinc/90/36/37/1317903637.db2.gz UIEXBORKZHTPMT-UHFFFAOYSA-N 0 0 348.286 2.156 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2[nH]c(CO)nc21 ZINC001157102039 1318402953 /nfs/dbraw/zinc/40/29/53/1318402953.db2.gz IBGJHVQVCQRBMH-UHFFFAOYSA-N 0 0 346.383 2.177 10 10 EECERN CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001160609963 1320211516 /nfs/dbraw/zinc/21/15/16/1320211516.db2.gz OHULYTJDEVIZIF-UHFFFAOYSA-N 0 0 343.427 2.016 10 10 EECERN C[C@@H](NC(=O)C(=O)N1CC(CC2CC2)C1)c1ccc(N(C)C)cc1 ZINC001261766860 1322174091 /nfs/dbraw/zinc/17/40/91/1322174091.db2.gz QRRDDOHWJLWDIR-CYBMUJFWSA-N 0 0 329.444 2.188 10 10 EECERN CN1CCCc2cc(CNC(=O)C(=O)NCCC3CC=CC3)ccc21 ZINC001262250893 1322263690 /nfs/dbraw/zinc/26/36/90/1322263690.db2.gz HNJHQYBBDFDXBK-UHFFFAOYSA-N 0 0 341.455 2.158 10 10 EECERN CCn1cccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001263864478 1322541894 /nfs/dbraw/zinc/54/18/94/1322541894.db2.gz HZOFQIUXVUBQRP-UHFFFAOYSA-N 0 0 327.428 2.399 10 10 EECERN CC1(C(=O)NC/C=C/CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001285568275 1327054917 /nfs/dbraw/zinc/05/49/17/1327054917.db2.gz PWSTWYKTCRVUCI-NLMZBHJTSA-N 0 0 343.387 2.051 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@]2(O)CCc3ccccc32)cc1 ZINC001295395323 1329808132 /nfs/dbraw/zinc/80/81/32/1329808132.db2.gz VGULGZMKYRTTCE-SFHVURJKSA-N 0 0 338.367 2.413 10 10 EECERN C[C@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2n1)c1ccc(N(C)C)cc1 ZINC001296649165 1329906724 /nfs/dbraw/zinc/90/67/24/1329906724.db2.gz QMKLLMNGWGNGOA-JTQLQIEISA-N 0 0 325.372 2.221 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cnn(CCC(F)(F)F)c1 ZINC001303225679 1331350306 /nfs/dbraw/zinc/35/03/06/1331350306.db2.gz MUUAEIYXQBAHSU-UHFFFAOYSA-N 0 0 329.278 2.177 10 10 EECERN CCOC(=O)[C@@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001303781426 1331365444 /nfs/dbraw/zinc/36/54/44/1331365444.db2.gz DZFOKXYTKGGZMM-IBGZPJMESA-N 0 0 343.379 2.235 10 10 EECERN O=C(CC(=O)NCC(F)(F)F)NCc1c(O)ccc2ccccc21 ZINC001304089800 1331376863 /nfs/dbraw/zinc/37/68/63/1331376863.db2.gz MCNKVIPGEFMTSP-UHFFFAOYSA-N 0 0 340.301 2.230 10 10 EECERN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(O)c2O)C2(CC2)C1 ZINC001305570035 1331430971 /nfs/dbraw/zinc/43/09/71/1331430971.db2.gz JKSHNGDSVMLQLN-CYBMUJFWSA-N 0 0 348.399 2.227 10 10 EECERN CC(=O)C(=O)COC(=O)Cc1c(Cl)cccc1Br ZINC001327534809 1334311145 /nfs/dbraw/zinc/31/11/45/1334311145.db2.gz SUUKIUJGGDTDOT-UHFFFAOYSA-N 0 0 333.565 2.346 10 10 EECERN C[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cscn1 ZINC001328420675 1334456636 /nfs/dbraw/zinc/45/66/36/1334456636.db2.gz ORWYDGZUMNUJTN-VXGBXAGGSA-N 0 0 346.456 2.264 10 10 EECERN CO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@](C)(CO)C1 ZINC001330019146 1334762164 /nfs/dbraw/zinc/76/21/64/1334762164.db2.gz RMVIDMWCCWCPPB-KXBFYZLASA-N 0 0 343.427 2.101 10 10 EECERN CN1CCCc2cc(CNC(=O)N3CC[C@H]4COC[C@H]4C3)ccc21 ZINC001330045138 1334767804 /nfs/dbraw/zinc/76/78/04/1334767804.db2.gz INBBUHOLEGRAAY-DLBZAZTESA-N 0 0 329.444 2.247 10 10 EECERN C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C1CCC(F)CC1 ZINC001330824002 1334909829 /nfs/dbraw/zinc/90/98/29/1334909829.db2.gz OFBKVYDWNKKLRQ-IUDNXUCKSA-N 0 0 349.450 2.402 10 10 EECERN C[C@H](NC(=O)C(=O)NCC[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC001331076648 1334959041 /nfs/dbraw/zinc/95/90/41/1334959041.db2.gz FYHSDVANHYZRJY-WCQYABFASA-N 0 0 339.386 2.091 10 10 EECERN CC1(C)C[C@@]1(C)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001332851883 1335919204 /nfs/dbraw/zinc/91/92/04/1335919204.db2.gz BXCOYPDFIOJMBX-FQEVSTJZSA-N 0 0 341.455 2.231 10 10 EECERN C[C@H]1CNc2c(C(=O)NCCCSc3nccs3)cnn2C1 ZINC001347650512 1337517500 /nfs/dbraw/zinc/51/75/00/1337517500.db2.gz USWNVENCSPBJSX-JTQLQIEISA-N 0 0 337.474 2.313 10 10 EECERN COC(=O)[C@H]1CN(C(=O)/C(C)=C\c2cccnc2)c2ccccc2O1 ZINC001352206616 1337904726 /nfs/dbraw/zinc/90/47/26/1337904726.db2.gz JAMMYYKVRZETMZ-OJNOIJSXSA-N 0 0 338.363 2.452 10 10 EECERN CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000848557506 1338721104 /nfs/dbraw/zinc/72/11/04/1338721104.db2.gz FJVZTTOOPCHYGL-ISVAXAHUSA-N 0 0 336.201 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](N3C(=O)NC4(CCCC4)C3=O)C2)cc1 ZINC000849358503 1339154305 /nfs/dbraw/zinc/15/43/05/1339154305.db2.gz WYALIQDVAVQMRW-CQSZACIVSA-N 0 0 329.400 2.139 10 10 EECERN CC[C@H]1C(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C(=O)N1C1CC1 ZINC000849358457 1339154349 /nfs/dbraw/zinc/15/43/49/1339154349.db2.gz WGROJDIIDDBCQH-WBVHZDCISA-N 0 0 343.427 2.479 10 10 EECERN Cc1nnc(Nc2ccn(C)n2)n1Cc1ccc2c(c1)CCCN2C ZINC001612617380 1352310370 /nfs/dbraw/zinc/31/03/70/1352310370.db2.gz PEXPGAJQJXUFSY-UHFFFAOYSA-N 0 0 337.431 2.494 10 10 EECERN CO[C@]1(C(F)(F)F)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001616456715 1352328940 /nfs/dbraw/zinc/32/89/40/1352328940.db2.gz FONMUJZBKLNOJZ-CQSZACIVSA-N 0 0 333.306 2.210 10 10 EECERN Cn1cnc(/C=C\C(=O)N2CCOc3ncc(Br)cc32)c1 ZINC001435847073 1342001831 /nfs/dbraw/zinc/00/18/31/1342001831.db2.gz YZLDLUFWUDDRCX-IHWYPQMZSA-N 0 0 349.188 2.016 10 10 EECERN Cc1ccc(C(=O)NCCc2cnc3c(Cl)cnn3c2)c(O)c1O ZINC001569807781 1342948636 /nfs/dbraw/zinc/94/86/36/1342948636.db2.gz JGQNILJXZNKQJV-UHFFFAOYSA-N 0 0 346.774 2.075 10 10 EECERN C/C=C(\C)C(=O)N(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001572247639 1343444458 /nfs/dbraw/zinc/44/44/58/1343444458.db2.gz PTLJZSFUFNZBFS-LAPUGDAXSA-N 0 0 345.403 2.392 10 10 EECERN C[C@H](CCNC(=O)C1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001580275027 1344504819 /nfs/dbraw/zinc/50/48/19/1344504819.db2.gz FEWKJUDYBBNDDL-LLVKDONJSA-N 0 0 345.403 2.274 10 10 EECERN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1ccc(O)c(O)c1 ZINC001595752475 1349893898 /nfs/dbraw/zinc/89/38/98/1349893898.db2.gz QAHPNNDNGVLERU-UHFFFAOYSA-N 0 0 334.303 2.426 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2F)cc1 ZINC001596182573 1349902760 /nfs/dbraw/zinc/90/27/60/1349902760.db2.gz YYPSXIQYWXOUTC-UHFFFAOYSA-N 0 0 329.291 2.339 10 10 EECERN O=C(CSCC(=O)c1ccccc1)NCc1c(O)cccc1O ZINC001597569870 1349928317 /nfs/dbraw/zinc/92/83/17/1349928317.db2.gz VJVQPVAIUXWMPB-UHFFFAOYSA-N 0 0 331.393 2.330 10 10 EECERN CN(Cc1ccccc1O)C(=O)c1ccc(S(C)(=O)=O)s1 ZINC001622317603 1352381402 /nfs/dbraw/zinc/38/14/02/1352381402.db2.gz QSEAYHJXGDCLCX-UHFFFAOYSA-N 0 0 325.411 2.129 10 10 EECERN CN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1ccc(O)c(O)c1 ZINC001623924608 1352409067 /nfs/dbraw/zinc/40/90/67/1352409067.db2.gz VLSKKJALXJXYRG-UHFFFAOYSA-N 0 0 348.786 2.391 10 10 EECERN CN(CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(=O)C1CC1 ZINC001624625882 1352426210 /nfs/dbraw/zinc/42/62/10/1352426210.db2.gz GYLXKRJDYURRBD-UHFFFAOYSA-N 0 0 329.444 2.114 10 10 EECERN Cc1cc(CC(=O)NCc2cccc(Br)c2O)on1 ZINC001626821926 1352474102 /nfs/dbraw/zinc/47/41/02/1352474102.db2.gz HAGASIOJNKVMEV-UHFFFAOYSA-N 0 0 325.162 2.310 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(C)CC2)CCCC1 ZINC001628448335 1352534298 /nfs/dbraw/zinc/53/42/98/1352534298.db2.gz UGDIKXXMYWPGBU-UHFFFAOYSA-N 0 0 341.455 2.303 10 10 EECERN Nc1nnc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC001629943998 1352560950 /nfs/dbraw/zinc/56/09/50/1352560950.db2.gz YNGKELVWLPFFML-UHFFFAOYSA-N 0 0 344.396 2.190 10 10 EECERN CCC(CC)C(=O)N1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001630590950 1352571480 /nfs/dbraw/zinc/57/14/80/1352571480.db2.gz KVKWMSMFDMMPGS-UHFFFAOYSA-N 0 0 348.443 2.184 10 10 EECERN CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001633426114 1352610104 /nfs/dbraw/zinc/61/01/04/1352610104.db2.gz LEQODJGFDJVUIE-UHFFFAOYSA-N 0 0 347.375 2.198 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](OC)C(F)(F)F ZINC001636058590 1352657119 /nfs/dbraw/zinc/65/71/19/1352657119.db2.gz JANIVCXUJJRGCC-LLVKDONJSA-N 0 0 326.311 2.462 10 10 EECERN COC(=O)c1cnc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC001643210991 1352743258 /nfs/dbraw/zinc/74/32/58/1352743258.db2.gz ZQKHNIANHBYXKV-RNEXMXFGSA-N 0 0 348.380 2.232 10 10 EECERN COC(=O)c1cncnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001650086107 1353715983 /nfs/dbraw/zinc/71/59/83/1353715983.db2.gz KAUUUPHKKQMKNU-UHFFFAOYSA-N 0 0 326.400 2.500 10 10 EECERN CCN(Cc1cc(Br)ccc1O)[C@H]1CON(CC)C1=O ZINC001652595693 1354096859 /nfs/dbraw/zinc/09/68/59/1354096859.db2.gz LPSRHTKVYNREJC-LBPRGKRZSA-N 0 0 343.221 2.139 10 10 EECERN CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001652629058 1354097887 /nfs/dbraw/zinc/09/78/87/1354097887.db2.gz UVLACJQOGPZZEO-MRXNPFEDSA-N 0 0 341.363 2.447 10 10 EECERN CCc1cccc(NC(=O)CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC001654259195 1354145149 /nfs/dbraw/zinc/14/51/49/1354145149.db2.gz MOPRTTIEPGOVKD-UHFFFAOYSA-N 0 0 332.331 2.168 10 10 EECERN FC(F)(F)[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000930121751 770616882 /nfs/dbraw/zinc/61/68/82/770616882.db2.gz WFKAXLSURRMBPF-HNNXBMFYSA-N 0 0 330.350 2.286 10 10 EECERN COC(=O)CC1(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000846695001 790422839 /nfs/dbraw/zinc/42/28/39/790422839.db2.gz HUNNTGXLDWNSDQ-UHFFFAOYSA-N 0 0 345.424 2.142 10 10 EECERN COC(=O)c1nc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cs1 ZINC000907060166 784359317 /nfs/dbraw/zinc/35/93/17/784359317.db2.gz LSDJZHWFHXSGMO-MRVPVSSYSA-N 0 0 336.369 2.135 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)Nc3nncs3)C2)cc1 ZINC000818092553 785180163 /nfs/dbraw/zinc/18/01/63/785180163.db2.gz SVPPIJKWIPEMNL-NSHDSACASA-N 0 0 333.417 2.195 10 10 EECERN CO[C@]12CCC[C@@]1(C(=O)N1CCOc3cc(N(C)C)ccc31)CCO2 ZINC000820418209 785923757 /nfs/dbraw/zinc/92/37/57/785923757.db2.gz PEMNSBWNWQSYCO-OALUTQOASA-N 0 0 346.427 2.411 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3cnc(C)nc3)C2)cc1 ZINC000820872339 786506048 /nfs/dbraw/zinc/50/60/48/786506048.db2.gz BGJNDXGHIPOHAE-CYBMUJFWSA-N 0 0 327.388 2.194 10 10 EECERN CN(C)S(=O)(=O)c1ccc(CN(C)Cc2ccccc2O)s1 ZINC000822739473 787361167 /nfs/dbraw/zinc/36/11/67/787361167.db2.gz DURLUBDIGXAKOS-UHFFFAOYSA-N 0 0 340.470 2.336 10 10 EECERN Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)nn2c1OCCC2 ZINC000822868181 787446173 /nfs/dbraw/zinc/44/61/73/787446173.db2.gz VKWJROCRTGGTQL-UHFFFAOYSA-N 0 0 340.427 2.286 10 10 EECERN C[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000823292918 787681694 /nfs/dbraw/zinc/68/16/94/787681694.db2.gz UPSVUJJUGABPNK-CRAIPNDOSA-N 0 0 332.444 2.345 10 10 EECERN CCOC[C@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823486425 787775409 /nfs/dbraw/zinc/77/54/09/787775409.db2.gz CLGJJJVTHYBZLU-GJZGRUSLSA-N 0 0 335.448 2.246 10 10 EECERN O=C(N[C@H]1CCNC1=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000824305596 788118600 /nfs/dbraw/zinc/11/86/00/788118600.db2.gz KABHJDJFVKULFO-HNNXBMFYSA-N 0 0 331.416 2.125 10 10 EECERN Cc1cnc(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)o1 ZINC000825393907 788610651 /nfs/dbraw/zinc/61/06/51/788610651.db2.gz MVJVILIWLBSZNE-UHFFFAOYSA-N 0 0 343.427 2.459 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccccc1CNC(=O)OC(C)(C)C ZINC000923148605 788980310 /nfs/dbraw/zinc/98/03/10/788980310.db2.gz SMZKRCZBFIPUMJ-UHFFFAOYSA-N 0 0 335.356 2.026 10 10 EECERN COc1ccc(N(C)CCN(C)CN2C[C@@H]3CCC[C@@H]3C2=O)cc1 ZINC000844725510 789328952 /nfs/dbraw/zinc/32/89/52/789328952.db2.gz LCJAJMSGLGMELV-YJBOKZPZSA-N 0 0 331.460 2.279 10 10 EECERN CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000844912225 789484473 /nfs/dbraw/zinc/48/44/73/789484473.db2.gz FHLKIRSCDLPVTC-GOSISDBHSA-N 0 0 347.459 2.234 10 10 EECERN CC(C)O[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000845638834 789898243 /nfs/dbraw/zinc/89/82/43/789898243.db2.gz PBXOZUQUVKHRAD-NSHDSACASA-N 0 0 335.360 2.320 10 10 EECERN COC[C@H]1CCN(C(=O)N(C)CCN(C)c2ccc(OC)cc2)C1 ZINC000845988084 790013253 /nfs/dbraw/zinc/01/32/53/790013253.db2.gz TZIIKZGZURZIDR-HNNXBMFYSA-N 0 0 335.448 2.152 10 10 EECERN NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001148396953 792384256 /nfs/dbraw/zinc/38/42/56/792384256.db2.gz DYOUKKMDTWXPFP-VHSXEESVSA-N 0 0 334.397 2.086 10 10 EECERN CN(Cc1ccccc1O)S(=O)(=O)Cc1noc2c1CCCC2 ZINC000914145239 794992687 /nfs/dbraw/zinc/99/26/87/794992687.db2.gz QNPGTUQIQYBVKD-UHFFFAOYSA-N 0 0 336.413 2.221 10 10 EECERN COCC[C@@H](COC)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715818160 795537988 /nfs/dbraw/zinc/53/79/88/795537988.db2.gz MOOZDVZBIUPALY-NSHDSACASA-N 0 0 336.201 2.435 10 10 EECERN Cc1cc(=O)[nH]cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000154120697 797743954 /nfs/dbraw/zinc/74/39/54/797743954.db2.gz KUBNSGWVQXMYCD-HNNXBMFYSA-N 0 0 342.395 2.210 10 10 EECERN CC(=O)N/C(=C/c1cccs1)C(=O)N1Cc2cccc(O)c2C1 ZINC001175037069 797972573 /nfs/dbraw/zinc/97/25/73/797972573.db2.gz BNUXLBVJTLSBID-OVCLIPMQSA-N 0 0 328.393 2.473 10 10 EECERN C=C/C=C/CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001178039129 799258735 /nfs/dbraw/zinc/25/87/35/799258735.db2.gz NUYYTPSHJTYNNU-ONEGZZNKSA-N 0 0 327.428 2.137 10 10 EECERN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc([S@](C)=O)cc1 ZINC001183135226 801491395 /nfs/dbraw/zinc/49/13/95/801491395.db2.gz JAURFLAWGPJFIH-WBNWAKSLSA-N 0 0 337.372 2.465 10 10 EECERN C[C@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000792041626 809573758 /nfs/dbraw/zinc/57/37/58/809573758.db2.gz YTFRGWDHQOBLBU-STQMWFEESA-N 0 0 335.423 2.479 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cnn(C)n1 ZINC000807565936 812279645 /nfs/dbraw/zinc/27/96/45/812279645.db2.gz KNPVFQJWCBEIGV-UHFFFAOYSA-N 0 0 342.447 2.147 10 10 EECERN CC(=O)C(=O)COC(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 ZINC000808503796 812675973 /nfs/dbraw/zinc/67/59/73/812675973.db2.gz VBYKDYZBSWHXIT-UHFFFAOYSA-N 0 0 337.335 2.044 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(C)c1NC(=O)c1ccoc1C ZINC000808507804 812679462 /nfs/dbraw/zinc/67/94/62/812679462.db2.gz WUXGWDDFYRVYQP-UHFFFAOYSA-N 0 0 343.335 2.464 10 10 EECERN COc1ccc(C(=O)CC(C)(C)CC(=O)OCC(=O)C(C)=O)cc1 ZINC000808536847 812709171 /nfs/dbraw/zinc/70/91/71/812709171.db2.gz PBGIPTORYANJGD-UHFFFAOYSA-N 0 0 334.368 2.386 10 10 EECERN CCn1cc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)nn1 ZINC001457407732 1109590701 /nfs/dbraw/zinc/59/07/01/1109590701.db2.gz LZWINWUQEQFSPD-UHFFFAOYSA-N 0 0 347.382 2.189 10 10 EECERN COc1nsc(OC)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001464517847 1110396277 /nfs/dbraw/zinc/39/62/77/1110396277.db2.gz GCXQUFTWZQWFDQ-UHFFFAOYSA-N 0 0 347.440 2.473 10 10 EECERN COC(=O)c1cc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC001466790299 1110443818 /nfs/dbraw/zinc/44/38/18/1110443818.db2.gz FLLOVFZUHWVKHR-SNVBAGLBSA-N 0 0 333.340 2.147 10 10 EECERN Cn1nc(C(=O)NCc2ccc3cccnc3c2O)cc1OC(F)F ZINC001469251546 1110487976 /nfs/dbraw/zinc/48/79/76/1110487976.db2.gz YBKNOMHUGXCDDW-UHFFFAOYSA-N 0 0 348.309 2.205 10 10 EECERN Cc1cc(CCNC(=O)NC[C@@H]2COCO2)c(C)n1-c1ccccc1 ZINC001470968860 1110515341 /nfs/dbraw/zinc/51/53/41/1110515341.db2.gz KVFGLJQLKUYGKW-GOSISDBHSA-N 0 0 343.427 2.309 10 10 EECERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cc(O)ccc1O ZINC001471660813 1110527624 /nfs/dbraw/zinc/52/76/24/1110527624.db2.gz AIMGNZIGRJSVFN-UHFFFAOYSA-N 0 0 331.328 2.124 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001521308557 1119237263 /nfs/dbraw/zinc/23/72/63/1119237263.db2.gz NVUKGNQIADNLNQ-OMWUSAIZSA-N 0 0 349.427 2.263 10 10 EECERN O=C(CCOCC(F)(F)C(F)F)NCc1cccc(O)c1O ZINC001528771088 1121163277 /nfs/dbraw/zinc/16/32/77/1121163277.db2.gz JMEIGSSYAKFWLI-UHFFFAOYSA-N 0 0 325.258 2.021 10 10 EECERN C/C=C(\C)C(=O)NCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001528802681 1121178420 /nfs/dbraw/zinc/17/84/20/1121178420.db2.gz KEQAKDSFUSYLNM-XIBZFINVSA-N 0 0 345.403 2.394 10 10 EECERN CN(C)c1ccc(CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C2CC2)cc1 ZINC001532945478 1123004879 /nfs/dbraw/zinc/00/48/79/1123004879.db2.gz CKMZSVKDLVRAND-CABCVRRESA-N 0 0 329.444 2.145 10 10 EECERN COc1cc(C=C2SC(N)=NC2=O)cc(OC)c1OC(F)F ZINC000096766847 218889946 /nfs/dbraw/zinc/88/99/46/218889946.db2.gz BJFFRAKXKVERPW-WEVVVXLNSA-N 0 0 330.312 2.234 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NC[C@H](O)C(C)C)cc1F ZINC000154890554 462820715 /nfs/dbraw/zinc/82/07/15/462820715.db2.gz RQOMXRWREYUQHW-INIZCTEOSA-N 0 0 325.428 2.488 10 10 EECERN O=C(NC1CCC(O)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000042962254 463609322 /nfs/dbraw/zinc/60/93/22/463609322.db2.gz NQBFLLPCSPJIFD-OFLPRAFFSA-N 0 0 348.443 2.386 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000171283458 463836158 /nfs/dbraw/zinc/83/61/58/463836158.db2.gz QJONQDMYMONEOY-UHFFFAOYSA-N 0 0 340.379 2.314 10 10 EECERN COc1cccc(CNC(=O)N[C@@H]2COc3ccc(F)cc3C2)c1O ZINC000290929723 464137755 /nfs/dbraw/zinc/13/77/55/464137755.db2.gz IWUBAZNVDYRSBX-AWEZNQCLSA-N 0 0 346.358 2.343 10 10 EECERN CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1CC(F)F ZINC000181294966 464468655 /nfs/dbraw/zinc/46/86/55/464468655.db2.gz MNQUMNHYZBSGBA-DIECRNLCSA-N 0 0 340.370 2.299 10 10 EECERN CC[C@H](O)CN1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177194581 464955031 /nfs/dbraw/zinc/95/50/31/464955031.db2.gz LCFWUAGXLJULAI-HNNXBMFYSA-N 0 0 340.851 2.137 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000367888218 466551579 /nfs/dbraw/zinc/55/15/79/466551579.db2.gz XGJPVDDQGWZVNJ-SUQGKYDKSA-N 0 0 341.363 2.417 10 10 EECERN COc1cc(CC2CN(C(=O)c3cccc(O)c3O)C2)cc(OC)c1 ZINC000365878003 466974261 /nfs/dbraw/zinc/97/42/61/466974261.db2.gz PCOPRMMMGFJZEA-UHFFFAOYSA-N 0 0 343.379 2.430 10 10 EECERN COC(=O)COc1ccc(N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1 ZINC000298515100 523222648 /nfs/dbraw/zinc/22/26/48/523222648.db2.gz UIFCYNROMFOHTE-ROUUACIJSA-N 0 0 349.427 2.403 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@H]3CSC(=O)N3)cc2)CC1 ZINC000081366290 528266103 /nfs/dbraw/zinc/26/61/03/528266103.db2.gz OOZQJJSHRSXCHA-OAHLLOKOSA-N 0 0 333.457 2.364 10 10 EECERN Cc1cnc(N)c(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773085953 577314975 /nfs/dbraw/zinc/31/49/75/577314975.db2.gz APOBGSKCJYFTFE-GFCCVEGCSA-N 0 0 334.445 2.078 10 10 EECERN C[C@H](NC(=O)N1CCO[C@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000773620830 577354966 /nfs/dbraw/zinc/35/49/66/577354966.db2.gz XDOLBCKFXPXCMN-KBXCAEBGSA-N 0 0 333.432 2.015 10 10 EECERN COC(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1F ZINC000773740841 577362329 /nfs/dbraw/zinc/36/23/29/577362329.db2.gz UDASTJXNMVMZPB-JTQLQIEISA-N 0 0 347.342 2.385 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCC12OCCO2 ZINC000773784062 577364669 /nfs/dbraw/zinc/36/46/69/577364669.db2.gz CYUMLLFDKMAEME-QGZVFWFLSA-N 0 0 330.428 2.446 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)O[C@H]3CC(=O)N(C)C3)ccc21 ZINC000764733038 577487623 /nfs/dbraw/zinc/48/76/23/577487623.db2.gz RHFBSEDHSNTPCE-HNNXBMFYSA-N 0 0 344.411 2.292 10 10 EECERN COC(=O)c1ccc(C(=O)NCc2cc(OC)ccc2O)cc1F ZINC000769099892 577569664 /nfs/dbraw/zinc/56/96/64/577569664.db2.gz ONDYOKKQASFPTN-UHFFFAOYSA-N 0 0 333.315 2.257 10 10 EECERN CC(C)N1C(=O)CN(Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000769459308 577578254 /nfs/dbraw/zinc/57/82/54/577578254.db2.gz BWVMWYLESVPIPT-UHFFFAOYSA-N 0 0 345.487 2.354 10 10 EECERN COc1cccc(O)c1CN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000770350407 577594412 /nfs/dbraw/zinc/59/44/12/577594412.db2.gz GVSHUMUCKIEACB-CZUORRHYSA-N 0 0 333.384 2.318 10 10 EECERN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000758168572 577617364 /nfs/dbraw/zinc/61/73/64/577617364.db2.gz CPUFFWWLVVNPSJ-UHFFFAOYSA-N 0 0 339.344 2.427 10 10 EECERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751307540 577750498 /nfs/dbraw/zinc/75/04/98/577750498.db2.gz JKEMKJGYHPXZMB-NWDGAFQWSA-N 0 0 336.351 2.144 10 10 EECERN C[C@H](NC(=O)/C=C/c1ccncn1)c1ccc(N2CCOCC2)cc1 ZINC000754167502 577801569 /nfs/dbraw/zinc/80/15/69/577801569.db2.gz GBNXERLTQZLCJE-SZTZYQKNSA-N 0 0 338.411 2.204 10 10 EECERN Cc1cc(C(=O)CN2CCN(C)C(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000740880854 578108733 /nfs/dbraw/zinc/10/87/33/578108733.db2.gz ARCYQSFFEBTDDZ-UHFFFAOYSA-N 0 0 343.402 2.190 10 10 EECERN CC(C)(C(=O)NCc1cc(Br)ccc1O)c1c[nH]cn1 ZINC000804735670 675610072 /nfs/dbraw/zinc/61/00/72/675610072.db2.gz CRQFTHDNXAAKGW-UHFFFAOYSA-N 0 0 338.205 2.472 10 10 EECERN Cn1nccc1CCC(=O)NCc1cc(Br)ccc1O ZINC000804739225 675611923 /nfs/dbraw/zinc/61/19/23/675611923.db2.gz BNZGPKJINXLWNI-UHFFFAOYSA-N 0 0 338.205 2.137 10 10 EECERN CON1CCC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000866898802 681402322 /nfs/dbraw/zinc/40/23/22/681402322.db2.gz YOCOMMFCKJIQQY-QGZVFWFLSA-N 0 0 348.443 2.173 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CC(CC(N)=O)C1 ZINC000925072477 682898123 /nfs/dbraw/zinc/89/81/23/682898123.db2.gz XVBZXCHLZNTFQY-UHFFFAOYSA-N 0 0 346.475 2.327 10 10 EECERN CC(C)(C)c1cc(CN2C[C@H](O)C[C@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000895368568 684552144 /nfs/dbraw/zinc/55/21/44/684552144.db2.gz SQAWLYOGJLQKDQ-ZBFHGGJFSA-N 0 0 348.487 2.408 10 10 EECERN COCCOC[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896675741 685176526 /nfs/dbraw/zinc/17/65/26/685176526.db2.gz STUXFGDHCAAVJX-VIFPVBQESA-N 0 0 325.386 2.094 10 10 EECERN Cn1cc(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)nn1 ZINC001126863395 1188529866 /nfs/dbraw/zinc/52/98/66/1188529866.db2.gz FHANPKLXXFOINF-UHFFFAOYSA-N 0 0 347.382 2.096 10 10 EECERN C=CC(=O)Nc1ccc(C(=O)NCc2ccc(OC)cc2O)cc1 ZINC001626079948 1194327548 /nfs/dbraw/zinc/32/75/48/1194327548.db2.gz QMECSCDZYRWPBW-UHFFFAOYSA-N 0 0 326.352 2.455 10 10 EECERN C[C@@H](NC(=O)[C@@H](C)c1cncnc1)c1ccc(N2CCOCC2)cc1 ZINC000863860574 1197904556 /nfs/dbraw/zinc/90/45/56/1197904556.db2.gz MQKTYVRTVBEVSS-LSDHHAIUSA-N 0 0 340.427 2.294 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)OC)O1 ZINC000865027669 1198052057 /nfs/dbraw/zinc/05/20/57/1198052057.db2.gz ZOGXOIXCZSMDGB-JQFCIGGWSA-N 0 0 348.443 2.068 10 10 EECERN O[C@@H](CNc1ccccc1OCC(F)F)CC1(O)CCOCC1 ZINC000872212737 1198088790 /nfs/dbraw/zinc/08/87/90/1198088790.db2.gz ZNEPEJVOQGYYKL-GFCCVEGCSA-N 0 0 331.359 2.035 10 10 EECERN CCCn1cc(/C=C2\c3ccccc3N(CC(=O)OCC)C2=O)nn1 ZINC000865221544 1198129376 /nfs/dbraw/zinc/12/93/76/1198129376.db2.gz HBBJFWTWSBVCCG-XNTDXEJSSA-N 0 0 340.383 2.138 10 10 EECERN CO[C@@H]1CN2C(=O)N(Cc3ccc(N(C)C)cc3C)C(=O)[C@]2(C)C1 ZINC000865302969 1198160073 /nfs/dbraw/zinc/16/00/73/1198160073.db2.gz AYRJJOAZZKNDCK-YJBOKZPZSA-N 0 0 331.416 2.003 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nnc(C2CC2)o1 ZINC000865895538 1198417794 /nfs/dbraw/zinc/41/77/94/1198417794.db2.gz XDTDLQMYJNZPOG-UHFFFAOYSA-N 0 0 342.399 2.056 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000875717212 1199359406 /nfs/dbraw/zinc/35/94/06/1199359406.db2.gz YAWTYWDXCYHSSX-BMGDILEWSA-N 0 0 347.459 2.219 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)cc1 ZINC000814254966 1199400574 /nfs/dbraw/zinc/40/05/74/1199400574.db2.gz PWUPSUCAXPFRJL-HNNXBMFYSA-N 0 0 339.443 2.100 10 10 EECERN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202912 1201098137 /nfs/dbraw/zinc/09/81/37/1201098137.db2.gz OXXUCERPRHQKAB-DYVFJYSZSA-N 0 0 345.443 2.455 10 10 EECERN CCC[C@@H](CCCS(C)(=O)=O)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205277 1201099157 /nfs/dbraw/zinc/09/91/57/1201099157.db2.gz YFZDILMIXMFWPL-ZDUSSCGKSA-N 0 0 339.457 2.476 10 10 EECERN Cc1cc(C(F)(F)F)nn1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204187 1201099225 /nfs/dbraw/zinc/09/92/25/1201099225.db2.gz AMYKSOMXOITHKO-UHFFFAOYSA-N 0 0 325.290 2.458 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1(OC)CCC1 ZINC000866441978 1201518909 /nfs/dbraw/zinc/51/89/09/1201518909.db2.gz BGUGWONPRHFTOB-UHFFFAOYSA-N 0 0 340.489 2.473 10 10 EECERN COC1(CS(=O)(=O)NCc2ccc(N(C)C)cc2C)CCC1 ZINC000866797322 1201608198 /nfs/dbraw/zinc/60/81/98/1201608198.db2.gz RSIZJKHKZAPNBV-UHFFFAOYSA-N 0 0 326.462 2.050 10 10 EECERN CC(=O)N1CCN(c2ccc(CNc3ncnc(C)c3C)cc2)CC1 ZINC000882239968 1201838396 /nfs/dbraw/zinc/83/83/96/1201838396.db2.gz PHHVAUISDLYHMM-UHFFFAOYSA-N 0 0 339.443 2.374 10 10 EECERN COCc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)ncn1 ZINC000129643075 1201869689 /nfs/dbraw/zinc/86/96/89/1201869689.db2.gz GDKYFHCEHLCVBC-UHFFFAOYSA-N 0 0 333.367 2.150 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1 ZINC000868897103 1201901048 /nfs/dbraw/zinc/90/10/48/1201901048.db2.gz NGGPDMAJZYNPLM-RVKKMQEKSA-N 0 0 347.459 2.483 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCc2nc(CN(C)C)cs2)c1 ZINC000924787403 1206031994 /nfs/dbraw/zinc/03/19/94/1206031994.db2.gz WYFTZYFMJJNCGG-UHFFFAOYSA-N 0 0 334.445 2.218 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1C[C@H]1C(F)(F)F ZINC000925240030 1206086171 /nfs/dbraw/zinc/08/61/71/1206086171.db2.gz ZYRPOLODUAAMMM-WDEREUQCSA-N 0 0 328.290 2.355 10 10 EECERN CS(=O)(=O)N1CC(C[N@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000929634826 1206492059 /nfs/dbraw/zinc/49/20/59/1206492059.db2.gz IITQVHGJEJCUDR-UHFFFAOYSA-N 0 0 338.473 2.028 10 10 EECERN COc1ccc(N2CCN(C(=O)c3ncc(C)cc3O)CC2)cc1 ZINC000778289239 1208071963 /nfs/dbraw/zinc/07/19/63/1208071963.db2.gz IMGYMNOCCPJNTB-UHFFFAOYSA-N 0 0 327.384 2.067 10 10 EECERN CN1C[C@H](CC[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1=O ZINC000723533117 1230590739 /nfs/dbraw/zinc/59/07/39/1230590739.db2.gz VZYAZZUFRDDNFI-SECBINFHSA-N 0 0 345.212 2.252 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@H]2C(F)F)c1 ZINC000800614764 1234361448 /nfs/dbraw/zinc/36/14/48/1234361448.db2.gz PLBWUDQTCKFWGX-NSHDSACASA-N 0 0 348.371 2.024 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C\c1cccc2c1CCOC2 ZINC000901444052 1235809242 /nfs/dbraw/zinc/80/92/42/1235809242.db2.gz SZXQRZJVBAUYOJ-GDNBJRDFSA-N 0 0 330.409 2.062 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Nc3nnc(C)s3)C2)cc1 ZINC000853818618 1292470114 /nfs/dbraw/zinc/47/01/14/1292470114.db2.gz XKJQEXNRXJWJOM-LLVKDONJSA-N 0 0 333.417 2.256 10 10 EECERN CC(=O)C(=O)COC(=O)C1=Cc2ccccc2O[C@@H]1C(F)(F)F ZINC000853928742 1292533960 /nfs/dbraw/zinc/53/39/60/1292533960.db2.gz MKDFLWFTGGVRNK-ZDUSSCGKSA-N 0 0 328.242 2.095 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](OC)C1CCCC1 ZINC000854987703 1293022681 /nfs/dbraw/zinc/02/26/81/1293022681.db2.gz JDXKVFMKXOZFDS-SFHVURJKSA-N 0 0 349.427 2.489 10 10 EECERN CCOC(CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OCC ZINC000855225042 1293117485 /nfs/dbraw/zinc/11/74/85/1293117485.db2.gz IAKKGXQUFQBCNC-CQSZACIVSA-N 0 0 336.432 2.179 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccn(C(F)F)n3)C2)cc1 ZINC000855225029 1293117818 /nfs/dbraw/zinc/11/78/18/1293117818.db2.gz HZEMZZITVVJTSC-LLVKDONJSA-N 0 0 336.342 2.296 10 10 EECERN COc1cc(CCC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)on1 ZINC000855226792 1293118415 /nfs/dbraw/zinc/11/84/15/1293118415.db2.gz UGYHCXITBOYTQL-CYBMUJFWSA-N 0 0 345.399 2.020 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cn(C(C)(C)C)nn3)C2)cc1 ZINC000855227228 1293119911 /nfs/dbraw/zinc/11/99/11/1293119911.db2.gz XCQYWGAGPFPPTQ-ZDUSSCGKSA-N 0 0 343.431 2.050 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(CO)cc3)C2)cc1 ZINC000855229146 1293121210 /nfs/dbraw/zinc/12/12/10/1293121210.db2.gz KHPNHUWORUPYFA-MRXNPFEDSA-N 0 0 326.396 2.196 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]2CCCC[C@H]12 ZINC000855641766 1293284302 /nfs/dbraw/zinc/28/43/02/1293284302.db2.gz BURKLJMKAXRITK-YRGRVCCFSA-N 0 0 333.384 2.292 10 10 EECERN COc1cccc(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000857062149 1293710451 /nfs/dbraw/zinc/71/04/51/1293710451.db2.gz YPTPEFROGJQRKX-OAHLLOKOSA-N 0 0 333.409 2.160 10 10 EECERN C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)cc(F)c1[O-] ZINC000858522682 1294142182 /nfs/dbraw/zinc/14/21/82/1294142182.db2.gz HMPLWHOZHRTRMV-ONGXEEELSA-N 0 0 347.228 2.275 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(=O)N1CCCO1 ZINC000862083633 1295684659 /nfs/dbraw/zinc/68/46/59/1295684659.db2.gz SWNLUMQTDZXSCO-UHFFFAOYSA-N 0 0 333.413 2.049 10 10 EECERN COC(=O)[C@@H]1CSCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862394225 1295825641 /nfs/dbraw/zinc/82/56/41/1295825641.db2.gz FGUHTAMTLYIKQT-LBPRGKRZSA-N 0 0 344.427 2.369 10 10 EECERN COc1c([O-])c(C[NH2+]C[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000862523134 1295867214 /nfs/dbraw/zinc/86/72/14/1295867214.db2.gz SABDOXBSXLUMCE-AWEZNQCLSA-N 0 0 335.404 2.416 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3C[C@H](C(N)=O)C3)c2C)cc1 ZINC000862819381 1295974685 /nfs/dbraw/zinc/97/46/85/1295974685.db2.gz PNTCNFIYAWUXCB-HDJSIYSDSA-N 0 0 341.411 2.096 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1COCCN1C ZINC000862973940 1296052722 /nfs/dbraw/zinc/05/27/22/1296052722.db2.gz XICFKZSVIVKBKY-AWEZNQCLSA-N 0 0 333.457 2.216 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000863362212 1296245224 /nfs/dbraw/zinc/24/52/24/1296245224.db2.gz XNKUFSYJXLWLCK-WOVMCDHWSA-N 0 0 325.412 2.430 10 10 EECERN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC2(CCOCC2)O1 ZINC000927179050 1297050974 /nfs/dbraw/zinc/05/09/74/1297050974.db2.gz ORKHGLQLMIWRDP-HNNXBMFYSA-N 0 0 334.416 2.262 10 10 EECERN CN(C)c1ccnc(NC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000797640686 1304795438 /nfs/dbraw/zinc/79/54/38/1304795438.db2.gz TWDHJHHOTWMXNC-UHFFFAOYSA-N 0 0 340.431 2.247 10 10 EECERN CN(CC(=O)NC(C)(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001119450122 1309076171 /nfs/dbraw/zinc/07/61/71/1309076171.db2.gz MNPSDOVGNSSGBK-UHFFFAOYSA-N 0 0 336.413 2.299 10 10 EECERN C[C@@H]1CCCN(C(=O)CCNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001123743579 1310687753 /nfs/dbraw/zinc/68/77/53/1310687753.db2.gz ZPMFRWNYRUAATG-CYBMUJFWSA-N 0 0 331.416 2.066 10 10 EECERN COCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001142197253 1315515465 /nfs/dbraw/zinc/51/54/65/1315515465.db2.gz BWAWBLKEKYEOOJ-UHFFFAOYSA-N 0 0 335.331 2.443 10 10 EECERN C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841985011 1315647127 /nfs/dbraw/zinc/64/71/27/1315647127.db2.gz GTOJLNVTCRKDFW-UFBFGSQYSA-N 0 0 332.231 2.496 10 10 EECERN COc1cccc([C@H](O)C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142727876 1315717906 /nfs/dbraw/zinc/71/79/06/1315717906.db2.gz HNTWTJYIAKANDJ-SFHVURJKSA-N 0 0 338.363 2.299 10 10 EECERN C[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1ccccc1O ZINC001151892082 1316604027 /nfs/dbraw/zinc/60/40/27/1316604027.db2.gz ICUAOTYLIRLOGV-ZDUSSCGKSA-N 0 0 335.363 2.429 10 10 EECERN C[C@@H](NC(=O)N1CC[C@@]12CCOC2)c1ccc(N2CCOCC2)cc1 ZINC001261392555 1322087790 /nfs/dbraw/zinc/08/77/90/1322087790.db2.gz IILCSAWXFQVRSP-BEFAXECRSA-N 0 0 345.443 2.159 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NCC2CCC=CCC2)cc1F ZINC001262232092 1322258880 /nfs/dbraw/zinc/25/88/80/1322258880.db2.gz UMVYQZYHSJQBEY-UHFFFAOYSA-N 0 0 347.434 2.371 10 10 EECERN Cc1nnc(N(C)C[C@H]2CCOC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001290730470 1328250357 /nfs/dbraw/zinc/25/03/57/1328250357.db2.gz UDVOFKNCHHXFIW-OAHLLOKOSA-N 0 0 347.438 2.313 10 10 EECERN O=Cc1cn(CC(=O)NCCc2ccc(O)c(O)c2)c2ccccc12 ZINC001294909043 1329762707 /nfs/dbraw/zinc/76/27/07/1329762707.db2.gz MTIWBCDDMHBHSD-UHFFFAOYSA-N 0 0 338.363 2.224 10 10 EECERN CN(C(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCCC1 ZINC001295055935 1329776808 /nfs/dbraw/zinc/77/68/08/1329776808.db2.gz JGGQXZWNVCFUEA-UHFFFAOYSA-N 0 0 345.403 2.370 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)nc1-c1ccco1 ZINC001296246746 1329877270 /nfs/dbraw/zinc/87/72/70/1329877270.db2.gz OTNBSZBPHCILBM-NSHDSACASA-N 0 0 341.367 2.452 10 10 EECERN CCOC(=O)[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001303781427 1331365592 /nfs/dbraw/zinc/36/55/92/1331365592.db2.gz DZFOKXYTKGGZMM-LJQANCHMSA-N 0 0 343.379 2.235 10 10 EECERN COc1ccc(C[NH2+][C@@](C)(CCF)C(=O)[O-])cc1Cn1cccn1 ZINC000901914512 1331526726 /nfs/dbraw/zinc/52/67/26/1331526726.db2.gz BQMFTDJZFGWMQA-KRWDZBQOSA-N 0 0 335.379 2.233 10 10 EECERN COc1ccc(C[NH2+][C@](C)(CCF)C(=O)[O-])cc1Cn1cccn1 ZINC000901914513 1331526993 /nfs/dbraw/zinc/52/69/93/1331526993.db2.gz BQMFTDJZFGWMQA-QGZVFWFLSA-N 0 0 335.379 2.233 10 10 EECERN C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC001330967593 1334936991 /nfs/dbraw/zinc/93/69/91/1334936991.db2.gz FIOBMZRIIYRROS-CKEIUWERSA-N 0 0 347.459 2.004 10 10 EECERN CN(C)c1ccc(/C=C/C[NH2+]C[C@H](Cc2cnn(C)c2)C(=O)[O-])cc1 ZINC001333175557 1335976446 /nfs/dbraw/zinc/97/64/46/1335976446.db2.gz IFZXWPOPKMXXNV-BDUNBXCCSA-N 0 0 342.443 2.032 10 10 EECERN O=C(NCCCSc1nccs1)C(=O)NCCC1CC=CC1 ZINC001333287163 1335996444 /nfs/dbraw/zinc/99/64/44/1335996444.db2.gz XLPYQHOPMJXOQQ-UHFFFAOYSA-N 0 0 339.486 2.214 10 10 EECERN CC(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001333825047 1336142169 /nfs/dbraw/zinc/14/21/69/1336142169.db2.gz CVVBKBWANFJWIY-WDEREUQCSA-N 0 0 333.392 2.128 10 10 EECERN C[C@@H](NC(=O)C(=O)NCC[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC001334161950 1336214740 /nfs/dbraw/zinc/21/47/40/1336214740.db2.gz QJPSUZGSKDYSLW-QBIMZIAESA-N 0 0 343.471 2.482 10 10 EECERN C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC001345139732 1337427843 /nfs/dbraw/zinc/42/78/43/1337427843.db2.gz MQHYOPUSRANVDC-WMLDXEAASA-N 0 0 347.434 2.110 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cc(-n3ccnn3)ccc2F)cc1 ZINC001353504799 1338269399 /nfs/dbraw/zinc/26/93/99/1338269399.db2.gz URYDSBIAYQQDAK-UHFFFAOYSA-N 0 0 339.374 2.402 10 10 EECERN CN(CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(=O)CC1CC1 ZINC001357150403 1338967367 /nfs/dbraw/zinc/96/73/67/1338967367.db2.gz ZBNGJWRZOCAYDI-UHFFFAOYSA-N 0 0 345.403 2.180 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001611431804 1352300600 /nfs/dbraw/zinc/30/06/00/1352300600.db2.gz SPMQXURGTVOVBD-VIFPVBQESA-N 0 0 344.392 2.362 10 10 EECERN CCO[C@H]1C[C@](CO)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C ZINC001616470554 1352328929 /nfs/dbraw/zinc/32/89/29/1352328929.db2.gz FRRDNFYKOUOLTI-SUMWQHHRSA-N 0 0 348.403 2.145 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC001616487790 1352329280 /nfs/dbraw/zinc/32/92/80/1352329280.db2.gz HULKQBNLWNUGRH-KBPBESRZSA-N 0 0 337.441 2.153 10 10 EECERN COc1ccc(CNC(=O)c2cc(C(F)(F)F)c[nH]c2=O)c(O)c1 ZINC001617752896 1352344754 /nfs/dbraw/zinc/34/47/54/1352344754.db2.gz LHSFECSGCDMQEY-UHFFFAOYSA-N 0 0 342.273 2.450 10 10 EECERN C=C/C=C/CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001542180249 1342327915 /nfs/dbraw/zinc/32/79/15/1342327915.db2.gz FDFNYIOOBUSPPN-QDLOVBKTSA-N 0 0 327.428 2.137 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCN(CC(C)(F)F)CC2)cc1OC ZINC001559289130 1342500443 /nfs/dbraw/zinc/50/04/43/1342500443.db2.gz IEPYIOXJSDQMEX-UHFFFAOYSA-N 0 0 345.346 2.389 10 10 EECERN Cc1nnc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)[nH]1 ZINC001676569543 1357164793 /nfs/dbraw/zinc/16/47/93/1357164793.db2.gz WLWYOSYDBXQMHB-UHFFFAOYSA-N 0 0 341.371 2.324 10 10 EECERN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1c(O)cccc1O ZINC001597574483 1349928346 /nfs/dbraw/zinc/92/83/46/1349928346.db2.gz MXNWORBJRZTILA-UHFFFAOYSA-N 0 0 344.323 2.285 10 10 EECERN Cc1c2ccccc2c(=O)oc1C(=O)NCc1ccc(O)c(O)c1 ZINC001622643547 1352386995 /nfs/dbraw/zinc/38/69/95/1352386995.db2.gz QWDOUCJIILHQPF-UHFFFAOYSA-N 0 0 325.320 2.443 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Cn2ncc3cccnc32)c1 ZINC001622779677 1352389050 /nfs/dbraw/zinc/38/90/50/1352389050.db2.gz SPVHKAQENCWOLG-LLVKDONJSA-N 0 0 326.356 2.023 10 10 EECERN COc1nc(C(=O)NCc2cccc(Br)c2O)co1 ZINC001626822976 1352474058 /nfs/dbraw/zinc/47/40/58/1352474058.db2.gz YHXCGBATNYTXRS-UHFFFAOYSA-N 0 0 327.134 2.081 10 10 EECERN CN(C[C@@](C)(O)c1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001630491010 1352569788 /nfs/dbraw/zinc/56/97/88/1352569788.db2.gz RTDOKHQADDJRFU-SINXNMPMSA-N 0 0 327.380 2.477 10 10 EECERN Cc1csc2ncc(C(=O)N[C@H](C)c3ccccc3O)c(=O)n12 ZINC001635793877 1352652405 /nfs/dbraw/zinc/65/24/05/1352652405.db2.gz MADZCDNIGXTIOD-SNVBAGLBSA-N 0 0 329.381 2.261 10 10 EECERN Cc1ncc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c(N)n1 ZINC001641972224 1352727491 /nfs/dbraw/zinc/72/74/91/1352727491.db2.gz OQTJJRRFWSSISM-UHFFFAOYSA-N 0 0 345.366 2.329 10 10 EECERN C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1cc(O)ccc1O ZINC001644752620 1352768138 /nfs/dbraw/zinc/76/81/38/1352768138.db2.gz MXLLHJXIUYYKPN-LBPRGKRZSA-N 0 0 334.416 2.189 10 10 EECERN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NCc1c(O)cccc1O ZINC001645363511 1352776977 /nfs/dbraw/zinc/77/69/77/1352776977.db2.gz YFLSNFRVLYMJLH-UHFFFAOYSA-N 0 0 341.342 2.282 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001647270655 1353213236 /nfs/dbraw/zinc/21/32/36/1353213236.db2.gz VZVBTNFUDLCRFQ-HNNXBMFYSA-N 0 0 341.411 2.021 10 10 EECERN O=C(NCc1c(O)cccc1O)C1(c2ccccc2)CCOCC1 ZINC001647270654 1353213422 /nfs/dbraw/zinc/21/34/22/1353213422.db2.gz VZUZZPZDHAWFER-UHFFFAOYSA-N 0 0 327.380 2.462 10 10 EECERN CCOC(=O)CCc1cc(NCCc2ccc(O)c(O)c2)nc(C)n1 ZINC001651592908 1354057260 /nfs/dbraw/zinc/05/72/60/1354057260.db2.gz QZFWYJDNJXYMLP-UHFFFAOYSA-N 0 0 345.399 2.347 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)c1cc(F)ccc1F ZINC001653742448 1354131535 /nfs/dbraw/zinc/13/15/35/1354131535.db2.gz YWYDOGKHBNLEKQ-OLVMAOTFSA-N 0 0 335.306 2.239 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1COc2cc(F)ccc2C1 ZINC001682854601 1358176553 /nfs/dbraw/zinc/17/65/53/1358176553.db2.gz IPUXNIFDZSKVIR-LBPRGKRZSA-N 0 0 334.322 2.473 10 10 EECERN COC(=O)C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000919080379 769572857 /nfs/dbraw/zinc/57/28/57/769572857.db2.gz ASOJHXPTQAJSIX-GDBMZVCRSA-N 0 0 347.459 2.402 10 10 EECERN COC(=O)c1cncc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000182214292 778540341 /nfs/dbraw/zinc/54/03/41/778540341.db2.gz FQISKQOVNVHXGD-UHFFFAOYSA-N 0 0 327.384 2.317 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCS2(=O)=O)cc1 ZINC000906283722 783803208 /nfs/dbraw/zinc/80/32/08/783803208.db2.gz YBDREHHOVZJKOB-QGZVFWFLSA-N 0 0 338.473 2.116 10 10 EECERN COc1ccc(N2CCC(NC(=O)[C@@H](C)c3ccnn3C)CC2)cc1 ZINC000817430871 784782749 /nfs/dbraw/zinc/78/27/49/784782749.db2.gz FXVKBJARPWALFW-AWEZNQCLSA-N 0 0 342.443 2.317 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)C2)cc1 ZINC000819587151 785596873 /nfs/dbraw/zinc/59/68/73/785596873.db2.gz WZOHBWRGKOYMGV-RNJTYBCJSA-N 0 0 330.428 2.063 10 10 EECERN COc1ccc(N2CC[C@@H](CNc3nc(C)nc(N(C)C)n3)C2)cc1 ZINC000819936330 785732138 /nfs/dbraw/zinc/73/21/38/785732138.db2.gz RRODFIJOVDCQPM-AWEZNQCLSA-N 0 0 342.447 2.193 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC1(O)CCOCC1 ZINC000910557584 786898227 /nfs/dbraw/zinc/89/82/27/786898227.db2.gz HNJHTDUMNKLHJJ-HNNXBMFYSA-N 0 0 334.460 2.040 10 10 EECERN COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)O1 ZINC000822082244 787025384 /nfs/dbraw/zinc/02/53/84/787025384.db2.gz KERGSNPQNBNVEX-RRQGHBQHSA-N 0 0 348.443 2.431 10 10 EECERN COC(OC)[C@H](C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000922913308 788319200 /nfs/dbraw/zinc/31/92/00/788319200.db2.gz SYLDZVQDTNOLAR-KBPBESRZSA-N 0 0 337.464 2.299 10 10 EECERN Oc1cc(Br)ccc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000825412895 788621958 /nfs/dbraw/zinc/62/19/58/788621958.db2.gz OWYMDBDRWOMCNL-UHFFFAOYSA-N 0 0 338.209 2.227 10 10 EECERN CCc1ccncc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000845857904 789967160 /nfs/dbraw/zinc/96/71/60/789967160.db2.gz LQXLQDWZSFSXGE-NSHDSACASA-N 0 0 343.383 2.174 10 10 EECERN CC(C)(C)OC(=O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCC1 ZINC001148911717 792779883 /nfs/dbraw/zinc/77/98/83/792779883.db2.gz UWGGBQOLHYAIQV-UHFFFAOYSA-N 0 0 335.400 2.269 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)c2ccnn2CC2CCC2)cc1 ZINC000913862320 794414338 /nfs/dbraw/zinc/41/43/38/794414338.db2.gz HNYIKCTWXHKMCX-UHFFFAOYSA-N 0 0 348.472 2.228 10 10 EECERN CN1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CCC1=O ZINC000715791330 795504561 /nfs/dbraw/zinc/50/45/61/795504561.db2.gz HOAYCWIEDPYFLC-JTQLQIEISA-N 0 0 331.185 2.004 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCCOC1 ZINC000804972478 811103666 /nfs/dbraw/zinc/10/36/66/811103666.db2.gz GXUKIEPTJJMWRJ-JTQLQIEISA-N 0 0 343.221 2.381 10 10 EECERN CCOc1cc2c(cc1C=CC(=O)OCC(=O)C(C)=O)O[C@H](C)C2 ZINC000808486370 812658154 /nfs/dbraw/zinc/65/81/54/812658154.db2.gz PVYAPHYHHUSCKR-ISALQUGTSA-N 0 0 332.352 2.123 10 10 EECERN Cc1cc(CNC(=O)C(=O)c2cnn(C)c2)c(C)n1-c1ccccc1 ZINC001438306998 1090784692 /nfs/dbraw/zinc/78/46/92/1090784692.db2.gz WESQBNVYHSFWIE-UHFFFAOYSA-N 0 0 336.395 2.327 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1nccs1 ZINC001451907279 1098025109 /nfs/dbraw/zinc/02/51/09/1098025109.db2.gz AHVDFKLUVUBNGK-BQYQJAHWSA-N 0 0 346.408 2.454 10 10 EECERN CC1(C)C(=O)Nc2cc(C(=O)NCc3cccc(O)c3O)ccc21 ZINC001455313443 1108420545 /nfs/dbraw/zinc/42/05/45/1108420545.db2.gz ADBGFFIFKXNCGW-UHFFFAOYSA-N 0 0 326.352 2.258 10 10 EECERN C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC001467259316 1110452031 /nfs/dbraw/zinc/45/20/31/1110452031.db2.gz ISYVYSWVNSAVIO-JTQLQIEISA-N 0 0 329.360 2.129 10 10 EECERN COc1cccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001470347095 1110505243 /nfs/dbraw/zinc/50/52/43/1110505243.db2.gz DOCLAAZRPAVCEP-UHFFFAOYSA-N 0 0 327.344 2.225 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@]1(c2ccccc2)CCCO1 ZINC001472000477 1110537973 /nfs/dbraw/zinc/53/79/73/1110537973.db2.gz XYRDAVKZZMHUKH-IBGZPJMESA-N 0 0 327.380 2.462 10 10 EECERN O=C(c1cccc(O)c1O)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC001472017603 1110538112 /nfs/dbraw/zinc/53/81/12/1110538112.db2.gz YTKDZNCHQGUBGQ-UHFFFAOYSA-N 0 0 337.335 2.387 10 10 EECERN Cc1nc(SCC(=O)NCc2c(O)ccc3ccccc32)n[nH]1 ZINC001472086165 1110541926 /nfs/dbraw/zinc/54/19/26/1110541926.db2.gz ONAGDICVWHVYQE-UHFFFAOYSA-N 0 0 328.397 2.380 10 10 EECERN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@H](O)C1 ZINC001511780593 1118246672 /nfs/dbraw/zinc/24/66/72/1118246672.db2.gz UOWIMSXYAHQCSW-HOCLYGCPSA-N 0 0 330.432 2.480 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)cc1 ZINC001522643794 1119447033 /nfs/dbraw/zinc/44/70/33/1119447033.db2.gz DXNMNWFVEWJQSJ-ZWKOTPCHSA-N 0 0 342.439 2.157 10 10 EECERN Cc1ncccc1/C=C\C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 ZINC001526859783 1120607247 /nfs/dbraw/zinc/60/72/47/1120607247.db2.gz GFKVDHNALLIQEI-WDZFZDKYSA-N 0 0 330.409 2.470 10 10 EECERN COC(=O)c1ccc2c(n1)CCCN2C(=O)/C=C/c1cncc(F)c1 ZINC001539009633 1124042027 /nfs/dbraw/zinc/04/20/27/1124042027.db2.gz AAECWTIOTNGRIJ-QPJJXVBHSA-N 0 0 341.342 2.395 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC001544337003 1124148476 /nfs/dbraw/zinc/14/84/76/1124148476.db2.gz JZADPKHSSNOSGT-UHFFFAOYSA-N 0 0 345.403 2.372 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC2CCN(CC(F)F)CC2)cc1 ZINC001544383172 1124151400 /nfs/dbraw/zinc/15/14/00/1124151400.db2.gz UWYAYOARNVVGGN-UHFFFAOYSA-N 0 0 339.346 2.308 10 10 EECERN COC(=O)C1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001544837277 1124170021 /nfs/dbraw/zinc/17/00/21/1124170021.db2.gz HJEKEOMKDIDJNP-UHFFFAOYSA-N 0 0 332.360 2.455 10 10 EECERN CCNC(=O)NCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001545097857 1124178880 /nfs/dbraw/zinc/17/88/80/1124178880.db2.gz SDEKNEVKFFKVDY-UHFFFAOYSA-N 0 0 343.383 2.098 10 10 EECERN CCOc1ccc(O)c(CN2CCn3c(nnc3C(F)(F)F)C2)c1 ZINC000093461232 237049433 /nfs/dbraw/zinc/04/94/33/237049433.db2.gz JNNNHPZPZDBNJG-UHFFFAOYSA-N 0 0 342.321 2.417 10 10 EECERN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCc2nc[nH]c2C1 ZINC000378076030 238290308 /nfs/dbraw/zinc/29/03/08/238290308.db2.gz XEWFVHXTQAJTBD-ZDUSSCGKSA-N 0 0 340.427 2.351 10 10 EECERN COC(=O)COc1ccc(N(C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191476246 533559029 /nfs/dbraw/zinc/55/90/29/533559029.db2.gz FESCHUFRQPRSRZ-UHFFFAOYSA-N 0 0 332.404 2.221 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000297590487 465262476 /nfs/dbraw/zinc/26/24/76/465262476.db2.gz CGTIKOZTQPAIAK-MRXNPFEDSA-N 0 0 348.443 2.158 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCC[C@H]1O ZINC000155708441 462932526 /nfs/dbraw/zinc/93/25/26/462932526.db2.gz YLHKSPFRYMYDCZ-SJLPKXTDSA-N 0 0 329.444 2.413 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H](C)CO)cc1F ZINC000077825024 463057531 /nfs/dbraw/zinc/05/75/31/463057531.db2.gz RZBJQBXTEVTUHX-QWHCGFSZSA-N 0 0 325.428 2.488 10 10 EECERN CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000042385209 463562684 /nfs/dbraw/zinc/56/26/84/463562684.db2.gz WDGYACZRKJYVLX-INIZCTEOSA-N 0 0 331.460 2.263 10 10 EECERN COC(=O)N[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000170977894 463753531 /nfs/dbraw/zinc/75/35/31/463753531.db2.gz PVCUJSULNFUGPN-MRXNPFEDSA-N 0 0 333.432 2.284 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@@H](C)OC)CC2)cc1F ZINC000188794645 464371486 /nfs/dbraw/zinc/37/14/86/464371486.db2.gz WLMUIMRJWYWQBO-QWHCGFSZSA-N 0 0 339.411 2.089 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000272296615 464552934 /nfs/dbraw/zinc/55/29/34/464552934.db2.gz HXPXMLNDEMEKPT-KGLIPLIRSA-N 0 0 341.363 2.289 10 10 EECERN C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C1CCCC1 ZINC000285593452 464620942 /nfs/dbraw/zinc/62/09/42/464620942.db2.gz AXSQEQUDLMOGHU-CQSZACIVSA-N 0 0 343.471 2.380 10 10 EECERN Cc1ccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c(O)c1O ZINC000272532999 464649032 /nfs/dbraw/zinc/64/90/32/464649032.db2.gz AXMSOIRHKYXICO-GFCCVEGCSA-N 0 0 342.399 2.352 10 10 EECERN COc1cc(Cl)cc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000184700913 465019647 /nfs/dbraw/zinc/01/96/47/465019647.db2.gz VEXBPMKYIWUIRR-CYBMUJFWSA-N 0 0 338.795 2.054 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCc3[nH]cnc3C2)c(C)n1-c1ccccn1 ZINC000371282012 465685427 /nfs/dbraw/zinc/68/54/27/465685427.db2.gz XOWNMCNKRQGQKX-AWEZNQCLSA-N 0 0 335.411 2.500 10 10 EECERN CCC[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1O ZINC000371390584 465764172 /nfs/dbraw/zinc/76/41/72/465764172.db2.gz XZXSCCHSIXIZPJ-QGZVFWFLSA-N 0 0 332.444 2.242 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@@H](CO)C3)ccc21 ZINC000298866940 523861787 /nfs/dbraw/zinc/86/17/87/523861787.db2.gz JWGVQHXUSOHHAX-WBVHZDCISA-N 0 0 331.460 2.419 10 10 EECERN NC(=O)C1CCC([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000727645378 576442114 /nfs/dbraw/zinc/44/21/14/576442114.db2.gz HRUPBFOFSMJCBS-UHFFFAOYSA-N 0 0 327.768 2.088 10 10 EECERN C[C@H](NC(=O)NCC(=O)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000773223410 577324468 /nfs/dbraw/zinc/32/44/68/577324468.db2.gz KABLWJVNGKSZMF-ZDUSSCGKSA-N 0 0 344.415 2.022 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000773744453 577362390 /nfs/dbraw/zinc/36/23/90/577362390.db2.gz CBSFORFGAGRBNE-JTQLQIEISA-N 0 0 327.340 2.442 10 10 EECERN COc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)nn1C ZINC000775920800 577448842 /nfs/dbraw/zinc/44/88/42/577448842.db2.gz IQPYHROUVCSYLH-UHFFFAOYSA-N 0 0 329.404 2.351 10 10 EECERN C[C@@H](CCNC(=O)NCc1ccc2c(c1)CCCN2C)[S@](C)=O ZINC000765979796 577510541 /nfs/dbraw/zinc/51/05/41/577510541.db2.gz IMTMPPUWVLHEHE-NPMABZOXSA-N 0 0 337.489 2.025 10 10 EECERN CCOC1CC(O)(C[NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC000767736313 577543906 /nfs/dbraw/zinc/54/39/06/577543906.db2.gz DGAAXJMXTPOWMF-UHFFFAOYSA-N 0 0 344.249 2.483 10 10 EECERN Cc1cc(C(=O)N2CCSC[C@H]2CCO)c(C)n1-c1ccccn1 ZINC000768920443 577565752 /nfs/dbraw/zinc/56/57/52/577565752.db2.gz GHGLGGBWIBUZNX-OAHLLOKOSA-N 0 0 345.468 2.429 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C/c2cn(C)nc2CC)c2ccccc21 ZINC000770568175 577599088 /nfs/dbraw/zinc/59/90/88/577599088.db2.gz ARPUDQKITDZFJD-XNTDXEJSSA-N 0 0 339.395 2.433 10 10 EECERN Cc1cc([N+](=O)[O-])ccc1/C=C1/SC(N2CCOCC2)=NC1=O ZINC000758016205 577868260 /nfs/dbraw/zinc/86/82/60/577868260.db2.gz KVKYPFFOCXTQOR-UKTHLTGXSA-N 0 0 333.369 2.206 10 10 EECERN CCOc1nc(C(=O)NCc2cc(Br)ccc2O)co1 ZINC000804735447 675609814 /nfs/dbraw/zinc/60/98/14/675609814.db2.gz ZGSXOAYNVQLCJL-UHFFFAOYSA-N 0 0 341.161 2.471 10 10 EECERN COC(=O)c1c(CN[C@H](C)c2nnc(C)[nH]2)c2cc(F)ccc2n1C ZINC000894779179 683087075 /nfs/dbraw/zinc/08/70/75/683087075.db2.gz WDAYXHCXOCYMMO-SECBINFHSA-N 0 0 345.378 2.381 10 10 EECERN COC(=O)c1cnc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000895229781 684312293 /nfs/dbraw/zinc/31/22/93/684312293.db2.gz XVOQEJDQMAOXLF-GFCCVEGCSA-N 0 0 347.440 2.307 10 10 EECERN O=S1(=O)CC(C2CN(Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000895431956 684596625 /nfs/dbraw/zinc/59/66/25/684596625.db2.gz YJFOUYQPZJHXRI-UHFFFAOYSA-N 0 0 334.485 2.153 10 10 EECERN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)NCc1cccc(Cl)c1O)C2 ZINC000896209563 684903265 /nfs/dbraw/zinc/90/32/65/684903265.db2.gz WJAIQJQZXMMFGV-GDLVEWKHSA-N 0 0 338.791 2.187 10 10 EECERN CO[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCOC1 ZINC000898580454 693382633 /nfs/dbraw/zinc/38/26/33/693382633.db2.gz KOTMWMVPBMDIFL-TVQRCGJNSA-N 0 0 337.397 2.094 10 10 EECERN O=C(NCCC[C@@H]1CCOC1=O)c1cc2cc(O)c(O)cc2s1 ZINC000899193404 693649997 /nfs/dbraw/zinc/64/99/97/693649997.db2.gz UDCHROYFMQSZKP-SECBINFHSA-N 0 0 335.381 2.386 10 10 EECERN Cc1cnn(Cc2cc(C(=O)N[C@H](C)c3ccccc3O)no2)c1 ZINC001648889540 1176752144 /nfs/dbraw/zinc/75/21/44/1176752144.db2.gz AUTQJPYKGOPSLX-GFCCVEGCSA-N 0 0 326.356 2.424 10 10 EECERN C[C@@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cncnc1 ZINC000863860571 1197904087 /nfs/dbraw/zinc/90/40/87/1197904087.db2.gz MQKTYVRTVBEVSS-CABCVRRESA-N 0 0 340.427 2.294 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000871908217 1197966254 /nfs/dbraw/zinc/96/62/54/1197966254.db2.gz GGSYUVDVCVZKIB-DUVNUKRYSA-N 0 0 330.384 2.114 10 10 EECERN COc1ccc(N2CCCN(C(=O)CCc3ccnn3C)CC2)cc1 ZINC000120372876 1198079709 /nfs/dbraw/zinc/07/97/09/1198079709.db2.gz USIKJMZNSSIDMG-UHFFFAOYSA-N 0 0 342.443 2.100 10 10 EECERN Cc1cc(C(=O)NC[C@H](O)[C@@H](C)O)c(C)n1-c1cccc(Cl)c1 ZINC000871129326 1201063668 /nfs/dbraw/zinc/06/36/68/1201063668.db2.gz PTVPXLAQJCIHTO-WBMJQRKESA-N 0 0 336.819 2.219 10 10 EECERN CCOc1ccc(C(=O)NCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871198400 1201096091 /nfs/dbraw/zinc/09/60/91/1201096091.db2.gz JCMLMQDUBJOALJ-UHFFFAOYSA-N 0 0 340.379 2.063 10 10 EECERN O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200581 1201097156 /nfs/dbraw/zinc/09/71/56/1201097156.db2.gz HBNKQTKVFQFPKR-HNNXBMFYSA-N 0 0 346.452 2.326 10 10 EECERN Cc1cc(=O)cc(C)n1CCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871205194 1201099150 /nfs/dbraw/zinc/09/91/50/1201099150.db2.gz QXWDXKUOAVZWFT-UHFFFAOYSA-N 0 0 326.396 2.493 10 10 EECERN CC(C)C[C@@]1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCNC1=O ZINC000867503614 1201624210 /nfs/dbraw/zinc/62/42/10/1201624210.db2.gz NJKBUJYTPDHEER-LIRRHRJNSA-N 0 0 331.460 2.482 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000868902646 1201902744 /nfs/dbraw/zinc/90/27/44/1201902744.db2.gz FXWYCIATQVEIGI-ZRKHILAZSA-N 0 0 332.400 2.184 10 10 EECERN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccnn1C ZINC000869176266 1201955963 /nfs/dbraw/zinc/95/59/63/1201955963.db2.gz FRDKVQAULLEROK-ZDUSSCGKSA-N 0 0 327.432 2.363 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(CO)c(C)o3)C2)cc1 ZINC000869228663 1201969898 /nfs/dbraw/zinc/96/98/98/1201969898.db2.gz MBNSERZSILAEJE-AWEZNQCLSA-N 0 0 330.384 2.098 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)NC2CC(CC(N)=O)C2)cc1 ZINC000925057130 1206066047 /nfs/dbraw/zinc/06/60/47/1206066047.db2.gz CKLGZLPTIIWLLU-UHFFFAOYSA-N 0 0 346.475 2.328 10 10 EECERN CC(C)(C)OC(=O)NCC1(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928707669 1206413665 /nfs/dbraw/zinc/41/36/65/1206413665.db2.gz GGVGNOXPTXDTDR-UHFFFAOYSA-N 0 0 338.379 2.452 10 10 EECERN COCCn1nc(C)c(NC(=O)NCc2c(O)cccc2F)c1C ZINC000930673062 1206574558 /nfs/dbraw/zinc/57/45/58/1206574558.db2.gz AQQQWLBYBHMQRR-UHFFFAOYSA-N 0 0 336.367 2.313 10 10 EECERN C[C@H]1CCN(c2cc(C(=O)NCc3ccc(O)c(O)c3)ccn2)C1 ZINC000778913819 1208400279 /nfs/dbraw/zinc/40/02/79/1208400279.db2.gz DITYVVGRHYDKPD-LBPRGKRZSA-N 0 0 327.384 2.269 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000795586415 1214388723 /nfs/dbraw/zinc/38/87/23/1214388723.db2.gz YYADMUURZUQNJP-AAEUAGOBSA-N 0 0 344.249 2.198 10 10 EECERN CNC(=O)CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800570727 1234320099 /nfs/dbraw/zinc/32/00/99/1234320099.db2.gz CGPRUFSNUUKEDI-GFCCVEGCSA-N 0 0 337.851 2.329 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(CC)C2=O)cc1 ZINC000801798158 1236206177 /nfs/dbraw/zinc/20/61/77/1236206177.db2.gz SUMFTGRUBLKXDK-QGZVFWFLSA-N 0 0 346.475 2.295 10 10 EECERN CN(C)c1cnccc1NC(=O)NCCCSc1nccs1 ZINC000801922790 1236438171 /nfs/dbraw/zinc/43/81/71/1236438171.db2.gz OSCKAXVYJDOVHV-UHFFFAOYSA-N 0 0 337.474 2.330 10 10 EECERN CO[C@@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCOC1 ZINC000850344378 1277189110 /nfs/dbraw/zinc/18/91/10/1277189110.db2.gz GYFIQCFKRXOTGQ-ZANVPECISA-N 0 0 330.768 2.095 10 10 EECERN CCOCc1cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)ccc1OC ZINC000850367623 1277202529 /nfs/dbraw/zinc/20/25/29/1277202529.db2.gz AWXUQHWBZFVVMY-BBRMVZONSA-N 0 0 341.473 2.287 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000850625264 1277284411 /nfs/dbraw/zinc/28/44/11/1277284411.db2.gz CDGWHGWWUSOABV-HOCLYGCPSA-N 0 0 348.443 2.205 10 10 EECERN CN(C(=O)NCCc1ccc(N)cc1)[C@H](CO)Cc1ccccc1 ZINC000851662492 1277707069 /nfs/dbraw/zinc/70/70/69/1277707069.db2.gz DDNWXZZQUZZZLT-SFHVURJKSA-N 0 0 327.428 2.056 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C3CCOCC3)C2)cc1 ZINC000852207186 1292040470 /nfs/dbraw/zinc/04/04/70/1292040470.db2.gz AYJRJXRYPQHBKS-GOEBONIOSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CSC[C@H]3C)C2)cc1 ZINC000852326861 1292094124 /nfs/dbraw/zinc/09/41/24/1292094124.db2.gz SBQUZVMCBNIGIB-WWGRRREGSA-N 0 0 335.473 2.325 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000854176759 1292662283 /nfs/dbraw/zinc/66/22/83/1292662283.db2.gz MEZKINMTJDFVGW-URLQWDBASA-N 0 0 331.460 2.158 10 10 EECERN CNC(=O)[C@@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000854963666 1293003409 /nfs/dbraw/zinc/00/34/09/1293003409.db2.gz VLXCDVDZZYBCAR-MRXNPFEDSA-N 0 0 339.439 2.231 10 10 EECERN CCC(C)(C)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855368284 1293192392 /nfs/dbraw/zinc/19/23/92/1293192392.db2.gz LAAOGHCYZBGVIZ-JTQLQIEISA-N 0 0 328.434 2.318 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]12OCCC[C@H]1C2(F)F ZINC000855783821 1293325443 /nfs/dbraw/zinc/32/54/43/1293325443.db2.gz WGDKSENZQYUWIO-HNLSUCLVSA-N 0 0 325.311 2.042 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000858600160 1294164676 /nfs/dbraw/zinc/16/46/76/1294164676.db2.gz TVRHHEVLBUSZOE-RLFYNMQTSA-N 0 0 345.443 2.141 10 10 EECERN CCOCCn1cc(C(=O)NCc2ccc3cccnc3c2O)cn1 ZINC000862024844 1295658752 /nfs/dbraw/zinc/65/87/52/1295658752.db2.gz IOXCXYLQPIDRGN-UHFFFAOYSA-N 0 0 340.383 2.103 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)c1 ZINC000862759133 1295953493 /nfs/dbraw/zinc/95/34/93/1295953493.db2.gz WYNGLNNJVPHDKU-OAHLLOKOSA-N 0 0 348.468 2.409 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CCC(=O)NC2)cc1 ZINC000798363279 1304985868 /nfs/dbraw/zinc/98/58/68/1304985868.db2.gz XSJWFVUSGBEOPF-IBGZPJMESA-N 0 0 331.460 2.408 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3cn(C)nc3C)C2)cc1 ZINC001118785246 1308942177 /nfs/dbraw/zinc/94/21/77/1308942177.db2.gz CPCYGHYVAZBWCY-INIZCTEOSA-N 0 0 342.443 2.065 10 10 EECERN CO[C@@H]1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC001119697789 1309163120 /nfs/dbraw/zinc/16/31/20/1309163120.db2.gz ZXVPHZGQNGJLPG-QWHCGFSZSA-N 0 0 338.791 2.377 10 10 EECERN CN(C)c1ccc(CNC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)cc1 ZINC001124552445 1310915752 /nfs/dbraw/zinc/91/57/52/1310915752.db2.gz HACDQHBDHGCJMU-NTMALXAHSA-N 0 0 348.424 2.079 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)[C@@H]1CCOC1 ZINC001137913884 1314516526 /nfs/dbraw/zinc/51/65/26/1314516526.db2.gz JQSIWHLSWDQVHF-KGLIPLIRSA-N 0 0 334.441 2.283 10 10 EECERN COC(=O)[C@H]1CSCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000839675146 1315230506 /nfs/dbraw/zinc/23/05/06/1315230506.db2.gz CHGQVYRLLGZCBI-GFCCVEGCSA-N 0 0 341.404 2.072 10 10 EECERN COc1ccc(N2CCN(CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)cc1F ZINC000840027564 1315277670 /nfs/dbraw/zinc/27/76/70/1315277670.db2.gz ZJSPFVHZLZAQSV-HOCLYGCPSA-N 0 0 347.434 2.172 10 10 EECERN C[C@H](O)[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000840975833 1315449631 /nfs/dbraw/zinc/44/96/31/1315449631.db2.gz ASNVLQKPCSKEGI-KSSFIOAISA-N 0 0 349.431 2.167 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)nc1 ZINC000841297926 1315524413 /nfs/dbraw/zinc/52/44/13/1315524413.db2.gz LLOQZURJSUEOGU-UHFFFAOYSA-N 0 0 327.388 2.027 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCNC[C@H]2c2cccnc2)cc1 ZINC000841654839 1315591223 /nfs/dbraw/zinc/59/12/23/1315591223.db2.gz QASKMXQVYSVZRI-SFHVURJKSA-N 0 0 339.443 2.004 10 10 EECERN Cc1cnc2c(cnn2CC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142731322 1315718800 /nfs/dbraw/zinc/71/88/00/1315718800.db2.gz ULYFUJIWKFBDMI-UHFFFAOYSA-N 0 0 347.378 2.310 10 10 EECERN COc1ccc(N2CCN(C(=O)c3cc(C=O)[nH]c3C)CC2)cc1F ZINC001150239979 1316212518 /nfs/dbraw/zinc/21/25/18/1316212518.db2.gz LQDMEQVSILGKQI-UHFFFAOYSA-N 0 0 345.374 2.246 10 10 EECERN Nc1ccc(CCNC(=O)C(=O)NCC2(C3CCC3)CCC2)cc1 ZINC001261379084 1322084197 /nfs/dbraw/zinc/08/41/97/1322084197.db2.gz RNRLJDPBJUIBEV-UHFFFAOYSA-N 0 0 329.444 2.014 10 10 EECERN CCCC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001280413943 1324209311 /nfs/dbraw/zinc/20/93/11/1324209311.db2.gz GNIIFCHRMLIRIX-LLVKDONJSA-N 0 0 333.392 2.226 10 10 EECERN CC/C(C)=C/C(=O)N(C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001280998359 1324705953 /nfs/dbraw/zinc/70/59/53/1324705953.db2.gz DDBSATUDZOOACJ-RPHSKFLZSA-N 0 0 349.431 2.032 10 10 EECERN CC1(C)CC[C@H]1C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001283079079 1325911655 /nfs/dbraw/zinc/91/16/55/1325911655.db2.gz RROZBCHTZXKSSE-ZDUSSCGKSA-N 0 0 345.403 2.131 10 10 EECERN CC[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001283285751 1325988973 /nfs/dbraw/zinc/98/89/73/1325988973.db2.gz QYRREFYYPNMZTE-BXUZGUMPSA-N 0 0 345.403 2.131 10 10 EECERN CN(CCCNC(=O)CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001283481233 1326091436 /nfs/dbraw/zinc/09/14/36/1326091436.db2.gz ZFJMGVPCWQUIAO-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN COc1cccc(CNC(=O)c2cc(-n3ccnn3)ccc2F)c1O ZINC001294925964 1329764618 /nfs/dbraw/zinc/76/46/18/1329764618.db2.gz VVSQFQHAXXMHCQ-UHFFFAOYSA-N 0 0 342.330 2.051 10 10 EECERN CCOC(=O)CC[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001295454245 1329812742 /nfs/dbraw/zinc/81/27/42/1329812742.db2.gz OOMZOXXITGUOKF-CYBMUJFWSA-N 0 0 335.400 2.222 10 10 EECERN Cc1cc(C(=O)NCc2c(O)cccc2O)nc(C(F)(F)F)n1 ZINC001304053266 1331374802 /nfs/dbraw/zinc/37/48/02/1331374802.db2.gz GDFGOLTUAMXQOF-UHFFFAOYSA-N 0 0 327.262 2.145 10 10 EECERN C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cscn1 ZINC001328420674 1334456793 /nfs/dbraw/zinc/45/67/93/1334456793.db2.gz ORWYDGZUMNUJTN-RYUDHWBXSA-N 0 0 346.456 2.264 10 10 EECERN Cc1ccc(O)c(CNS(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c1 ZINC001328853303 1334534843 /nfs/dbraw/zinc/53/48/43/1334534843.db2.gz VSXNJRWQVRFUCM-LBPRGKRZSA-N 0 0 335.429 2.273 10 10 EECERN CCC[C@]1(COC)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329481615 1334658976 /nfs/dbraw/zinc/65/89/76/1334658976.db2.gz AZMZIJKOCAJREH-LJQANCHMSA-N 0 0 346.427 2.042 10 10 EECERN C[C@@H](NC(=O)C(=O)NCC[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC001331076647 1334959124 /nfs/dbraw/zinc/95/91/24/1334959124.db2.gz FYHSDVANHYZRJY-DGCLKSJQSA-N 0 0 339.386 2.091 10 10 EECERN NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001331568235 1335038618 /nfs/dbraw/zinc/03/86/18/1335038618.db2.gz LICCVFONSZTWFM-GOSISDBHSA-N 0 0 332.350 2.299 10 10 EECERN Cc1ccc(CC[C@@H](C)NC(=O)C(=O)N(C)Cc2ccccc2O)o1 ZINC001342684404 1337319588 /nfs/dbraw/zinc/31/95/88/1337319588.db2.gz YJZWUERGFOLZAD-CYBMUJFWSA-N 0 0 344.411 2.390 10 10 EECERN CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@@](C)(C(=O)[O-])C2)cc1F ZINC001350668649 1337735261 /nfs/dbraw/zinc/73/52/61/1337735261.db2.gz TYDGQECVHAJLPN-MEDUHNTESA-N 0 0 328.359 2.143 10 10 EECERN CC(C)c1nnc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cn21 ZINC001616853501 1352333153 /nfs/dbraw/zinc/33/31/53/1352333153.db2.gz MAEMYHYMCXIBEC-UHFFFAOYSA-N 0 0 326.356 2.445 10 10 EECERN CCC(=O)NC[C@@H](C)N(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001572662527 1343549656 /nfs/dbraw/zinc/54/96/56/1343549656.db2.gz FAJXPDBETNBTTK-LLVKDONJSA-N 0 0 333.392 2.226 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)c1ccc(-n2cnnn2)cc1 ZINC001597736731 1349930947 /nfs/dbraw/zinc/93/09/47/1349930947.db2.gz KRQRDSMMYQOQCC-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN Cn1c(Cl)ncc1C(=O)NCc1cccc(Br)c1O ZINC001623363125 1352395403 /nfs/dbraw/zinc/39/54/03/1352395403.db2.gz BFUXWQOIQMTCSH-UHFFFAOYSA-N 0 0 344.596 2.472 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCCN1CCc2ccccc21 ZINC001624121083 1352414236 /nfs/dbraw/zinc/41/42/36/1352414236.db2.gz GAKOULVDTRZGIJ-UHFFFAOYSA-N 0 0 326.396 2.209 10 10 EECERN CN(C)c1ccc(CN(C(=O)c2ccnc(CO)c2)C2CC2)cc1 ZINC001624262480 1352417874 /nfs/dbraw/zinc/41/78/74/1352417874.db2.gz VNTNLMCMDPUFDV-UHFFFAOYSA-N 0 0 325.412 2.445 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]nc1-c1ccco1 ZINC001624955184 1352435898 /nfs/dbraw/zinc/43/58/98/1352435898.db2.gz UAGBEVWWIWMOQI-JTQLQIEISA-N 0 0 327.340 2.442 10 10 EECERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc(O)cc2O)c1 ZINC001626838306 1352474854 /nfs/dbraw/zinc/47/48/54/1352474854.db2.gz WEFBGFATFJZMSQ-UHFFFAOYSA-N 0 0 346.339 2.400 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cccc(-n2ccnn2)c1 ZINC001627073448 1352482277 /nfs/dbraw/zinc/48/22/77/1352482277.db2.gz NUTWYCQTYBTUAA-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2O)cc1 ZINC001631535761 1352585434 /nfs/dbraw/zinc/58/54/34/1352585434.db2.gz GPHUBXBTLGCMQH-UHFFFAOYSA-N 0 0 333.409 2.181 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC001633322796 1352608807 /nfs/dbraw/zinc/60/88/07/1352608807.db2.gz FETMUELQYLRFMZ-YVLXSGLVSA-N 0 0 325.455 2.136 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001633818766 1352618416 /nfs/dbraw/zinc/61/84/16/1352618416.db2.gz LBFBJYBAEDUWME-LLVKDONJSA-N 0 0 340.383 2.187 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCCC(=O)N1 ZINC001641972327 1352727484 /nfs/dbraw/zinc/72/74/84/1352727484.db2.gz SGGXRENKFUWWAA-CYBMUJFWSA-N 0 0 335.367 2.004 10 10 EECERN COC(=O)Nc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001648460817 1353430881 /nfs/dbraw/zinc/43/08/81/1353430881.db2.gz XXRNYELCBZUZLC-UHFFFAOYSA-N 0 0 334.303 2.345 10 10 EECERN COC(=O)C[C@](C)(NC(=O)c1ccc(C)c(O)c1O)c1cccnc1 ZINC001654050943 1354140071 /nfs/dbraw/zinc/14/00/71/1354140071.db2.gz AQXBKBFKWIXSPK-SFHVURJKSA-N 0 0 344.367 2.010 10 10 EECERN CO[C@]1(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCOC1 ZINC001671377196 1356333176 /nfs/dbraw/zinc/33/31/76/1356333176.db2.gz KDKFCTKFEGVBMS-IBGZPJMESA-N 0 0 347.459 2.234 10 10 EECERN C/C=C(/C)C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001688153517 1358814841 /nfs/dbraw/zinc/81/48/41/1358814841.db2.gz VRBSSZOPJBAXPU-JQWKHLAZSA-N 0 0 331.376 2.050 10 10 EECERN COc1ccc(N2CCN(Cc3nnc(C)n3C3CC3)CC2)cc1 ZINC000154679477 769025883 /nfs/dbraw/zinc/02/58/83/769025883.db2.gz VFZZMLGTYANKEB-UHFFFAOYSA-N 0 0 327.432 2.252 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000918444517 769098313 /nfs/dbraw/zinc/09/83/13/769098313.db2.gz QPBBVEUOWMRRRX-UHFFFAOYSA-N 0 0 346.333 2.218 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)/C=C/c2cnn(C)c2)c2ccccc21 ZINC000130767293 773581931 /nfs/dbraw/zinc/58/19/31/773581931.db2.gz QONSIQQTPLCPTI-MVGZEHJDSA-N 0 0 325.368 2.127 10 10 EECERN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)(C)C ZINC000846735582 790481566 /nfs/dbraw/zinc/48/15/66/790481566.db2.gz NTUQPKAVJDCVRG-CQSZACIVSA-N 0 0 329.444 2.230 10 10 EECERN COc1cc(-c2noc(CN(C)c3ccc(OC)c(F)c3)n2)ncn1 ZINC000828040690 781254212 /nfs/dbraw/zinc/25/42/12/781254212.db2.gz LRSLAEMUFWRQPA-UHFFFAOYSA-N 0 0 345.334 2.319 10 10 EECERN COC(=O)c1cnc(SC[C@@H](O)CC2(CO)CCCC2)s1 ZINC000905957790 783610894 /nfs/dbraw/zinc/61/08/94/783610894.db2.gz NJKDXZSXXFHSGI-JTQLQIEISA-N 0 0 331.459 2.326 10 10 EECERN COC(=O)c1nc(C(=O)NCCCSc2nccs2)cs1 ZINC000906668914 784067077 /nfs/dbraw/zinc/06/70/77/784067077.db2.gz ANFSWEOOBDNWQD-UHFFFAOYSA-N 0 0 343.455 2.298 10 10 EECERN C[C@H](C(=O)NCc1cc(Br)ccc1O)c1ccnn1C ZINC000817604485 784868603 /nfs/dbraw/zinc/86/86/03/784868603.db2.gz XWYPAAQMCFQFIP-VIFPVBQESA-N 0 0 338.205 2.308 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1 ZINC001136171723 785339476 /nfs/dbraw/zinc/33/94/76/785339476.db2.gz ZEERJWDXCVRCTJ-UHFFFAOYSA-N 0 0 326.356 2.484 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c(cn1)OCCO2 ZINC000819292854 785488663 /nfs/dbraw/zinc/48/86/63/785488663.db2.gz XSALGXMZSLMHAN-UHFFFAOYSA-N 0 0 327.384 2.157 10 10 EECERN O=C(/C=C\[C@@H]1CCCO1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819332347 785510387 /nfs/dbraw/zinc/51/03/87/785510387.db2.gz BQZYNTUJHSLOAK-LEXSJLIMSA-N 0 0 348.418 2.138 10 10 EECERN COc1ccc(N2CCCN(C(=O)Nc3c(C)cnn3C)CC2)cc1 ZINC000824380152 788153789 /nfs/dbraw/zinc/15/37/89/788153789.db2.gz MXWSLXZMWYOXOA-UHFFFAOYSA-N 0 0 343.431 2.481 10 10 EECERN Cc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c(N(C)C)nn1 ZINC000824541805 788224838 /nfs/dbraw/zinc/22/48/38/788224838.db2.gz IIJXXBGOPLQGRP-UHFFFAOYSA-N 0 0 346.410 2.378 10 10 EECERN COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1O ZINC000825202183 788497240 /nfs/dbraw/zinc/49/72/40/788497240.db2.gz PRXSNNPAEXWRIR-GXTWGEPZSA-N 0 0 345.848 2.206 10 10 EECERN COC[C@@H]1C[C@@H](O)CN1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000844394531 789062713 /nfs/dbraw/zinc/06/27/13/789062713.db2.gz UWDIPWKVUVMOTM-ZWKOTPCHSA-N 0 0 342.439 2.358 10 10 EECERN O=C1N[C@H](CCF)C(=O)N1Cc1ccc(N2CCSCC2)cc1 ZINC000844719664 789324248 /nfs/dbraw/zinc/32/42/48/789324248.db2.gz QFQLVZNXMMFSFR-CQSZACIVSA-N 0 0 337.420 2.020 10 10 EECERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000844756430 789351185 /nfs/dbraw/zinc/35/11/85/789351185.db2.gz FBHFWQDLISWIMJ-DZGCQCFKSA-N 0 0 337.416 2.370 10 10 EECERN COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)C1=CC(=O)CS1 ZINC000921606281 789830530 /nfs/dbraw/zinc/83/05/30/789830530.db2.gz GVBLPDMPGXIEOW-INIZCTEOSA-N 0 0 337.372 2.497 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC000845759925 789936087 /nfs/dbraw/zinc/93/60/87/789936087.db2.gz YHXJCRVSORUCIP-OAHLLOKOSA-N 0 0 341.411 2.310 10 10 EECERN CCOc1ccc(CN2CCn3c(CC4CC4)nnc3C2)c(O)c1 ZINC000846014498 790022859 /nfs/dbraw/zinc/02/28/59/790022859.db2.gz QYOZBYCYXXFHCB-UHFFFAOYSA-N 0 0 328.416 2.351 10 10 EECERN Cc1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000846440780 790160489 /nfs/dbraw/zinc/16/04/89/790160489.db2.gz RLSODEXQHGRTPC-GASCZTMLSA-N 0 0 325.412 2.396 10 10 EECERN COc1cccc(CNC(=O)c2cc(-c3ccn(C)c3)n[nH]2)c1O ZINC001150543083 798304990 /nfs/dbraw/zinc/30/49/90/798304990.db2.gz IESKSNCXIWHARD-UHFFFAOYSA-N 0 0 326.356 2.059 10 10 EECERN CO[C@@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000786113537 806689814 /nfs/dbraw/zinc/68/98/14/806689814.db2.gz QPZLOCGIVBDCKH-ZNMIVQPWSA-N 0 0 335.448 2.307 10 10 EECERN CO[C@]1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCSC1 ZINC000925350643 798847701 /nfs/dbraw/zinc/84/77/01/798847701.db2.gz HVTCGXVVJLFUQA-KRWDZBQOSA-N 0 0 337.489 2.416 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000790999802 809018598 /nfs/dbraw/zinc/01/85/98/809018598.db2.gz JFPRUCSHZUYCKL-SECBINFHSA-N 0 0 328.128 2.476 10 10 EECERN C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807289653 812175869 /nfs/dbraw/zinc/17/58/69/812175869.db2.gz DAFSCRNUDJMDBX-HZPDHXFCSA-N 0 0 341.455 2.326 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000808500128 812696200 /nfs/dbraw/zinc/69/62/00/812696200.db2.gz FJROSVHRZXYBBR-UHFFFAOYSA-N 0 0 325.320 2.254 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000808540302 812709826 /nfs/dbraw/zinc/70/98/26/812709826.db2.gz SXRFBGDUXPPQAV-UHFFFAOYSA-N 0 0 335.356 2.026 10 10 EECERN COc1ccc(N2CCN(C(=O)/C=C/[C@H]3COC(C)(C)O3)CC2)cc1 ZINC001445749066 1091581967 /nfs/dbraw/zinc/58/19/67/1091581967.db2.gz WPXABDPWQLCBNE-IJDCCNJMSA-N 0 0 346.427 2.052 10 10 EECERN O=C(/C=C/c1cncc(O)c1)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001452683899 1105641564 /nfs/dbraw/zinc/64/15/64/1105641564.db2.gz FCBLQXOWZYELAE-IHVVCDCBSA-N 0 0 328.343 2.137 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001456082890 1109071065 /nfs/dbraw/zinc/07/10/65/1109071065.db2.gz BQUZOHSGPACYBS-UHFFFAOYSA-N 0 0 348.286 2.141 10 10 EECERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2c(O)cccc2O)s1 ZINC001458640264 1109919448 /nfs/dbraw/zinc/91/94/48/1109919448.db2.gz KWTBPUFXIFCVCF-UHFFFAOYSA-N 0 0 344.370 2.083 10 10 EECERN COc1ccc(COCC(=O)Nc2c3nonc3ccc2Cl)cn1 ZINC001459789764 1110248401 /nfs/dbraw/zinc/24/84/01/1110248401.db2.gz SOUFAEUKBFKJBI-UHFFFAOYSA-N 0 0 348.746 2.435 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC001463943902 1110384067 /nfs/dbraw/zinc/38/40/67/1110384067.db2.gz XUBABVNDMAZVRJ-ZDUSSCGKSA-N 0 0 340.339 2.419 10 10 EECERN COC(=O)/C=C/c1ccc(C(=O)NCc2ccc(OC)cc2O)o1 ZINC001467472125 1110456980 /nfs/dbraw/zinc/45/69/80/1110456980.db2.gz YTFAVLPDYQEMOX-SOFGYWHQSA-N 0 0 331.324 2.110 10 10 EECERN COC(=O)/C=C\c1ccc(C(=O)NCc2ccc(OC)cc2O)o1 ZINC001467472126 1110457003 /nfs/dbraw/zinc/45/70/03/1110457003.db2.gz YTFAVLPDYQEMOX-VURMDHGXSA-N 0 0 331.324 2.110 10 10 EECERN CS(=O)(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)s1 ZINC001472316872 1110551492 /nfs/dbraw/zinc/55/14/92/1110551492.db2.gz KLSGQQFFDOUMFA-UHFFFAOYSA-N 0 0 345.829 2.441 10 10 EECERN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cccc(O)c1O ZINC001520509737 1119170932 /nfs/dbraw/zinc/17/09/32/1119170932.db2.gz UYYOWIHPPSXTQJ-LLVKDONJSA-N 0 0 338.404 2.360 10 10 EECERN C[C@@H](CNC(=O)[C@@H]1CC1(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001526502228 1120531752 /nfs/dbraw/zinc/53/17/52/1120531752.db2.gz WNNKPHACSBYEAU-GWCFXTLKSA-N 0 0 345.403 2.130 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)COc1cccc(C(N)=O)c1 ZINC000066096216 215010248 /nfs/dbraw/zinc/01/02/48/215010248.db2.gz LEKWTKWJKLZSIJ-UHFFFAOYSA-N 0 0 342.395 2.309 10 10 EECERN COc1cc2c(c(OC)c1OC)C(=O)c1c(O)c(O)c(C)cc1C2=O ZINC000014647433 290970769 /nfs/dbraw/zinc/97/07/69/290970769.db2.gz VUVVKGDLHYXJFW-UHFFFAOYSA-N 0 0 344.319 2.207 10 10 biogenic,in-vitro EECERN Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000040474048 213311437 /nfs/dbraw/zinc/31/14/37/213311437.db2.gz HSFOIOOZODLAFZ-CQSZACIVSA-N 0 0 332.425 2.011 10 10 EECERN C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@H]1C ZINC000297259538 465250181 /nfs/dbraw/zinc/25/01/81/465250181.db2.gz DYVASPLQOZOYLN-STQMWFEESA-N 0 0 335.423 2.337 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn2c1CCCC2 ZINC000127268886 463692842 /nfs/dbraw/zinc/69/28/42/463692842.db2.gz YUVFNBRCORYPIY-UHFFFAOYSA-N 0 0 326.400 2.325 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000283705730 463979246 /nfs/dbraw/zinc/97/92/46/463979246.db2.gz RTZAYSJKNGCTDZ-OAHLLOKOSA-N 0 0 333.432 2.325 10 10 EECERN CCn1c(C)nnc1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000195096966 463990038 /nfs/dbraw/zinc/99/00/38/463990038.db2.gz BPNQIVMATHXPPI-UHFFFAOYSA-N 0 0 329.448 2.327 10 10 EECERN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000280839856 464260444 /nfs/dbraw/zinc/26/04/44/464260444.db2.gz YCVBLDUFLSVHKZ-PWSUYJOCSA-N 0 0 338.360 2.130 10 10 EECERN Nc1ccc(CC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000237885792 464395511 /nfs/dbraw/zinc/39/55/11/464395511.db2.gz VPXPMVLBDKOGCT-UHFFFAOYSA-N 0 0 343.471 2.499 10 10 EECERN Cc1nccn1C[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181162476 464451808 /nfs/dbraw/zinc/45/18/08/464451808.db2.gz GWKRHNGHGVYUTO-ZKKXHLJNSA-N 0 0 327.384 2.307 10 10 EECERN CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000294626515 464556705 /nfs/dbraw/zinc/55/67/05/464556705.db2.gz WVPJMEDESLYFAI-FUHWJXTLSA-N 0 0 332.444 2.345 10 10 EECERN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3[O-])C2=O)n(C)n1 ZINC000182483410 464666439 /nfs/dbraw/zinc/66/64/39/464666439.db2.gz CQUDAYPLLDUWHO-CQSZACIVSA-N 0 0 348.834 2.373 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCO[C@H](Cn3cccn3)C2)c1O ZINC000177139456 464940576 /nfs/dbraw/zinc/94/05/76/464940576.db2.gz OMVNRZVIJRCEBE-HNNXBMFYSA-N 0 0 349.818 2.346 10 10 EECERN CCN(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(OC)cc1 ZINC000267964594 464945683 /nfs/dbraw/zinc/94/56/83/464945683.db2.gz ULLCGCSRWMPWPO-CQSZACIVSA-N 0 0 326.462 2.193 10 10 EECERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(N2CC=CC2)cc1 ZINC000301333235 465945795 /nfs/dbraw/zinc/94/57/95/465945795.db2.gz FIOSQZAQJNXTGQ-UHFFFAOYSA-N 0 0 339.355 2.077 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000374189167 467030725 /nfs/dbraw/zinc/03/07/25/467030725.db2.gz GZRQMYYFIIRMDS-IMJJTQAJSA-N 0 0 345.443 2.323 10 10 EECERN C[C@@H](NC(=O)C1=CC(=O)CS1)c1cccc(NS(C)(=O)=O)c1 ZINC000731870241 577128803 /nfs/dbraw/zinc/12/88/03/577128803.db2.gz WICQVVAFOIINOH-SECBINFHSA-N 0 0 340.426 2.316 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnc2n1CCC2 ZINC000772370365 577267510 /nfs/dbraw/zinc/26/75/10/577267510.db2.gz UYLGNARTFNQPJC-UHFFFAOYSA-N 0 0 348.472 2.106 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](Cc2ccccn2)C1=O ZINC000761360269 577682589 /nfs/dbraw/zinc/68/25/89/577682589.db2.gz XAUXUNLJRDGCEC-QGZVFWFLSA-N 0 0 338.411 2.119 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000763216337 577716977 /nfs/dbraw/zinc/71/69/77/577716977.db2.gz DCZWKGCRPGGYTF-VKJFTORMSA-N 0 0 347.459 2.308 10 10 EECERN CN(C[C@@H]1CC=CCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000753103520 577781604 /nfs/dbraw/zinc/78/16/04/577781604.db2.gz BMBSKQVCRPSPNB-GFCCVEGCSA-N 0 0 338.429 2.192 10 10 EECERN Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000754172099 577801661 /nfs/dbraw/zinc/80/16/61/577801661.db2.gz XRJRRGKYEMYSPF-CQSZACIVSA-N 0 0 340.427 2.421 10 10 EECERN Cc1nc2ccc(/C=C3\SC(=S)N(CC(N)=O)C3=O)cc2s1 ZINC000754830628 577814425 /nfs/dbraw/zinc/81/44/25/577814425.db2.gz CJMWWGYUFOZJMJ-WZUFQYTHSA-N 0 0 349.462 2.291 10 10 EECERN C[C@H](COC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(F)(F)F ZINC000748258768 577958359 /nfs/dbraw/zinc/95/83/59/577958359.db2.gz OYMAMTGSBKPXLG-SSDOTTSWSA-N 0 0 341.307 2.119 10 10 EECERN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCOC(C)(C)C)c1 ZINC000866841433 674589541 /nfs/dbraw/zinc/58/95/41/674589541.db2.gz BXOCPODPYIOLTD-NSHDSACASA-N 0 0 331.434 2.196 10 10 EECERN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781907177 679289600 /nfs/dbraw/zinc/28/96/00/679289600.db2.gz FQNVLRKNCJIIDT-SNVBAGLBSA-N 0 0 329.238 2.277 10 10 EECERN OCc1nnn2c1CN(Cc1cc(-c3ccccc3)ccc1O)CC2 ZINC000894803313 683100233 /nfs/dbraw/zinc/10/02/33/683100233.db2.gz LZFKWRXVSXCNGU-UHFFFAOYSA-N 0 0 336.395 2.159 10 10 EECERN O=C(NCC[C@H]1CCC2(CCOCC2)CO1)c1cccc(O)c1O ZINC000899454073 693747635 /nfs/dbraw/zinc/74/76/35/693747635.db2.gz FCGQHHUVUVJBPH-CYBMUJFWSA-N 0 0 335.400 2.194 10 10 EECERN C[C@H](NC(=O)NCC1CSC1)c1ccc(N2CCOCC2)cc1 ZINC000914400579 683559926 /nfs/dbraw/zinc/55/99/26/683559926.db2.gz OSUQRQINQPTNLT-ZDUSSCGKSA-N 0 0 335.473 2.246 10 10 EECERN C[C@@H](NC(=O)N1CCC(=O)[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000914400493 683559937 /nfs/dbraw/zinc/55/99/37/683559937.db2.gz MMSMYOSHILDLRI-HUUCEWRRSA-N 0 0 345.443 2.205 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N[C@H](C(=O)NC)C(C)C)cc1 ZINC000178424358 688087224 /nfs/dbraw/zinc/08/72/24/688087224.db2.gz HZNVDNKTJIZGKH-INIZCTEOSA-N 0 0 334.464 2.103 10 10 EECERN CCO[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1OC ZINC000897394754 688771342 /nfs/dbraw/zinc/77/13/42/688771342.db2.gz WHSPGAGLKTXFAM-TURKWSHLSA-N 0 0 337.397 2.235 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC2(CC1)COCCO2 ZINC000899231993 693667474 /nfs/dbraw/zinc/66/74/74/693667474.db2.gz KIHARGOXFYUFEY-UHFFFAOYSA-N 0 0 349.408 2.334 10 10 EECERN CC[C@@](O)(Cn1cc(COc2ccc(N)cc2)nn1)C(F)(F)F ZINC000905828807 1189937576 /nfs/dbraw/zinc/93/75/76/1189937576.db2.gz SPGIFSCUCMCGMQ-CYBMUJFWSA-N 0 0 330.310 2.143 10 10 EECERN C/C=C(/C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486679176 1194162127 /nfs/dbraw/zinc/16/21/27/1194162127.db2.gz LZPJPHNNWBLEBS-YIEGHBELSA-N 0 0 345.403 2.438 10 10 EECERN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](Cc2cncs2)C1=O ZINC000871897513 1197959940 /nfs/dbraw/zinc/95/99/40/1197959940.db2.gz JKTBRGMLXNJXLM-XHDPSFHLSA-N 0 0 344.440 2.433 10 10 EECERN Cc1ncc(NCc2ccc(N3CCOCC3)c(F)c2)cc1C(N)=O ZINC000865296526 1198155966 /nfs/dbraw/zinc/15/59/66/1198155966.db2.gz YUYMPGBPAOPLER-UHFFFAOYSA-N 0 0 344.390 2.077 10 10 EECERN O=C(COc1ccc(Br)cn1)NCc1ccccc1O ZINC001545681987 1198863178 /nfs/dbraw/zinc/86/31/78/1198863178.db2.gz MFNHQTWWUZRFGE-UHFFFAOYSA-N 0 0 337.173 2.245 10 10 EECERN CCOC(=O)[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1C(F)(F)F ZINC000874906516 1199067649 /nfs/dbraw/zinc/06/76/49/1199067649.db2.gz ZAFPBLQUZIRYCW-RKDXNWHRSA-N 0 0 337.319 2.267 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2nncn2CC1 ZINC000878008142 1200210629 /nfs/dbraw/zinc/21/06/29/1200210629.db2.gz BKWMOSCVXXGATJ-MRXNPFEDSA-N 0 0 341.459 2.345 10 10 EECERN COc1ccc(N2CCN(C(=O)C3(CCF)CC3)CC2)c(OC)c1 ZINC000870165643 1200529972 /nfs/dbraw/zinc/52/99/72/1200529972.db2.gz HSGXQYVCIXARML-UHFFFAOYSA-N 0 0 336.407 2.492 10 10 EECERN Cc1ccc(C(=O)N2CCc3nnn(C4CC(C)C4)c3C2)c(O)c1O ZINC000870736540 1200842009 /nfs/dbraw/zinc/84/20/09/1200842009.db2.gz DDSFBOIPNZRBQX-UHFFFAOYSA-N 0 0 342.399 2.167 10 10 EECERN Cc1cc(C2(C(=O)N3Cc4cccc(O)c4C3)CCOCC2)on1 ZINC000871206837 1201099186 /nfs/dbraw/zinc/09/91/86/1201099186.db2.gz FZLZOTVFZMNKCJ-UHFFFAOYSA-N 0 0 328.368 2.279 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000866227282 1201470743 /nfs/dbraw/zinc/47/07/43/1201470743.db2.gz YERDSQZTQBILAR-VUDGCMKMSA-N 0 0 334.372 2.378 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2(CC3CC3)CC2)c1 ZINC000881518294 1201713208 /nfs/dbraw/zinc/71/32/08/1201713208.db2.gz KSEVIVUOPLGBQT-UHFFFAOYSA-N 0 0 338.429 2.074 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N[C@@H](CSC)C2=O)cc1F ZINC000924601933 1206002557 /nfs/dbraw/zinc/00/25/57/1206002557.db2.gz SVZMBWWOBUDLSH-ZDUSSCGKSA-N 0 0 339.436 2.455 10 10 EECERN Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCc1c(O)cccc1F ZINC000931139007 1206609981 /nfs/dbraw/zinc/60/99/81/1206609981.db2.gz UCCQUZIBQKSAEP-AWEZNQCLSA-N 0 0 334.351 2.438 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1cscn1 ZINC000827694284 1248649889 /nfs/dbraw/zinc/64/98/89/1248649889.db2.gz CFCFKBNWQGJBGB-GFCCVEGCSA-N 0 0 339.486 2.427 10 10 EECERN COc1cccc(CNC(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)c1O ZINC001137473462 1248678105 /nfs/dbraw/zinc/67/81/05/1248678105.db2.gz KESNXVAKGKVRKK-CYBMUJFWSA-N 0 0 344.342 2.282 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)c2ccccc2OC)c1 ZINC000901127960 1235257110 /nfs/dbraw/zinc/25/71/10/1235257110.db2.gz QQOUQGRHFBSFKP-GTNSWQLSSA-N 0 0 331.368 2.320 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C/c1cccc2c1CCOC2 ZINC000901444053 1235808805 /nfs/dbraw/zinc/80/88/05/1235808805.db2.gz SZXQRZJVBAUYOJ-XNTDXEJSSA-N 0 0 330.409 2.062 10 10 EECERN CC(C)[C@@H](C)CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000803687352 1241334723 /nfs/dbraw/zinc/33/47/23/1241334723.db2.gz CGVAJSKKGOAJGG-AWEZNQCLSA-N 0 0 331.460 2.094 10 10 EECERN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1-c1ccon1 ZINC001137443234 1248445978 /nfs/dbraw/zinc/44/59/78/1248445978.db2.gz HPXMVRHWGSLIMD-UHFFFAOYSA-N 0 0 327.340 2.423 10 10 EECERN COC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])C1CCOCC1 ZINC000850494202 1277245820 /nfs/dbraw/zinc/24/58/20/1277245820.db2.gz OSYFVHOTEOTLAG-BLLLJJGKSA-N 0 0 337.416 2.271 10 10 EECERN COCCCCN(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852448947 1292116520 /nfs/dbraw/zinc/11/65/20/1292116520.db2.gz OEKUQRXPYFIQMF-HNNXBMFYSA-N 0 0 335.448 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CO)CC(C)(C)C)C2)cc1 ZINC000852455194 1292118417 /nfs/dbraw/zinc/11/84/17/1292118417.db2.gz RYGVTVNYDWHKBV-CABCVRRESA-N 0 0 349.475 2.370 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](O)C(F)(F)C2)cc1 ZINC000853456705 1292388478 /nfs/dbraw/zinc/38/84/78/1292388478.db2.gz OCFXLXAFKZQLOQ-HNNXBMFYSA-N 0 0 341.402 2.444 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc(OC)nc3)C2)cc1 ZINC000853817219 1292468878 /nfs/dbraw/zinc/46/88/78/1292468878.db2.gz AJLRDEVDWBPFRI-AWEZNQCLSA-N 0 0 342.399 2.499 10 10 EECERN CCCNC(=O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854288273 1292704442 /nfs/dbraw/zinc/70/44/42/1292704442.db2.gz ACNGTLOZTTVKLB-UHFFFAOYSA-N 0 0 327.428 2.279 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(C[C@H](C)O)C(C)C)C2)cc1 ZINC000854299446 1292710994 /nfs/dbraw/zinc/71/09/94/1292710994.db2.gz JCWXDSVIVYTVDX-LSDHHAIUSA-N 0 0 335.448 2.075 10 10 EECERN CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854303405 1292713207 /nfs/dbraw/zinc/71/32/07/1292713207.db2.gz WJBMVLGKXODALV-OWCLPIDISA-N 0 0 347.459 2.483 10 10 EECERN CO[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1 ZINC000854949880 1292999169 /nfs/dbraw/zinc/99/91/69/1292999169.db2.gz YXMCAMQWBSYHDX-HFTRVMKXSA-N 0 0 334.460 2.160 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3ccnc(C)n3)C2)cc1 ZINC000855224277 1293116532 /nfs/dbraw/zinc/11/65/32/1293116532.db2.gz DZGFRJKLOSCYEM-INIZCTEOSA-N 0 0 340.427 2.121 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ncccc3F)C2)cc1 ZINC000855226553 1293118429 /nfs/dbraw/zinc/11/84/29/1293118429.db2.gz QPCXSVFNZAQYIT-ZDUSSCGKSA-N 0 0 329.375 2.167 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)[C@H](O)c3ccccc3)C2)cc1 ZINC000855229937 1293120629 /nfs/dbraw/zinc/12/06/29/1293120629.db2.gz CYHVGEZJWOCQEM-MAUKXSAKSA-N 0 0 326.396 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(OC)c3O)C2)cc1 ZINC000855230841 1293120771 /nfs/dbraw/zinc/12/07/71/1293120771.db2.gz FGFVCPKMBXOCOF-CYBMUJFWSA-N 0 0 342.395 2.418 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)c3ccccc3)C2)cc1 ZINC000855229939 1293120916 /nfs/dbraw/zinc/12/09/16/1293120916.db2.gz CYHVGEZJWOCQEM-QAPCUYQASA-N 0 0 326.396 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3csc4cncn43)C2)cc1 ZINC000855231986 1293121934 /nfs/dbraw/zinc/12/19/34/1293121934.db2.gz PIGHTDDUINNMNH-GFCCVEGCSA-N 0 0 342.424 2.413 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(OC)n3)C2)cc1 ZINC000855234018 1293122883 /nfs/dbraw/zinc/12/28/83/1293122883.db2.gz QTDJXKHXWPMRHR-CYBMUJFWSA-N 0 0 327.384 2.108 10 10 EECERN CO[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000856209498 1293445556 /nfs/dbraw/zinc/44/55/56/1293445556.db2.gz QBJZPCVXGACFDH-LJQANCHMSA-N 0 0 346.471 2.469 10 10 EECERN C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@](C)(C(F)F)O1 ZINC000856481935 1293542061 /nfs/dbraw/zinc/54/20/61/1293542061.db2.gz DWHHIZBNQRFYFO-FJIZPKQKSA-N 0 0 327.327 2.382 10 10 EECERN COc1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)sn1 ZINC000857302005 1293786768 /nfs/dbraw/zinc/78/67/68/1293786768.db2.gz CQUZDFJJGGRORH-NSHDSACASA-N 0 0 333.413 2.169 10 10 EECERN CCO[C@@]1(C)C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000858783861 1294222375 /nfs/dbraw/zinc/22/23/75/1294222375.db2.gz KYENLYFSKNRLOX-MJGOQNOKSA-N 0 0 347.459 2.232 10 10 EECERN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccnn1 ZINC000859099027 1294316982 /nfs/dbraw/zinc/31/69/82/1294316982.db2.gz UIECWWNDJKTLPW-UHFFFAOYSA-N 0 0 348.353 2.477 10 10 EECERN COc1ccc(CNC(=O)[C@H]2COc3cc(F)ccc3C2)c(O)c1 ZINC000861490580 1295423398 /nfs/dbraw/zinc/42/33/98/1295423398.db2.gz WZDJLSQBTIHAOM-CYBMUJFWSA-N 0 0 331.343 2.407 10 10 EECERN Cc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)c1 ZINC000862024762 1295659479 /nfs/dbraw/zinc/65/94/79/1295659479.db2.gz GICIKFHHHQCBES-UHFFFAOYSA-N 0 0 342.395 2.183 10 10 EECERN COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1ccc(N(C)C)c(F)c1 ZINC000862516405 1295864315 /nfs/dbraw/zinc/86/43/15/1295864315.db2.gz QPLURXLWMLSLIS-HOCLYGCPSA-N 0 0 338.423 2.340 10 10 EECERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862759242 1295953256 /nfs/dbraw/zinc/95/32/56/1295953256.db2.gz YXEJBMMICXGADU-TZMCWYRMSA-N 0 0 336.457 2.264 10 10 EECERN CC(C)(C)OC(=O)NCCCOCCNC(=O)C1=CC(=O)CS1 ZINC000863033380 1296088896 /nfs/dbraw/zinc/08/88/96/1296088896.db2.gz IQKONAWKFVZCET-UHFFFAOYSA-N 0 0 344.433 2.115 10 10 EECERN CN(C)[C@@H](CCNC(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000926810073 1296931466 /nfs/dbraw/zinc/93/14/66/1296931466.db2.gz ACQTVOIBJHADOS-ZDUSSCGKSA-N 0 0 333.354 2.416 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CNC(=O)C1 ZINC000926995153 1296983691 /nfs/dbraw/zinc/98/36/91/1296983691.db2.gz XXIPBPHUKWKWIB-CQSZACIVSA-N 0 0 333.432 2.230 10 10 EECERN CC(=O)c1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1O ZINC001138152880 1314557969 /nfs/dbraw/zinc/55/79/69/1314557969.db2.gz RRDJPICXJMKJRB-SNVBAGLBSA-N 0 0 329.352 2.367 10 10 EECERN CONC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC001141423196 1315142647 /nfs/dbraw/zinc/14/26/47/1315142647.db2.gz NPDFSYWWFBWCRK-DHZHZOJOSA-N 0 0 340.401 2.095 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cn(CC2CC2)nn1 ZINC000839921647 1315259494 /nfs/dbraw/zinc/25/94/94/1315259494.db2.gz HWPPLFJROZRQMI-CQSZACIVSA-N 0 0 341.459 2.424 10 10 EECERN CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001142423145 1315602562 /nfs/dbraw/zinc/60/25/62/1315602562.db2.gz VOGIUNYXZRYRQE-KBRIMQKVSA-N 0 0 332.444 2.307 10 10 EECERN Cn1cc(CNC(=O)NCCc2ccc(N)cc2)c(C(F)(F)F)n1 ZINC000841864295 1315626340 /nfs/dbraw/zinc/62/63/40/1315626340.db2.gz WUSHBDVKODFTEQ-UHFFFAOYSA-N 0 0 341.337 2.063 10 10 EECERN CC1(C)OCC[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842251281 1315679970 /nfs/dbraw/zinc/67/99/70/1315679970.db2.gz ORSFDMYJQSAQST-CYBMUJFWSA-N 0 0 338.791 2.377 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001142728438 1315717722 /nfs/dbraw/zinc/71/77/22/1315717722.db2.gz TZUGWGPZWQBIOE-INIZCTEOSA-N 0 0 348.358 2.338 10 10 EECERN CCc1nnc(N2CCOC[C@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001293168781 1328625619 /nfs/dbraw/zinc/62/56/19/1328625619.db2.gz YSAKDQWEPGXNSR-OAHLLOKOSA-N 0 0 343.475 2.488 10 10 EECERN COc1cccc(C(=O)NCC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001151886163 1316602764 /nfs/dbraw/zinc/60/27/64/1316602764.db2.gz XYYXTKCBGIONML-GFCCVEGCSA-N 0 0 328.368 2.008 10 10 EECERN COC(=O)c1ccc2c(c1)N(C(=O)c1cccc(O)c1O)CCC2 ZINC001153776449 1316879732 /nfs/dbraw/zinc/87/97/32/1316879732.db2.gz DEWPPNNHLAJYLQ-UHFFFAOYSA-N 0 0 327.336 2.477 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(F)c1-c1nc[nH]n1 ZINC001156032371 1317841543 /nfs/dbraw/zinc/84/15/43/1317841543.db2.gz BGBYSEYSSVAILC-UHFFFAOYSA-N 0 0 328.303 2.203 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)c2ccc(F)cc2)cc1 ZINC001156189685 1317913989 /nfs/dbraw/zinc/91/39/89/1317913989.db2.gz CVKWLPUHLFGADW-CQSZACIVSA-N 0 0 330.319 2.452 10 10 EECERN CC(C)(C)c1noc(CCCC(=O)NCc2c(O)cccc2O)n1 ZINC001156881196 1318257449 /nfs/dbraw/zinc/25/74/49/1318257449.db2.gz UHXOLIPIWUPKBV-UHFFFAOYSA-N 0 0 333.388 2.417 10 10 EECERN COc1ccc(C(=O)CCC(=O)NCc2ccc(O)cc2O)cc1 ZINC001162278810 1320803903 /nfs/dbraw/zinc/80/39/03/1320803903.db2.gz NAWXNHKYWOYVCR-UHFFFAOYSA-N 0 0 329.352 2.386 10 10 EECERN CC(C)CC(=O)NC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285579195 1327059637 /nfs/dbraw/zinc/05/96/37/1327059637.db2.gz QUYUGWZRKHWSEA-LBPRGKRZSA-N 0 0 347.419 2.472 10 10 EECERN Cc1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001290846651 1328285640 /nfs/dbraw/zinc/28/56/40/1328285640.db2.gz GOMDAMQKHLTGLO-ZDUSSCGKSA-N 0 0 347.438 2.455 10 10 EECERN Cn1cc(C(=O)NCc2cccc(Br)c2O)cc1C=O ZINC001297438813 1329972117 /nfs/dbraw/zinc/97/21/17/1329972117.db2.gz DQSNBBRSGBKOGY-UHFFFAOYSA-N 0 0 337.173 2.236 10 10 EECERN COCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001301642501 1331306812 /nfs/dbraw/zinc/30/68/12/1331306812.db2.gz KDRDRIQJJSXGCO-OAHLLOKOSA-N 0 0 346.431 2.161 10 10 EECERN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cc(O)ccc1O ZINC001303225869 1331350616 /nfs/dbraw/zinc/35/06/16/1331350616.db2.gz QAPCUHKQKLHJAX-LLVKDONJSA-N 0 0 338.404 2.360 10 10 EECERN C[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)[C@H]1CC2CCC1CC2 ZINC001328807938 1334526020 /nfs/dbraw/zinc/52/60/20/1334526020.db2.gz OZFASZSAGUPMAJ-VDINOMKWSA-N 0 0 343.471 2.259 10 10 EECERN O=C([O-])[C@H](C[C@H]1CCOC1)[NH2+]Cc1c(O)cccc1Br ZINC001329683504 1334696368 /nfs/dbraw/zinc/69/63/68/1334696368.db2.gz WVNFUTAYZMCOGO-SKDRFNHKSA-N 0 0 344.205 2.124 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001348778939 1337575373 /nfs/dbraw/zinc/57/53/73/1337575373.db2.gz YQDLCKDIQKNXJM-DOPJRALCSA-N 0 0 343.471 2.023 10 10 EECERN CCN(CCNC(=O)CC(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001581033027 1344583092 /nfs/dbraw/zinc/58/30/92/1344583092.db2.gz CORCAUUIBGHJLL-UHFFFAOYSA-N 0 0 347.419 2.473 10 10 EECERN CC(C)C(=O)NC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001678086189 1357463828 /nfs/dbraw/zinc/46/38/28/1357463828.db2.gz ZEYGSSIESRPXGE-LLVKDONJSA-N 0 0 333.392 2.082 10 10 EECERN Cc1cc(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC001595949876 1349899292 /nfs/dbraw/zinc/89/92/92/1349899292.db2.gz JPIHWFSDDSNWIX-IAGOWNOFSA-N 0 0 327.384 2.418 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)NCc1nc2ccccc2c(=O)[nH]1 ZINC001625551426 1352451460 /nfs/dbraw/zinc/45/14/60/1352451460.db2.gz TWIMOMQKQMNSSI-SOFGYWHQSA-N 0 0 337.335 2.076 10 10 EECERN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC001626838092 1352474957 /nfs/dbraw/zinc/47/49/57/1352474957.db2.gz NMFSUTJTUVNBRM-GHMZBOCLSA-N 0 0 338.404 2.263 10 10 EECERN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C1=CC(=O)CS1 ZINC001629930505 1352560661 /nfs/dbraw/zinc/56/06/61/1352560661.db2.gz LULYEDIIIUQATM-UHFFFAOYSA-N 0 0 329.374 2.390 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]12 ZINC001632268096 1352595192 /nfs/dbraw/zinc/59/51/92/1352595192.db2.gz KODCDKBIXVQWTK-RRFJBIMHSA-N 0 0 347.411 2.221 10 10 EECERN C[C@H](NC(=O)N(C)C1CCS(=O)CC1)c1ccc(N(C)C)cc1 ZINC001634434714 1352628452 /nfs/dbraw/zinc/62/84/52/1352628452.db2.gz FOQZKMNVLJMKFA-WKMHOFEVSA-N 0 0 337.489 2.366 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001638243765 1352686053 /nfs/dbraw/zinc/68/60/53/1352686053.db2.gz NCRUGCBSFHIYCH-OXJNMPFZSA-N 0 0 339.391 2.067 10 10 EECERN O=C(CCc1cn[nH]n1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638272852 1352686645 /nfs/dbraw/zinc/68/66/45/1352686645.db2.gz FZNGDGOPRMGARX-UHFFFAOYSA-N 0 0 333.355 2.086 10 10 EECERN O=C(/C=C/Cn1cncn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638272880 1352686683 /nfs/dbraw/zinc/68/66/83/1352686683.db2.gz GXYOOEDAVVZNML-VMPITWQZSA-N 0 0 345.366 2.183 10 10 EECERN Cc1cc(-c2nc(C(=O)NCc3ccc(O)cc3O)co2)ccn1 ZINC001638352995 1352687659 /nfs/dbraw/zinc/68/76/59/1352687659.db2.gz YNNZLUMQIKFFFO-UHFFFAOYSA-N 0 0 325.324 2.386 10 10 EECERN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1c(O)cccc1O ZINC001645363541 1352777210 /nfs/dbraw/zinc/77/72/10/1352777210.db2.gz ZOTLCGGNBLXRDM-NSHDSACASA-N 0 0 338.404 2.360 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1[C@@H]1CCC(=O)N1 ZINC001647994311 1353412860 /nfs/dbraw/zinc/41/28/60/1353412860.db2.gz KOEVEONHUFMTNA-AWEZNQCLSA-N 0 0 326.352 2.230 10 10 EECERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001141833916 782463457 /nfs/dbraw/zinc/46/34/57/782463457.db2.gz VUQJOODUANTHAC-BDAKNGLRSA-N 0 0 334.397 2.039 10 10 EECERN COC(=O)N[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000228354127 790504704 /nfs/dbraw/zinc/50/47/04/790504704.db2.gz IVPGFAVVIXDHLQ-NSHDSACASA-N 0 0 329.194 2.085 10 10 EECERN CN(C)c1ccc(CN(C(=O)CC2(O)CCOCC2)C2CC2)cc1 ZINC000905958706 783611341 /nfs/dbraw/zinc/61/13/41/783611341.db2.gz SVCLOKFNCZPKJA-UHFFFAOYSA-N 0 0 332.444 2.175 10 10 EECERN COC(=O)c1nc(C(=O)NCc2ccc3c(c2)CCCN3C)cs1 ZINC000906455170 783926546 /nfs/dbraw/zinc/92/65/46/783926546.db2.gz MSIYBXDQSSLNTC-UHFFFAOYSA-N 0 0 345.424 2.242 10 10 EECERN Cc1cc(=O)[nH]c(C(=O)NCc2cccc(Br)c2O)c1 ZINC000816496843 784058430 /nfs/dbraw/zinc/05/84/30/784058430.db2.gz ZLRYEHZSOVHFFK-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN Cc1cc(C(=O)NC2COCCOC2)c(C)n1-c1ccc(F)cc1 ZINC000816922157 784335913 /nfs/dbraw/zinc/33/59/13/784335913.db2.gz SGUQNFUICKYBGW-UHFFFAOYSA-N 0 0 332.375 2.378 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(c3ccccn3)=NO2)c1 ZINC000907059884 784358009 /nfs/dbraw/zinc/35/80/09/784358009.db2.gz IWRHDGHBEGICOI-PIGZYNQJSA-N 0 0 341.367 2.166 10 10 EECERN C[C@H](NC(=O)c1nnn(C)c1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000907493821 784675896 /nfs/dbraw/zinc/67/58/96/784675896.db2.gz UNBKHPCZPMAXAT-VIFPVBQESA-N 0 0 341.337 2.391 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)c3ccnn3C)C2)cc1 ZINC000819587209 785596908 /nfs/dbraw/zinc/59/69/08/785596908.db2.gz IEWKPINGHUBEPB-LSDHHAIUSA-N 0 0 342.443 2.175 10 10 EECERN CN(C)S(=O)(=O)c1ccc(COC(=O)C2=CC(=O)CS2)s1 ZINC000820362683 785903295 /nfs/dbraw/zinc/90/32/95/785903295.db2.gz GRHVCPKGFSUTNY-UHFFFAOYSA-N 0 0 347.439 2.123 10 10 EECERN CCc1cc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n(C)n1 ZINC000821113127 786603616 /nfs/dbraw/zinc/60/36/16/786603616.db2.gz HZFLIWGOXSAHRJ-AWEZNQCLSA-N 0 0 343.431 2.392 10 10 EECERN CCN(CC)c1ccc(CNC(=O)COCc2nccn2C)cc1 ZINC000822608739 787285289 /nfs/dbraw/zinc/28/52/89/787285289.db2.gz XOHJLTSKFURXNP-UHFFFAOYSA-N 0 0 330.432 2.099 10 10 EECERN CN1CCC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1=O ZINC000822819739 787404502 /nfs/dbraw/zinc/40/45/02/787404502.db2.gz ZBERNHKWGFUSBF-QGZVFWFLSA-N 0 0 329.444 2.162 10 10 EECERN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)cc2)C1 ZINC000822936689 787469603 /nfs/dbraw/zinc/46/96/03/787469603.db2.gz CKOBFTMEHYFOPP-NCOADZHNSA-N 0 0 341.455 2.051 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CCOC3(C)C)C2)cc1 ZINC000823661582 787858883 /nfs/dbraw/zinc/85/88/83/787858883.db2.gz YXXJXRUWDQONFN-WMLDXEAASA-N 0 0 347.459 2.388 10 10 EECERN C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc(Br)c1[O-] ZINC000825130387 788450184 /nfs/dbraw/zinc/45/01/84/788450184.db2.gz XDVBQTQIDXJZNA-GXFFZTMASA-N 0 0 330.222 2.126 10 10 EECERN CN(C)c1ccc(CNS(=O)(=O)c2ccnn2C2CCC2)cc1 ZINC000913862475 794414551 /nfs/dbraw/zinc/41/45/51/794414551.db2.gz NRTFULRVXNHIHP-UHFFFAOYSA-N 0 0 334.445 2.153 10 10 EECERN CC(=O)N/C(=C\c1cccs1)C(=O)N1Cc2cccc(O)c2C1 ZINC001175037068 797972765 /nfs/dbraw/zinc/97/27/65/797972765.db2.gz BNUXLBVJTLSBID-NVNXTCNLSA-N 0 0 328.393 2.473 10 10 EECERN Cc1cc(C(=O)CN2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC000103470749 804221560 /nfs/dbraw/zinc/22/15/60/804221560.db2.gz QAEBFILKMMZBOM-UHFFFAOYSA-N 0 0 325.412 2.099 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C2(C(=O)N(C)C)CC2)cc1F ZINC000791361668 809212889 /nfs/dbraw/zinc/21/28/89/809212889.db2.gz VYDDVKXRFDFUOU-UHFFFAOYSA-N 0 0 335.423 2.157 10 10 EECERN CC(C)Oc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1 ZINC000794311128 810760930 /nfs/dbraw/zinc/76/09/30/810760930.db2.gz DHKKJUJESVVXFA-NSHDSACASA-N 0 0 346.387 2.428 10 10 EECERN COc1ccc(CNC(=O)CSCC(=O)OC(C)(C)C)c(O)c1 ZINC000794388122 810810036 /nfs/dbraw/zinc/81/00/36/810810036.db2.gz PXOOYEYGPLXZHY-UHFFFAOYSA-N 0 0 341.429 2.092 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn2ccc(C)nc12 ZINC000808095449 812454859 /nfs/dbraw/zinc/45/48/59/812454859.db2.gz FYMBIZPOOYDFFB-UHFFFAOYSA-N 0 0 331.372 2.159 10 10 EECERN CCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccc(Cl)cc1 ZINC000808537599 812708959 /nfs/dbraw/zinc/70/89/59/812708959.db2.gz AHRZNJLKEFQRCD-UHFFFAOYSA-N 0 0 334.759 2.403 10 10 EECERN CO[C@@H](C)[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805325298 812875923 /nfs/dbraw/zinc/87/59/23/812875923.db2.gz QIZZNDDHAPAUMJ-IUCAKERBSA-N 0 0 331.210 2.377 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)c1cn(-c2cccnc2)nn1 ZINC001566305064 1125594469 /nfs/dbraw/zinc/59/44/69/1125594469.db2.gz HEGUDUGATCBRMN-UHFFFAOYSA-N 0 0 337.383 2.420 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3COC[C@H]3OC)ccc21 ZINC001436621474 1088073677 /nfs/dbraw/zinc/07/36/77/1088073677.db2.gz RMQLVMCUJFOZHR-FUHWJXTLSA-N 0 0 346.427 2.048 10 10 EECERN Nc1c(Br)cccc1C(=O)NCc1ccc(O)c(O)c1 ZINC001445904104 1091830171 /nfs/dbraw/zinc/83/01/71/1091830171.db2.gz VVCBLTXDPAVNDZ-UHFFFAOYSA-N 0 0 337.173 2.373 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(Cn2ccnn2)o1 ZINC001449124595 1094119166 /nfs/dbraw/zinc/11/91/66/1094119166.db2.gz RFJOZEKAHSLFCJ-UHFFFAOYSA-N 0 0 347.371 2.041 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC001452030611 1098133825 /nfs/dbraw/zinc/13/38/25/1098133825.db2.gz NBFHXKGKHTUAII-GOSISDBHSA-N 0 0 331.412 2.448 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001452518200 1105535895 /nfs/dbraw/zinc/53/58/95/1105535895.db2.gz CCOAHNSDZUZOJB-UPJWGTAASA-N 0 0 347.419 2.077 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001456326216 1109143985 /nfs/dbraw/zinc/14/39/85/1109143985.db2.gz WYBQMSCXJRABHS-UHFFFAOYSA-N 0 0 339.351 2.418 10 10 EECERN COCCOC[C@@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC001458232031 1109846847 /nfs/dbraw/zinc/84/68/47/1109846847.db2.gz SRPKXTLCAHWENO-GFCCVEGCSA-N 0 0 340.376 2.101 10 10 EECERN CN1CCCc2cc(CNC(=O)/C=C\[C@H]3COC(C)(C)O3)ccc21 ZINC001464517341 1110396177 /nfs/dbraw/zinc/39/61/77/1110396177.db2.gz BDIILAVSGJGRDO-GQSKFBFOSA-N 0 0 330.428 2.393 10 10 EECERN COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001465725732 1110422907 /nfs/dbraw/zinc/42/29/07/1110422907.db2.gz APCTUAATUYQTNW-KPZWWZAWSA-N 0 0 343.379 2.307 10 10 EECERN COC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1OC ZINC001467694406 1110462018 /nfs/dbraw/zinc/46/20/18/1110462018.db2.gz TWQSUHAHTKIVME-UHFFFAOYSA-N 0 0 331.324 2.074 10 10 EECERN CCC1(CC)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[S@]1=O ZINC000183849519 781935358 /nfs/dbraw/zinc/93/53/58/781935358.db2.gz HULJISYJUXIWDR-AVAOGFIGSA-N 0 0 337.441 2.261 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1F ZINC000121733176 463186069 /nfs/dbraw/zinc/18/60/69/463186069.db2.gz OYSXSXWZCCRFBW-RDJZCZTQSA-N 0 0 336.407 2.441 10 10 EECERN Cc1cnc(CCN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)s1 ZINC000166056874 463651499 /nfs/dbraw/zinc/65/14/99/463651499.db2.gz AEIVFIHEQDZYPX-UHFFFAOYSA-N 0 0 348.384 2.370 10 10 EECERN Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c(O)c1O ZINC000278199992 463958005 /nfs/dbraw/zinc/95/80/05/463958005.db2.gz CLCLJMSSFBPWMG-LBPRGKRZSA-N 0 0 329.278 2.173 10 10 EECERN CCN(CC)c1ccc(CNS(=O)(=O)CC(C)(C)OC)cc1 ZINC000289596555 464086718 /nfs/dbraw/zinc/08/67/18/464086718.db2.gz WHDSFKQVFMWXER-UHFFFAOYSA-N 0 0 328.478 2.377 10 10 EECERN COc1cccc(N2CC[C@@H](CNC(=O)Cc3ccc(N)cc3)C2)c1 ZINC000237462389 464324418 /nfs/dbraw/zinc/32/44/18/464324418.db2.gz FIXCDAPURDEZBV-INIZCTEOSA-N 0 0 339.439 2.463 10 10 EECERN Cn1nccc1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181106896 464446842 /nfs/dbraw/zinc/44/68/42/464446842.db2.gz LOYJMVGXZDOCMG-HWKANZROSA-N 0 0 327.384 2.251 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000272296614 464552922 /nfs/dbraw/zinc/55/29/22/464552922.db2.gz HXPXMLNDEMEKPT-KBPBESRZSA-N 0 0 341.363 2.289 10 10 EECERN CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000294737400 464590729 /nfs/dbraw/zinc/59/07/29/464590729.db2.gz NZBXJXNBOHBRMG-FUHWJXTLSA-N 0 0 332.444 2.127 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](C2CC2)C1 ZINC000368786152 466698136 /nfs/dbraw/zinc/69/81/36/466698136.db2.gz IONOIJUVEINQHK-GOSISDBHSA-N 0 0 327.428 2.383 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCOCC1 ZINC000373264822 466747841 /nfs/dbraw/zinc/74/78/41/466747841.db2.gz RIPMUUDSAGINBT-GOSISDBHSA-N 0 0 346.471 2.328 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N[C@](C)(CO)COC)ccc21 ZINC000681074632 486130868 /nfs/dbraw/zinc/13/08/68/486130868.db2.gz SVWNBCGMSDYOKI-LJQANCHMSA-N 0 0 348.443 2.032 10 10 EECERN Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000772908023 577305368 /nfs/dbraw/zinc/30/53/68/577305368.db2.gz BGBBYCULLXVLBJ-UHFFFAOYSA-N 0 0 343.387 2.249 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C2CN(CC(F)(F)F)C2)cc1 ZINC000776316209 577457613 /nfs/dbraw/zinc/45/76/13/577457613.db2.gz GEENHHYONVBGRQ-UHFFFAOYSA-N 0 0 329.366 2.205 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CC(=O)N(C)C3)ccc21 ZINC000764733041 577487635 /nfs/dbraw/zinc/48/76/35/577487635.db2.gz RHFBSEDHSNTPCE-OAHLLOKOSA-N 0 0 344.411 2.292 10 10 EECERN OCc1nnc2n1CCN(Cc1cc(-c3ccccc3)ccc1O)C2 ZINC000769517025 577579578 /nfs/dbraw/zinc/57/95/78/577579578.db2.gz NDOQMWMDEGBNCN-UHFFFAOYSA-N 0 0 336.395 2.159 10 10 EECERN COCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000763326867 577719234 /nfs/dbraw/zinc/71/92/34/577719234.db2.gz GPNPQGHOIVKZER-UHFFFAOYSA-N 0 0 334.445 2.158 10 10 EECERN COc1ccc(N(C)C[C@H](O)COc2ccc3c(c2)OCO3)cc1F ZINC000757851417 577865610 /nfs/dbraw/zinc/86/56/10/577865610.db2.gz IEVKBIGUISFHDB-ZDUSSCGKSA-N 0 0 349.358 2.439 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)C1CCOCC1 ZINC000742246232 577869973 /nfs/dbraw/zinc/86/99/73/577869973.db2.gz WDZFLTNWHDLZKZ-SFHVURJKSA-N 0 0 334.460 2.277 10 10 EECERN Cc1cc(C(=O)NC[C@H](O)C(F)(F)F)c(C)n1-c1ccccn1 ZINC000748405265 577961130 /nfs/dbraw/zinc/96/11/30/577961130.db2.gz KTCCPDSHOZNJIP-LBPRGKRZSA-N 0 0 327.306 2.142 10 10 EECERN CCOC(=O)CN(CC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000749175834 577972157 /nfs/dbraw/zinc/97/21/57/577972157.db2.gz DIYQIBZELXJCIA-VQHVLOKHSA-N 0 0 336.344 2.170 10 10 EECERN COc1cccc(C(=O)NCc2cc(Br)ccc2O)n1 ZINC000804737755 675610775 /nfs/dbraw/zinc/61/07/75/675610775.db2.gz PQZDJDHBCBTKOQ-UHFFFAOYSA-N 0 0 337.173 2.488 10 10 EECERN NC(=O)C1CCN(c2ccc(CNC(=O)C3(CCF)CC3)cc2)CC1 ZINC000894593033 682989215 /nfs/dbraw/zinc/98/92/15/682989215.db2.gz PNVXLYBPLBPPRD-UHFFFAOYSA-N 0 0 347.434 2.144 10 10 EECERN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894596412 682989969 /nfs/dbraw/zinc/98/99/69/682989969.db2.gz YRYLLYWASIJXHU-ROUUACIJSA-N 0 0 343.471 2.297 10 10 EECERN COC(=O)c1c(CN(CCO)CC(F)F)c2cc(F)ccc2n1C ZINC000894613903 682995409 /nfs/dbraw/zinc/99/54/09/682995409.db2.gz JEDFVQGBXJFXMP-UHFFFAOYSA-N 0 0 344.333 2.163 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3ccnc(C#N)c3)CC2)cc1 ZINC000192814026 684804181 /nfs/dbraw/zinc/80/41/81/684804181.db2.gz DUIYAWJFYWTODQ-UHFFFAOYSA-N 0 0 336.395 2.314 10 10 EECERN COc1ccc(N2CCC(NC(=O)[C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000194265981 684926902 /nfs/dbraw/zinc/92/69/02/684926902.db2.gz BPSIJOLKNWCXKZ-KBXCAEBGSA-N 0 0 332.444 2.453 10 10 EECERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896428982 684980521 /nfs/dbraw/zinc/98/05/21/684980521.db2.gz JCMFDCPOTJROTK-NSHDSACASA-N 0 0 346.408 2.196 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NCC1CSC1 ZINC000923827376 692847567 /nfs/dbraw/zinc/84/75/67/692847567.db2.gz JXSNWDCXRKAPJX-UHFFFAOYSA-N 0 0 331.235 2.317 10 10 EECERN COC(=O)N(C)CCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898787021 693456781 /nfs/dbraw/zinc/45/67/81/693456781.db2.gz QNOFTHUFTRRQFW-UHFFFAOYSA-N 0 0 338.385 2.083 10 10 EECERN CCCCC(=O)NCC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001745945598 1186838157 /nfs/dbraw/zinc/83/81/57/1186838157.db2.gz OGMAZRQPEIJINM-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN COc1cc(C(=O)NCCc2ccc(O)c(O)c2)cc(Cl)c1O ZINC000785416442 1188392337 /nfs/dbraw/zinc/39/23/37/1188392337.db2.gz SOBDTTKAKSDXRW-UHFFFAOYSA-N 0 0 337.759 2.438 10 10 EECERN O=C(c1cccc(O)c1O)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000871421859 1197724832 /nfs/dbraw/zinc/72/48/32/1197724832.db2.gz WCALFLYCYUJZHT-CYBMUJFWSA-N 0 0 325.368 2.118 10 10 EECERN C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)[C@@H](C)O1 ZINC000865315623 1198165801 /nfs/dbraw/zinc/16/58/01/1198165801.db2.gz PCHNONSJCOKMDS-GIPNMCIBSA-N 0 0 338.791 2.376 10 10 EECERN COc1ccc(N2CCN(c3nc4cnccc4n3C)CC2)cc1F ZINC000865601488 1198293926 /nfs/dbraw/zinc/29/39/26/1198293926.db2.gz VCFKKLMJSGKSGB-UHFFFAOYSA-N 0 0 341.390 2.443 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3nc([C@@H]4C[C@H]4C)no3)C2)cc1 ZINC000866018640 1198456356 /nfs/dbraw/zinc/45/63/56/1198456356.db2.gz LZPGCNLKBYQJEK-TYNCELHUSA-N 0 0 342.399 2.210 10 10 EECERN CC[C@@H]1CCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000813593569 1199102824 /nfs/dbraw/zinc/10/28/24/1199102824.db2.gz BSPQAHJQULLRBM-JKSUJKDBSA-N 0 0 344.459 2.082 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000875714700 1199358755 /nfs/dbraw/zinc/35/87/55/1199358755.db2.gz CXDAULQRYOQRDA-FHLIZLRMSA-N 0 0 345.443 2.237 10 10 EECERN CC(=O)c1ccc(N(C)C(=O)c2cn(C)nc2-c2cnn(C)c2)cc1 ZINC001132837866 1200078530 /nfs/dbraw/zinc/07/85/30/1200078530.db2.gz RGSPUFNWUQDPFO-UHFFFAOYSA-N 0 0 337.383 2.300 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)cc1F ZINC000866458821 1201522649 /nfs/dbraw/zinc/52/26/49/1201522649.db2.gz BUPWFABMWHEXAL-MJGOQNOKSA-N 0 0 348.418 2.442 10 10 EECERN COc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)n(C)n1 ZINC000881253869 1201666230 /nfs/dbraw/zinc/66/62/30/1201666230.db2.gz UDBKFVLVILAQSE-UHFFFAOYSA-N 0 0 329.404 2.351 10 10 EECERN Cc1nn(C)c(S(=O)(=O)N[C@H](C)c2ccccc2O)c1C(F)F ZINC000867834496 1201690427 /nfs/dbraw/zinc/69/04/27/1201690427.db2.gz JZFOZCBJQWUYJN-MRVPVSSYSA-N 0 0 345.371 2.411 10 10 EECERN C[C@H](NC(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccccc1O ZINC000868024221 1201729021 /nfs/dbraw/zinc/72/90/21/1201729021.db2.gz JNMFQOYJXWSGGT-LBPRGKRZSA-N 0 0 331.416 2.153 10 10 EECERN C[C@H](NC(=O)N[C@H]1CCO[C@H](c2nccn2C)C1)c1ccccc1O ZINC000868689738 1201859795 /nfs/dbraw/zinc/85/97/95/1201859795.db2.gz SBYGPTUGGPHZIF-XEZPLFJOSA-N 0 0 344.415 2.406 10 10 EECERN CN(Cc1ccc(N2CCCCC2)cc1)c1cncc(OCCO)n1 ZINC000131006043 1202014538 /nfs/dbraw/zinc/01/45/38/1202014538.db2.gz WLGPOZGVLKTCIU-UHFFFAOYSA-N 0 0 342.443 2.474 10 10 EECERN CCc1cnccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000136607258 1202469433 /nfs/dbraw/zinc/46/94/33/1202469433.db2.gz SNYKEFNCDWNGFV-UHFFFAOYSA-N 0 0 325.412 2.411 10 10 EECERN COc1ccc(N2CC[C@H](N3C(=O)[C@@H]4[C@H]5CC[C@H](C5)N4C3=O)C2)cc1 ZINC000924979658 1206057515 /nfs/dbraw/zinc/05/75/15/1206057515.db2.gz SIGGJBLYEHIEOT-GUSZCTEKSA-N 0 0 341.411 2.089 10 10 EECERN C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925791613 1206154564 /nfs/dbraw/zinc/15/45/64/1206154564.db2.gz MCWUROMFIKRGJO-OLZOCXBDSA-N 0 0 335.404 2.110 10 10 EECERN Oc1ccccc1C[N@H+](C[C@@H](O)CCC1(O)CCC1)C[C@@H]1CCCO1 ZINC000929973295 1206523948 /nfs/dbraw/zinc/52/39/48/1206523948.db2.gz YEKAGJAXIUEOKC-ROUUACIJSA-N 0 0 349.471 2.429 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCCS(=O)(=O)C[C@@H]2C)c1O ZINC000933317659 1207756866 /nfs/dbraw/zinc/75/68/66/1207756866.db2.gz NFTFXYPDMQAPDM-JTQLQIEISA-N 0 0 345.848 2.257 10 10 EECERN COC(=O)CCCCCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195201101 1211338521 /nfs/dbraw/zinc/33/85/21/1211338521.db2.gz VXLKLAOUEKCIAG-UHFFFAOYSA-N 0 0 339.411 2.424 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(O)c1 ZINC000305811715 1217285189 /nfs/dbraw/zinc/28/51/89/1217285189.db2.gz JQEQGBYBIRNOND-UHFFFAOYSA-N 0 0 344.386 2.422 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1F ZINC000803662510 1241193758 /nfs/dbraw/zinc/19/37/58/1241193758.db2.gz CHTDPSHYQKLVGJ-GJZGRUSLSA-N 0 0 347.434 2.157 10 10 EECERN COc1ccc(N2CCN(C(=O)CCc3cc(C)n[nH]3)CC2)cc1 ZINC001137386846 1247888202 /nfs/dbraw/zinc/88/82/02/1247888202.db2.gz PMQDISADICUDAE-UHFFFAOYSA-N 0 0 328.416 2.008 10 10 EECERN C[C@@H](NC(=O)NCC(C)(C)[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000826947971 1248153338 /nfs/dbraw/zinc/15/33/38/1248153338.db2.gz ZVRLLEWOLGVVMF-AUUYWEPGSA-N 0 0 349.475 2.290 10 10 EECERN COc1ccc(CNC(=O)N[C@H]2CCc3cc(N)ccc32)c(O)c1 ZINC000851674905 1277712946 /nfs/dbraw/zinc/71/29/46/1277712946.db2.gz KOQNYWKOXGWMED-INIZCTEOSA-N 0 0 327.384 2.470 10 10 EECERN Cc1cn2cc(CC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)nc2s1 ZINC000867301603 1285497546 /nfs/dbraw/zinc/49/75/46/1285497546.db2.gz BNAVRFRCOQAYHB-JTQLQIEISA-N 0 0 345.424 2.405 10 10 EECERN CC1(C)OCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852005746 1291950089 /nfs/dbraw/zinc/95/00/89/1291950089.db2.gz ZZYLBSUNGJBCDM-MRXNPFEDSA-N 0 0 347.459 2.138 10 10 EECERN COc1ccc(N(Cc2coc(S(N)(=O)=O)c2)CC2CC2)cc1 ZINC000852135488 1292007354 /nfs/dbraw/zinc/00/73/54/1292007354.db2.gz OUSSAZKOWAGQMM-UHFFFAOYSA-N 0 0 336.413 2.352 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccn3C)C2)cc1 ZINC000852160560 1292020467 /nfs/dbraw/zinc/02/04/67/1292020467.db2.gz FKZMAEPXJXLWCK-CQSZACIVSA-N 0 0 328.416 2.112 10 10 EECERN CCOC1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852449594 1292116360 /nfs/dbraw/zinc/11/63/60/1292116360.db2.gz UPYDCTMRVCDMOP-HNNXBMFYSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCSC[C@@H]3C)C2)cc1 ZINC000852452650 1292117766 /nfs/dbraw/zinc/11/77/66/1292117766.db2.gz BURQICWHPDTRSO-UONOGXRCSA-N 0 0 335.473 2.421 10 10 EECERN CCC[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1 ZINC000852454518 1292118589 /nfs/dbraw/zinc/11/85/89/1292118589.db2.gz PGZFGGABWPJUHX-QAPCUYQASA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(O)c(CNC(=O)NCCC2SCCS2)c1 ZINC000853737167 1292442717 /nfs/dbraw/zinc/44/27/17/1292442717.db2.gz DMPCNVZWWJXZII-UHFFFAOYSA-N 0 0 328.459 2.396 10 10 EECERN COC(=O)/C=C\c1ccc(N2C[C@@H](C)C(=O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000853819888 1292470977 /nfs/dbraw/zinc/47/09/77/1292470977.db2.gz DLJVOFCHJDRHKD-LWSHCTJVSA-N 0 0 332.356 2.442 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H]3CCC[C@@H]3O)C2)cc1 ZINC000854299816 1292711010 /nfs/dbraw/zinc/71/10/10/1292711010.db2.gz RUNSQPDEDCWTCH-MPGHIAIKSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3C[C@@H](C)O)C2)cc1 ZINC000854300489 1292711372 /nfs/dbraw/zinc/71/13/72/1292711372.db2.gz UPDLOZKKFRZBCR-VYDXJSESSA-N 0 0 347.459 2.219 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnc(C(C)=O)s3)C2)cc1 ZINC000855223471 1293116369 /nfs/dbraw/zinc/11/63/69/1293116369.db2.gz HLVJWBORGKKXMH-GFCCVEGCSA-N 0 0 345.424 2.363 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3nnc4ccccc4n3)C2)cc1 ZINC000855223325 1293116491 /nfs/dbraw/zinc/11/64/91/1293116491.db2.gz FNLNADGTWQUASQ-CYBMUJFWSA-N 0 0 349.394 2.042 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(O)c(OC)c3)C2)cc1 ZINC000855228258 1293119564 /nfs/dbraw/zinc/11/95/64/1293119564.db2.gz YIEMTLKQTWWNEX-CQSZACIVSA-N 0 0 342.395 2.418 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3c(C)noc3C)C2)cc1 ZINC000855229304 1293121041 /nfs/dbraw/zinc/12/10/41/1293121041.db2.gz MKSYTGROFZKPEL-CQSZACIVSA-N 0 0 329.400 2.238 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3ccncc3)C2)cc1 ZINC000855231355 1293122078 /nfs/dbraw/zinc/12/20/78/1293122078.db2.gz KFLASKRMZCCHOC-MRXNPFEDSA-N 0 0 325.412 2.418 10 10 EECERN CCOc1ncccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231612 1293122125 /nfs/dbraw/zinc/12/21/25/1293122125.db2.gz KHHOYMPELBDMHB-AWEZNQCLSA-N 0 0 341.411 2.498 10 10 EECERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)c(O)c1O ZINC000855870522 1293349838 /nfs/dbraw/zinc/34/98/38/1293349838.db2.gz NXUIWHDSTNTPLW-ZFWWWQNUSA-N 0 0 329.400 2.281 10 10 EECERN CO[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856209571 1293445572 /nfs/dbraw/zinc/44/55/72/1293445572.db2.gz SMMKRYJQWIUGIH-QAPCUYQASA-N 0 0 332.444 2.079 10 10 EECERN COC(=O)C1=CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000858738970 1294207403 /nfs/dbraw/zinc/20/74/03/1294207403.db2.gz JXIIRGHKGUULJZ-INIZCTEOSA-N 0 0 343.427 2.130 10 10 EECERN Cc1cc(CNC(=O)N[C@H]2C[C@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000858770889 1294217557 /nfs/dbraw/zinc/21/75/57/1294217557.db2.gz PWSGVHPOQOBONY-KOMQPUFPSA-N 0 0 340.427 2.157 10 10 EECERN CNc1cnc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000858835130 1294239752 /nfs/dbraw/zinc/23/97/52/1294239752.db2.gz ANBFKAOCOXOGDS-UHFFFAOYSA-N 0 0 325.416 2.439 10 10 EECERN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnn1 ZINC000859675576 1294591586 /nfs/dbraw/zinc/59/15/86/1294591586.db2.gz JYNUFPUUAUTYKJ-GFCCVEGCSA-N 0 0 348.353 2.477 10 10 EECERN Cc1cc(CNC(c2ccnn2C)c2ccnn2C)ccc1N(C)C ZINC000860082557 1294796336 /nfs/dbraw/zinc/79/63/36/1294796336.db2.gz ULHVNPJJLBLGQG-UHFFFAOYSA-N 0 0 338.459 2.407 10 10 EECERN Cc1cc(CNC(=O)C[C@@H](C)NC(N)=O)c(C)n1-c1ccccc1 ZINC000863163839 1296134121 /nfs/dbraw/zinc/13/41/21/1296134121.db2.gz QKDFOONFXDHNPZ-GFCCVEGCSA-N 0 0 328.416 2.157 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)[C@H]2CCC[C@@H]21 ZINC000863330785 1296225555 /nfs/dbraw/zinc/22/55/55/1296225555.db2.gz AWROMJZLKLIEEE-BZPMIXESSA-N 0 0 333.384 2.210 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C(C)C)C1CC1 ZINC001118626356 1308904174 /nfs/dbraw/zinc/90/41/74/1308904174.db2.gz SOBSRYVLLUDQJW-KRWDZBQOSA-N 0 0 331.460 2.228 10 10 EECERN CCN(CC)c1ccc(C[NH2+][C@H](C(=O)[O-])c2cnn(C)c2)cc1F ZINC000841806311 1315616097 /nfs/dbraw/zinc/61/60/97/1315616097.db2.gz FJTINAZWJPRLQI-INIZCTEOSA-N 0 0 334.395 2.321 10 10 EECERN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)c2c(=O)[nH]n(C)c2n1 ZINC001151885979 1316602794 /nfs/dbraw/zinc/60/27/94/1316602794.db2.gz PUHDRWNHJNWBHS-SNVBAGLBSA-N 0 0 326.356 2.179 10 10 EECERN Cc1[nH+][n-]c2nnc(NC(=O)C=Cc3ccc(O)c(O)c3)c-2c1C ZINC001157404182 1318609506 /nfs/dbraw/zinc/60/95/06/1318609506.db2.gz VGCXGIUHKNPTNL-GQCTYLIASA-N 0 0 325.328 2.033 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2C[C@H]2C)cc1F ZINC001257235070 1318969068 /nfs/dbraw/zinc/96/90/68/1318969068.db2.gz YBIXDQVSLIOUAD-OCCSQVGLSA-N 0 0 335.423 2.060 10 10 EECERN C[C@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001293930458 1328842453 /nfs/dbraw/zinc/84/24/53/1328842453.db2.gz SBUWGDONKLEROL-SMDDNHRTSA-N 0 0 345.403 2.083 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC001161337146 1320462758 /nfs/dbraw/zinc/46/27/58/1320462758.db2.gz WCYRWIRNAAZZOJ-HNNXBMFYSA-N 0 0 346.387 2.259 10 10 EECERN COC(=O)c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC001162392658 1320844112 /nfs/dbraw/zinc/84/41/12/1320844112.db2.gz JEVYGEHGHIEALK-XVNBXDOJSA-N 0 0 333.365 2.276 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC001261189584 1322040950 /nfs/dbraw/zinc/04/09/50/1322040950.db2.gz GXXXTWNDSFDSQM-HNNXBMFYSA-N 0 0 348.443 2.205 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCC[C@@](O)(C3CC3)C2)cc1F ZINC001261654818 1322148367 /nfs/dbraw/zinc/14/83/67/1322148367.db2.gz DDDKNYOUTSKAOY-SFHVURJKSA-N 0 0 335.423 2.338 10 10 EECERN CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC001261691293 1322155940 /nfs/dbraw/zinc/15/59/40/1322155940.db2.gz KQLMHUMWRUMYSD-MRXNPFEDSA-N 0 0 335.423 2.059 10 10 EECERN CC/C=C(\C)C(=O)NC[C@@H](CC)NC(=O)c1cc(OC)nc(OC)c1 ZINC001297370130 1329965836 /nfs/dbraw/zinc/96/58/36/1329965836.db2.gz LIDHCOGBMLGRBF-CEFACKQISA-N 0 0 349.431 2.080 10 10 EECERN C[C@H](CNC(=O)C1CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001298626317 1330106007 /nfs/dbraw/zinc/10/60/07/1330106007.db2.gz UURFQCLJUQQOLG-LLVKDONJSA-N 0 0 345.403 2.274 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(O)c1F ZINC001301350663 1331297335 /nfs/dbraw/zinc/29/73/35/1331297335.db2.gz TYTRBHCYIDLMHT-UHFFFAOYSA-N 0 0 344.386 2.422 10 10 EECERN CC(C)(C)OC(=O)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001305602544 1331432463 /nfs/dbraw/zinc/43/24/63/1331432463.db2.gz ZUNWMWHOHKSZGA-UHFFFAOYSA-N 0 0 332.360 2.263 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@]34CCOC4)C2)cc1 ZINC001325910788 1333992309 /nfs/dbraw/zinc/99/23/09/1333992309.db2.gz LGIBWEFIJGQLBA-BEFAXECRSA-N 0 0 345.443 2.096 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001325934500 1333999438 /nfs/dbraw/zinc/99/94/38/1333999438.db2.gz FQCSKNKARPVHQM-RUGDWHBFSA-N 0 0 343.471 2.023 10 10 EECERN CCOC(=O)CN(Cc1cnn2c1CCC2)Cc1ccccc1O ZINC001330807714 1334906647 /nfs/dbraw/zinc/90/66/47/1334906647.db2.gz GYSVKWHTOZVWMC-UHFFFAOYSA-N 0 0 329.400 2.100 10 10 EECERN CN1CCCc2cc(CNC(=O)N3C4CCC3(CO)CC4)ccc21 ZINC001334299624 1336236095 /nfs/dbraw/zinc/23/60/95/1336236095.db2.gz YVAFNZBWMRZVGE-UHFFFAOYSA-N 0 0 329.444 2.268 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001351289163 1337804588 /nfs/dbraw/zinc/80/45/88/1337804588.db2.gz QQIWYGMIAWBIBE-MPGHIAIKSA-N 0 0 343.471 2.230 10 10 EECERN O=C(C(=O)N1CCCc2sccc2C1)N1Cc2cccc(O)c2C1 ZINC001351835587 1337855497 /nfs/dbraw/zinc/85/54/97/1337855497.db2.gz MVMJLTLPXAUZMH-UHFFFAOYSA-N 0 0 342.420 2.271 10 10 EECERN COC(=O)[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)c1cccnc1 ZINC000849321481 1339152613 /nfs/dbraw/zinc/15/26/13/1339152613.db2.gz GCQFISLGHIPPKL-MAUKXSAKSA-N 0 0 341.411 2.173 10 10 EECERN CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(C2CC2)no1 ZINC001611418328 1352300396 /nfs/dbraw/zinc/30/03/96/1352300396.db2.gz UZKXSFGCHORVFB-HNNXBMFYSA-N 0 0 331.372 2.414 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC001618723948 1352353009 /nfs/dbraw/zinc/35/30/09/1352353009.db2.gz RHGBLODLUVUWOC-HNNXBMFYSA-N 0 0 339.750 2.283 10 10 EECERN COc1ccc(NC(C)=O)c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001542321851 1342328376 /nfs/dbraw/zinc/32/83/76/1342328376.db2.gz KUHULOHYNRNIAQ-UHFFFAOYSA-N 0 0 330.340 2.246 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)CC1CCCC1 ZINC001556515927 1342430380 /nfs/dbraw/zinc/43/03/80/1342430380.db2.gz SBYPJBCLKRFRFG-UHFFFAOYSA-N 0 0 339.432 2.191 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC001557084693 1342440553 /nfs/dbraw/zinc/44/05/53/1342440553.db2.gz KPMFWUHJXGJNHH-INIZCTEOSA-N 0 0 330.315 2.046 10 10 EECERN CCCc1c(C(=O)NCc2c(O)cccc2O)[nH]c(C)c1C(=O)OC ZINC001558534693 1342480548 /nfs/dbraw/zinc/48/05/48/1342480548.db2.gz WYMLHLLHRSYMOY-UHFFFAOYSA-N 0 0 346.383 2.403 10 10 EECERN CCN(CCNC(=O)CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001581031246 1344582959 /nfs/dbraw/zinc/58/29/59/1344582959.db2.gz JJRJPUGCLLXXIL-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN C[C@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)COc2ccccc2O1 ZINC001585591818 1348807555 /nfs/dbraw/zinc/80/75/55/1348807555.db2.gz FJOZXMSIJJIADL-FUKPKEADSA-N 0 0 341.363 2.457 10 10 EECERN CN(Cc1nnc2ccccn21)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001598202041 1349936554 /nfs/dbraw/zinc/93/65/54/1349936554.db2.gz MMJDQLKYPWHXEO-UHFFFAOYSA-N 0 0 337.343 2.164 10 10 EECERN CCOc1cc(C(=O)NCc2cccc(Br)c2O)[nH]n1 ZINC001623363629 1352395410 /nfs/dbraw/zinc/39/54/10/1352395410.db2.gz IWYZJHRGEBERNK-UHFFFAOYSA-N 0 0 340.177 2.207 10 10 EECERN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCC(=O)N1 ZINC001623549943 1352399534 /nfs/dbraw/zinc/39/95/34/1352399534.db2.gz NRKFXYYBLFAHJU-RHSMWYFYSA-N 0 0 329.444 2.160 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1ncnc2[nH]ccc21 ZINC001626822107 1352474206 /nfs/dbraw/zinc/47/42/06/1352474206.db2.gz IZBPWXDZNWSBLM-UHFFFAOYSA-N 0 0 347.172 2.308 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)[C@H]1Cc2ccccc2C(=O)O1 ZINC001628667219 1352540242 /nfs/dbraw/zinc/54/02/42/1352540242.db2.gz SANGFYIXLGDEJN-OAHLLOKOSA-N 0 0 331.755 2.444 10 10 EECERN O=C(CCc1nc2cccnc2[nH]1)NCc1ccc2cccnc2c1O ZINC001630532439 1352570177 /nfs/dbraw/zinc/57/01/77/1352570177.db2.gz LHWJAGCTHMKZGC-UHFFFAOYSA-N 0 0 347.378 2.461 10 10 EECERN Cc1cnn(Cc2cc(C(=O)N[C@@H](C)c3ccccc3O)no2)c1 ZINC001632254387 1352595396 /nfs/dbraw/zinc/59/53/96/1352595396.db2.gz AUTQJPYKGOPSLX-LBPRGKRZSA-N 0 0 326.356 2.424 10 10 EECERN O=C(NCCc1ccc2c(c1)OCCCO2)c1cccc(O)c1O ZINC001635027821 1352639033 /nfs/dbraw/zinc/63/90/33/1352639033.db2.gz FEDTVCXJLCGDNO-UHFFFAOYSA-N 0 0 329.352 2.232 10 10 EECERN CCC[C@@H](OCC)C(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC001639587693 1352699807 /nfs/dbraw/zinc/69/98/07/1352699807.db2.gz BLMJIZKSTRWEBX-MRXNPFEDSA-N 0 0 337.416 2.489 10 10 EECERN O=C(CNC(=O)Nc1ccccc1)NCc1cc(Cl)ccc1O ZINC001639966155 1352703466 /nfs/dbraw/zinc/70/34/66/1352703466.db2.gz WJVOHUKMEBZKLQ-UHFFFAOYSA-N 0 0 333.775 2.484 10 10 EECERN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccc(O)c1O ZINC001643809150 1352751845 /nfs/dbraw/zinc/75/18/45/1352751845.db2.gz FTDGFFUQLHCPJC-UHFFFAOYSA-N 0 0 331.328 2.124 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001643887457 1352754997 /nfs/dbraw/zinc/75/49/97/1352754997.db2.gz QCIIMZBFSKCLAU-OAHLLOKOSA-N 0 0 339.395 2.047 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccn(-c2c(F)cccc2F)n1 ZINC001647270692 1353213534 /nfs/dbraw/zinc/21/35/34/1353213534.db2.gz XJOPPNFCZNMZAO-UHFFFAOYSA-N 0 0 345.305 2.492 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2cn(C)nn2)cc1 ZINC001650934214 1354034410 /nfs/dbraw/zinc/03/44/10/1354034410.db2.gz ULPMSAFBNHLHDE-UHFFFAOYSA-N 0 0 337.383 2.216 10 10 EECERN C[C@@H](O)C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154616949 768838157 /nfs/dbraw/zinc/83/81/57/768838157.db2.gz SRBNJSSHHCOARE-LLVKDONJSA-N 0 0 329.491 2.428 10 10 EECERN COc1ccc(N2CCCN(C(=O)/C=C/c3cnccn3)CC2)cc1 ZINC000918171088 768951405 /nfs/dbraw/zinc/95/14/05/768951405.db2.gz YIOLUVKCAVZLFH-FPYGCLRLSA-N 0 0 338.411 2.237 10 10 EECERN O=S(=O)(CCCC1CCOCC1)NCc1c(O)cccc1F ZINC000921451803 773382431 /nfs/dbraw/zinc/38/24/31/773382431.db2.gz WIMLNNXZWUFILF-UHFFFAOYSA-N 0 0 331.409 2.158 10 10 EECERN COc1ccc(CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)c(O)c1 ZINC000846949737 790767709 /nfs/dbraw/zinc/76/77/09/790767709.db2.gz JOIOQONUYBLMQO-QZTJIDSGSA-N 0 0 343.379 2.174 10 10 EECERN CC[C@H](NC(=O)NCCCSc1nccs1)[C@H](O)C(F)F ZINC000838512984 781098273 /nfs/dbraw/zinc/09/82/73/781098273.db2.gz BYSMWQNTCHVMPO-IUCAKERBSA-N 0 0 339.433 2.329 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCO[C@H]1C1CC1 ZINC000906317665 783815453 /nfs/dbraw/zinc/81/54/53/783815453.db2.gz PTQPHSYXEDZRSX-QAPCUYQASA-N 0 0 348.418 2.094 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCO1 ZINC000906740501 784117174 /nfs/dbraw/zinc/11/71/74/784117174.db2.gz XDBBGSWCJYBRBC-DNVCBOLYSA-N 0 0 346.471 2.327 10 10 EECERN C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C(=O)[O-] ZINC000818631098 785310923 /nfs/dbraw/zinc/31/09/23/785310923.db2.gz CEHYBJXZBVGDLF-DYVFJYSZSA-N 0 0 336.407 2.347 10 10 EECERN CNC(=O)c1cccnc1NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819933907 785699654 /nfs/dbraw/zinc/69/96/54/785699654.db2.gz AILPNAJJNYUUJV-AWEZNQCLSA-N 0 0 340.427 2.388 10 10 EECERN Cc1cc(CC(=O)N[C@@H]2CCCCNC2=O)c(C)n1-c1ccccc1 ZINC000821771991 786880746 /nfs/dbraw/zinc/88/07/46/786880746.db2.gz PDARVHYZCXTIDD-GOSISDBHSA-N 0 0 339.439 2.422 10 10 EECERN Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(O)cc1O ZINC000910957136 787135452 /nfs/dbraw/zinc/13/54/52/787135452.db2.gz KDQAMLZFIQFPGE-UHFFFAOYSA-N 0 0 331.416 2.426 10 10 EECERN CC(=O)N[C@@](C)(C(=O)NCc1ccc2cccnc2c1O)C(C)C ZINC000823182704 787596484 /nfs/dbraw/zinc/59/64/84/787596484.db2.gz XNCCGANJMAWDPA-GOSISDBHSA-N 0 0 329.400 2.107 10 10 EECERN C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000823292924 787681402 /nfs/dbraw/zinc/68/14/02/787681402.db2.gz UPSVUJJUGABPNK-YJBOKZPZSA-N 0 0 332.444 2.345 10 10 EECERN C[N@H+](Cc1cccc(Br)c1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000824501621 788209388 /nfs/dbraw/zinc/20/93/88/788209388.db2.gz QMCFIBRGKOZTHC-KBPBESRZSA-N 0 0 341.249 2.060 10 10 EECERN C[NH+]1CCC2(CC1)CN(Cc1cc(Cl)c(F)cc1[O-])CCO2 ZINC000843431560 788981834 /nfs/dbraw/zinc/98/18/34/788981834.db2.gz HUHHISQHTDVTPH-UHFFFAOYSA-N 0 0 328.815 2.481 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C)CC3)C2)cc1 ZINC000923182094 789060319 /nfs/dbraw/zinc/06/03/19/789060319.db2.gz DAUDUNQEKRJPFL-LSDHHAIUSA-N 0 0 333.432 2.094 10 10 EECERN COC[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000923186122 789082922 /nfs/dbraw/zinc/08/29/22/789082922.db2.gz IAPCCUUMACGCMY-HZPDHXFCSA-N 0 0 349.475 2.492 10 10 EECERN COc1cccc(CNC(=O)Cc2c(C)nn(CC3CC3)c2C)c1O ZINC000845834933 789964335 /nfs/dbraw/zinc/96/43/35/789964335.db2.gz XPHGGMPWKHYICW-UHFFFAOYSA-N 0 0 343.427 2.483 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@@]2(O)CCOC2)c1 ZINC000846050579 790038090 /nfs/dbraw/zinc/03/80/90/790038090.db2.gz VOBISDQNMMKJDK-CQSZACIVSA-N 0 0 330.222 2.094 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC000846442205 790183097 /nfs/dbraw/zinc/18/30/97/790183097.db2.gz MDQCIJMNWRHWBP-UHFFFAOYSA-N 0 0 330.432 2.291 10 10 EECERN O=C(NCCc1ccc2c(c1)OCCO2)NCc1c(O)cccc1F ZINC000913864480 794419476 /nfs/dbraw/zinc/41/94/76/794419476.db2.gz SXSSOISVGYQIJQ-UHFFFAOYSA-N 0 0 346.358 2.344 10 10 EECERN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000913927160 794589593 /nfs/dbraw/zinc/58/95/93/794589593.db2.gz WHGFVXWZLCSUHN-KRWDZBQOSA-N 0 0 347.459 2.280 10 10 EECERN O=C(c1ccc(Br)[nH]c1=O)N1Cc2cccc(O)c2C1 ZINC001175039124 797972964 /nfs/dbraw/zinc/97/29/64/797972964.db2.gz VKMWTTWFEOCISS-UHFFFAOYSA-N 0 0 335.157 2.411 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H](O)c1ccc(Cl)cc1F ZINC001178910988 799696361 /nfs/dbraw/zinc/69/63/61/799696361.db2.gz JFIQDFGKGXBJRO-CQSZACIVSA-N 0 0 325.723 2.240 10 10 EECERN CO[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccc(O)cc1 ZINC000787509661 807134061 /nfs/dbraw/zinc/13/40/61/807134061.db2.gz ACQCASXNVUTUFR-PIGZYNQJSA-N 0 0 331.368 2.238 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C\c1ccnn1-c1ccccc1 ZINC000790605772 808830674 /nfs/dbraw/zinc/83/06/74/808830674.db2.gz ZLZZMAIXJVBJSX-QINSGFPZSA-N 0 0 340.408 2.175 10 10 EECERN CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000790619334 808848358 /nfs/dbraw/zinc/84/83/58/808848358.db2.gz QKVDFUUHGHFZRS-WCQYABFASA-N 0 0 346.265 2.402 10 10 EECERN C[C@@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000792045930 809575337 /nfs/dbraw/zinc/57/53/37/809575337.db2.gz VYUAAVZAJTXLEQ-IJEWVQPXSA-N 0 0 344.459 2.081 10 10 EECERN CS(=O)(=O)c1cccc2c1N(C(=O)/C=C\c1cccnc1)CCC2 ZINC001129549538 810893822 /nfs/dbraw/zinc/89/38/22/810893822.db2.gz RTKZLLBEXXZNHA-KTKRTIGZSA-N 0 0 342.420 2.478 10 10 EECERN Cn1cccc1CNC(=O)NCc1cc(Br)ccc1O ZINC000805163063 811166269 /nfs/dbraw/zinc/16/62/69/811166269.db2.gz CZBAJMOJEYMZHK-UHFFFAOYSA-N 0 0 338.205 2.493 10 10 EECERN Cc1nc2ccccc2n1CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001440648851 1093918503 /nfs/dbraw/zinc/91/85/03/1093918503.db2.gz XCNQZNVYNWVQJX-UHFFFAOYSA-N 0 0 325.368 2.115 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001451757545 1097900463 /nfs/dbraw/zinc/90/04/63/1097900463.db2.gz MOJLRXICKDNVIR-UHFFFAOYSA-N 0 0 348.742 2.012 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC001456310563 1109138985 /nfs/dbraw/zinc/13/89/85/1109138985.db2.gz CNPIDMFLLTWOPC-WBMJQRKESA-N 0 0 327.336 2.018 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2cn(-c3cccnc3)nn2)cc1 ZINC001463768426 1110380100 /nfs/dbraw/zinc/38/01/00/1110380100.db2.gz QWLZMFZYJFEELB-UHFFFAOYSA-N 0 0 336.399 2.001 10 10 EECERN COc1ccc(C(=O)C(=O)NCc2c(O)cccc2O)cc1Cl ZINC001472063952 1110540836 /nfs/dbraw/zinc/54/08/36/1110540836.db2.gz UYLIEOJXYULGGY-UHFFFAOYSA-N 0 0 335.743 2.259 10 10 EECERN Cn1cc(C(=O)NCc2c(O)cccc2O)c(-c2cccs2)n1 ZINC001472063997 1110540853 /nfs/dbraw/zinc/54/08/53/1110540853.db2.gz RQMLBSYXXFVSRP-UHFFFAOYSA-N 0 0 329.381 2.490 10 10 EECERN COc1ccc(O)c([C@H](C)Nc2cc(C)nc(S(C)(=O)=O)n2)c1 ZINC001472687293 1110562363 /nfs/dbraw/zinc/56/23/63/1110562363.db2.gz BAIAXNBKJQAJDP-JTQLQIEISA-N 0 0 337.401 2.076 10 10 EECERN CCCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001524839280 1120231883 /nfs/dbraw/zinc/23/18/83/1120231883.db2.gz FCXORONXNWJFQE-JOCQHMNTSA-N 0 0 331.376 2.026 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1cnn(C)n1 ZINC001531695090 1122510642 /nfs/dbraw/zinc/51/06/42/1122510642.db2.gz YVSZOEDXEVEZPE-UHFFFAOYSA-N 0 0 327.432 2.007 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2nc[nH]c(=O)c21 ZINC001568737782 1124752168 /nfs/dbraw/zinc/75/21/68/1124752168.db2.gz MZHVAXZWOUSMFI-UHFFFAOYSA-N 0 0 344.367 2.457 10 10 EECERN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000366684773 238247656 /nfs/dbraw/zinc/24/76/56/238247656.db2.gz WVNRBCLYIYUEJU-CYBMUJFWSA-N 0 0 346.383 2.442 10 10 EECERN O=C(c1ccoc1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000057087258 463453012 /nfs/dbraw/zinc/45/30/12/463453012.db2.gz BZHZIJBJAZTOST-UHFFFAOYSA-N 0 0 326.396 2.432 10 10 EECERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000264426223 464321377 /nfs/dbraw/zinc/32/13/77/464321377.db2.gz JQOUVKFYPWEOFT-TZMCWYRMSA-N 0 0 336.457 2.298 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(C3CC3)n2)c1 ZINC000293969701 464427634 /nfs/dbraw/zinc/42/76/34/464427634.db2.gz RUWPKSSDKYVDJD-UHFFFAOYSA-N 0 0 347.396 2.288 10 10 EECERN Oc1cc2c(cc1CN1CCN(c3cc(C4CC4)[nH]n3)CC1)OCO2 ZINC000189902798 464560803 /nfs/dbraw/zinc/56/08/03/464560803.db2.gz OHENKHSILJJQMW-UHFFFAOYSA-N 0 0 342.399 2.044 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@H]3CC[C@@H](OC)C3)CC2)cc1 ZINC000249067693 464836372 /nfs/dbraw/zinc/83/63/72/464836372.db2.gz QLPGVOFBNGGXDO-MAUKXSAKSA-N 0 0 347.459 2.484 10 10 EECERN CCN(CC)c1ccc(CN2CCC[C@H](O)[C@H]2C(=O)OC)cc1F ZINC000249855602 464920992 /nfs/dbraw/zinc/92/09/92/464920992.db2.gz QCMMYCLLFPSUTM-IRXDYDNUSA-N 0 0 338.423 2.170 10 10 EECERN CCOCc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)ccc1OC ZINC000363264296 466317354 /nfs/dbraw/zinc/31/73/54/466317354.db2.gz LCEPRLYOISGDTB-IAOVAPTHSA-N 0 0 332.444 2.331 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC000363553471 466475679 /nfs/dbraw/zinc/47/56/79/466475679.db2.gz RDVZTZFCIXDJMC-ALOPSCKCSA-N 0 0 344.455 2.391 10 10 EECERN COC[C@@H]1CCCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000364142949 466684260 /nfs/dbraw/zinc/68/42/60/466684260.db2.gz AHXJTWCHXAXVHK-LLVKDONJSA-N 0 0 335.360 2.179 10 10 EECERN O=C(C1=CC(=O)CS1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000732280076 577165287 /nfs/dbraw/zinc/16/52/87/577165287.db2.gz UGLBFAUFOSIYTF-UHFFFAOYSA-N 0 0 342.371 2.003 10 10 EECERN C[C@@H]1Oc2ccc(C(=O)COC(=O)C3=CC(=O)CS3)cc2NC1=O ZINC000732352941 577174574 /nfs/dbraw/zinc/17/45/74/577174574.db2.gz IKRMBKCRSMFBCB-QMMMGPOBSA-N 0 0 347.348 2.213 10 10 EECERN CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000773623672 577355165 /nfs/dbraw/zinc/35/51/65/577355165.db2.gz LIMRKVIIXLFRNE-KBPBESRZSA-N 0 0 332.448 2.076 10 10 EECERN COC[C@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000768450514 577556010 /nfs/dbraw/zinc/55/60/10/577556010.db2.gz GGQCMIFUYDTXBP-SFHVURJKSA-N 0 0 334.391 2.360 10 10 EECERN COc1cccc(CNC(=O)CN(C)c2ccc(Cl)cn2)c1O ZINC000769508105 577579444 /nfs/dbraw/zinc/57/94/44/577579444.db2.gz QCMAVQGSJPEZSB-UHFFFAOYSA-N 0 0 335.791 2.202 10 10 EECERN O=C(COC(=O)c1cccc(O)c1O)N[C@@H]1CCCc2ccccc21 ZINC000758581943 577627740 /nfs/dbraw/zinc/62/77/40/577627740.db2.gz QITGJSKXQIAYLO-OAHLLOKOSA-N 0 0 341.363 2.448 10 10 EECERN CCOC(=O)[C@@H](Cc1ccccn1)NCc1ccc(OCC)cc1O ZINC000763480342 577721709 /nfs/dbraw/zinc/72/17/09/577721709.db2.gz MFAHRPLINMMMAY-QGZVFWFLSA-N 0 0 344.411 2.450 10 10 EECERN C[C@@H](NC(=O)/C=C/c1ccncn1)c1ccc(N2CCOCC2)cc1 ZINC000754167498 577801566 /nfs/dbraw/zinc/80/15/66/577801566.db2.gz GBNXERLTQZLCJE-NFBGWVBBSA-N 0 0 338.411 2.204 10 10 EECERN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000754172094 577801662 /nfs/dbraw/zinc/80/16/62/577801662.db2.gz XRJRRGKYEMYSPF-AWEZNQCLSA-N 0 0 340.427 2.421 10 10 EECERN Cc1cc(C(=O)N2C[C@H](O)C[C@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000755436657 577825108 /nfs/dbraw/zinc/82/51/08/577825108.db2.gz QMAYCPJRQYDDNA-IYBDPMFKSA-N 0 0 348.830 2.315 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC(c4ncc[nH]4)CC3)cc2N1 ZINC000757508828 577859990 /nfs/dbraw/zinc/85/99/90/577859990.db2.gz NUTAYZMVIOFFIZ-UHFFFAOYSA-N 0 0 343.343 2.033 10 10 EECERN C[C@H](NCc1cnn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000806167262 675456028 /nfs/dbraw/zinc/45/60/28/675456028.db2.gz PFGSGMMSZGRMQN-LBPRGKRZSA-N 0 0 335.839 2.156 10 10 EECERN CCc1nnsc1C(=O)NCc1cc(Br)ccc1O ZINC000804736859 675610986 /nfs/dbraw/zinc/61/09/86/675610986.db2.gz CAQXVFXTNWELGY-UHFFFAOYSA-N 0 0 342.218 2.499 10 10 EECERN Cc1n[nH]c(C)c1CC(=O)NCc1cc(Br)ccc1O ZINC000804737324 675611202 /nfs/dbraw/zinc/61/12/02/675611202.db2.gz OOIHLNYESSWNCA-UHFFFAOYSA-N 0 0 338.205 2.354 10 10 EECERN CCN(CC)c1ccc(CN2C[C@@H](C)O[C@H](C(=O)OC)C2)cc1F ZINC000092013409 678312890 /nfs/dbraw/zinc/31/28/90/678312890.db2.gz KTSUWGOTTDAXFU-DYVFJYSZSA-N 0 0 338.423 2.434 10 10 EECERN O=C(NCc1c(O)cccc1F)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000924509100 679499401 /nfs/dbraw/zinc/49/94/01/679499401.db2.gz AWHZAYNQRIJNTG-QPUJVOFHSA-N 0 0 336.285 2.440 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000187259085 684578551 /nfs/dbraw/zinc/57/85/51/684578551.db2.gz IWJAXQJOWVFLAF-QGZVFWFLSA-N 0 0 341.455 2.233 10 10 EECERN COc1ccc(CNC(=O)C[C@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000897629465 691710300 /nfs/dbraw/zinc/71/03/00/691710300.db2.gz OVFFAJVHVKXNHX-MRXNPFEDSA-N 0 0 349.427 2.383 10 10 EECERN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)N1CCCC1 ZINC000897649952 691727671 /nfs/dbraw/zinc/72/76/71/691727671.db2.gz DQSFYZMIIHWPMH-VIFPVBQESA-N 0 0 334.397 2.053 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000897734860 691774306 /nfs/dbraw/zinc/77/43/06/691774306.db2.gz JSLYCHRDOMFUBP-RISCZKNCSA-N 0 0 349.408 2.333 10 10 EECERN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCc3cc(C)ccc3O)[C@@H]2C1 ZINC000897740717 691776074 /nfs/dbraw/zinc/77/60/74/691776074.db2.gz FIHBTKBIYDURMK-OSRDXIQISA-N 0 0 332.400 2.088 10 10 EECERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000898630606 693405089 /nfs/dbraw/zinc/40/50/89/693405089.db2.gz LRCCCEMVFOOFQY-KCMWZYNZSA-N 0 0 343.471 2.119 10 10 EECERN CCC(=O)NC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001746781756 1178642771 /nfs/dbraw/zinc/64/27/71/1178642771.db2.gz PALKVQFNYPJQOR-CYBMUJFWSA-N 0 0 333.392 2.130 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc(-c2cccc(O)c2)on1 ZINC001142533138 1188237745 /nfs/dbraw/zinc/23/77/45/1188237745.db2.gz DQFYCMCGLDMRQR-UHFFFAOYSA-N 0 0 326.308 2.388 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2cccc3nc(CO)[nH]c32)cc1 ZINC000905447638 1189720103 /nfs/dbraw/zinc/72/01/03/1189720103.db2.gz CKLABKVSYWKBCD-UHFFFAOYSA-N 0 0 338.411 2.393 10 10 EECERN C[C@@H](CNC(=O)CC1CC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486783697 1194244832 /nfs/dbraw/zinc/24/48/32/1194244832.db2.gz RYQDRFVNBYTDEP-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN Cc1nsc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000794734410 1197942037 /nfs/dbraw/zinc/94/20/37/1197942037.db2.gz FUGPUCLMKVSUAL-LLVKDONJSA-N 0 0 332.429 2.174 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000871908218 1197966587 /nfs/dbraw/zinc/96/65/87/1197966587.db2.gz GGSYUVDVCVZKIB-INWMFGNUSA-N 0 0 330.384 2.114 10 10 EECERN CN1C(=O)/C(=C\c2cn(C[C@@H]3CCOC3)nn2)c2cc(Cl)ccc21 ZINC000865224580 1198130332 /nfs/dbraw/zinc/13/03/32/1198130332.db2.gz TVMFHZYYYFNSEV-URXIRXLPSA-N 0 0 344.802 2.485 10 10 EECERN Cc1cc(=O)[nH]cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000124610757 1198672748 /nfs/dbraw/zinc/67/27/48/1198672748.db2.gz CTAGUWIQGCTPEK-AWEZNQCLSA-N 0 0 341.411 2.011 10 10 EECERN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1ccc(N2CCOCC2)cc1 ZINC000874197295 1198819928 /nfs/dbraw/zinc/81/99/28/1198819928.db2.gz PMBQQBORAHLCIR-KBRIMQKVSA-N 0 0 340.427 2.227 10 10 EECERN Cc1cc(=O)[nH]c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000814627240 1199633251 /nfs/dbraw/zinc/63/32/51/1199633251.db2.gz FEXXNBJYPHACKA-CQSZACIVSA-N 0 0 341.411 2.423 10 10 EECERN O=C(COc1ccc2c(c1)CCC(=O)N2)N1Cc2cccc(O)c2C1 ZINC000871198810 1201096349 /nfs/dbraw/zinc/09/63/49/1201096349.db2.gz PGLRVJUARCXAJP-UHFFFAOYSA-N 0 0 338.363 2.198 10 10 EECERN CCc1cnc(CCNC(=O)NCc2cc(OC)ccc2O)s1 ZINC000074261621 1201257088 /nfs/dbraw/zinc/25/70/88/1201257088.db2.gz JFCOSCBIRRYOQF-UHFFFAOYSA-N 0 0 335.429 2.462 10 10 EECERN COc1cnc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(F)c1 ZINC000866205596 1201464689 /nfs/dbraw/zinc/46/46/89/1201464689.db2.gz GANCKNAHSJZJDY-UHFFFAOYSA-N 0 0 331.347 2.335 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)c1 ZINC000866765109 1201600918 /nfs/dbraw/zinc/60/09/18/1201600918.db2.gz RTCOFKRXSGIAKU-AAEUAGOBSA-N 0 0 345.399 2.050 10 10 EECERN COC(=O)C1(CS(=O)(=O)N[C@@H](C)c2ccccc2O)CCCC1 ZINC000867836541 1201691041 /nfs/dbraw/zinc/69/10/41/1201691041.db2.gz WZVFLQPCKDWQLQ-LBPRGKRZSA-N 0 0 341.429 2.106 10 10 EECERN Nc1ccc(NC(=O)C(=O)NCC2([C@@H]3CCCCO3)CCC2)cc1 ZINC000868296017 1201785736 /nfs/dbraw/zinc/78/57/36/1201785736.db2.gz IWRRDEBVRNQVMB-HNNXBMFYSA-N 0 0 331.416 2.063 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000868966736 1201914181 /nfs/dbraw/zinc/91/41/81/1201914181.db2.gz XMRIJUZFGFDNOK-UMVBOHGHSA-N 0 0 335.400 2.097 10 10 EECERN C[C@@H](NC(=O)NC[C@H]1CC2(CO1)CCOCC2)c1ccccc1O ZINC000869039999 1201927850 /nfs/dbraw/zinc/92/78/50/1201927850.db2.gz VKLGZGQVNSPGPF-ZIAGYGMSSA-N 0 0 334.416 2.338 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nnc([C@@H]2CCCO2)s1 ZINC001649171292 1202443492 /nfs/dbraw/zinc/44/34/92/1202443492.db2.gz YKLNRVDYYXQVDX-RNZFLTOJSA-N 0 0 333.369 2.453 10 10 EECERN COc1ccc(O)cc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000780415716 1204954316 /nfs/dbraw/zinc/95/43/16/1204954316.db2.gz MBXPDEKJQKUINN-UHFFFAOYSA-N 0 0 328.368 2.490 10 10 EECERN C[C@@H](NC(=O)c1ccc(C=O)cn1)c1ccc(N2CCOCC2)cc1 ZINC000930743086 1206579315 /nfs/dbraw/zinc/57/93/15/1206579315.db2.gz CDWIFSSDCRYQAC-CQSZACIVSA-N 0 0 339.395 2.222 10 10 EECERN COc1ccc(N2CCN(CCNC(=O)[C@@]3(C)C=CCC3)CC2)cc1 ZINC000930941134 1206594447 /nfs/dbraw/zinc/59/44/47/1206594447.db2.gz KWSXISYFECOEFR-FQEVSTJZSA-N 0 0 343.471 2.290 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C[C@H]2CCOC2)c1O ZINC000933671797 1207811587 /nfs/dbraw/zinc/81/15/87/1207811587.db2.gz QFVAJMJJHYUEAR-CJNGLKHVSA-N 0 0 337.391 2.361 10 10 EECERN COCCOc1ncccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779513456 1210403436 /nfs/dbraw/zinc/40/34/36/1210403436.db2.gz HXBXWSDCCQQMJP-ALCCZGGFSA-N 0 0 330.340 2.170 10 10 EECERN CNC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000795601758 1214392276 /nfs/dbraw/zinc/39/22/76/1214392276.db2.gz OJRFNOCUHTWBEU-OAHLLOKOSA-N 0 0 329.356 2.267 10 10 EECERN Fc1cc(CN2CCN(CC(F)F)CC2)ccc1N1CCOCC1 ZINC000092586599 1214567759 /nfs/dbraw/zinc/56/77/59/1214567759.db2.gz POTUQCFHYYGBPI-UHFFFAOYSA-N 0 0 343.393 2.045 10 10 EECERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000305297936 1216166062 /nfs/dbraw/zinc/16/60/62/1216166062.db2.gz GZAQLYZEVWVOQN-HIFRSBDPSA-N 0 0 327.384 2.483 10 10 EECERN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C1(S(C)(=O)=O)CC1 ZINC000796493522 1219492508 /nfs/dbraw/zinc/49/25/08/1219492508.db2.gz XZFJPEXDNVXELG-SECBINFHSA-N 0 0 348.262 2.210 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCCCc1ncn(C)n1 ZINC000827712521 1248663917 /nfs/dbraw/zinc/66/39/17/1248663917.db2.gz ILUSIGAKHJCCAL-UHFFFAOYSA-N 0 0 345.447 2.465 10 10 EECERN COCCOc1ccc(NC(=O)NCc2c(O)cccc2F)cn1 ZINC000902944326 1239153443 /nfs/dbraw/zinc/15/34/43/1239153443.db2.gz FKEBCSBTKUVPPH-UHFFFAOYSA-N 0 0 335.335 2.273 10 10 EECERN CC1CCN(c2ccc(CNC(=O)CCc3cn(C)nn3)cc2)CC1 ZINC000826861313 1248097426 /nfs/dbraw/zinc/09/74/26/1248097426.db2.gz DTONLDMIHFVRNC-UHFFFAOYSA-N 0 0 341.459 2.300 10 10 EECERN CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000827544905 1248409028 /nfs/dbraw/zinc/40/90/28/1248409028.db2.gz NSMGCYSOBPEPHI-GFCCVEGCSA-N 0 0 329.803 2.372 10 10 EECERN COc1cccc(CNS(=O)(=O)CCCC2CCOCC2)c1O ZINC000827195352 1250676297 /nfs/dbraw/zinc/67/62/97/1250676297.db2.gz ZMZHTQBBLMAACL-UHFFFAOYSA-N 0 0 343.445 2.027 10 10 EECERN COc1ccnc(CNCc2ccc(N3CCOCC3)cc2)c1F ZINC000850380349 1277206909 /nfs/dbraw/zinc/20/69/09/1277206909.db2.gz GDVZKGNUTHDEEC-UHFFFAOYSA-N 0 0 331.391 2.356 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](O)C(F)(F)C2)cc1 ZINC000853456707 1292388619 /nfs/dbraw/zinc/38/86/19/1292388619.db2.gz OCFXLXAFKZQLOQ-OAHLLOKOSA-N 0 0 341.402 2.444 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCCc3ccncc3)C2)cc1 ZINC000853863773 1292496659 /nfs/dbraw/zinc/49/66/59/1292496659.db2.gz YHMBGXCTXZVESA-INIZCTEOSA-N 0 0 340.427 2.211 10 10 EECERN CC(=O)NCc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000854276894 1292700780 /nfs/dbraw/zinc/70/07/80/1292700780.db2.gz BZLUUPTWRVWOHQ-UHFFFAOYSA-N 0 0 341.411 2.370 10 10 EECERN CCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCCOC1 ZINC000854296341 1292707349 /nfs/dbraw/zinc/70/73/49/1292707349.db2.gz IJIJJRCGHCXHHH-NVXWUHKLSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(O)CCC[C@@H]3C)C2)cc1 ZINC000854297015 1292708187 /nfs/dbraw/zinc/70/81/87/1292708187.db2.gz IIJAPQMMAWJJFF-DOXZYTNZSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H]3CCCOC3)C2)cc1 ZINC000854297420 1292708819 /nfs/dbraw/zinc/70/88/19/1292708819.db2.gz NEKMKTRQHWQMQJ-HOCLYGCPSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](CCO)C3)C2)cc1 ZINC000854299023 1292710121 /nfs/dbraw/zinc/71/01/21/1292710121.db2.gz DWHJLHDTOLATKQ-JKSUJKDBSA-N 0 0 347.459 2.078 10 10 EECERN Cc1cc(CC(=O)N[C@H]2C(=O)NCC[C@H]2C)c(C)n1-c1ccccc1 ZINC000854337415 1292734508 /nfs/dbraw/zinc/73/45/08/1292734508.db2.gz YODFNRLJDCCCGO-BFUOFWGJSA-N 0 0 339.439 2.277 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ncccc3OC)C2)cc1 ZINC000855223404 1293116788 /nfs/dbraw/zinc/11/67/88/1293116788.db2.gz GRQIIEDWUYPRDT-AWEZNQCLSA-N 0 0 341.411 2.036 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3cnccc3C)C2)cc1 ZINC000855226826 1293118711 /nfs/dbraw/zinc/11/87/11/1293118711.db2.gz UPELVRGTIJAOJA-MRXNPFEDSA-N 0 0 325.412 2.336 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC(=O)[C@@H]3C)C2)cc1 ZINC000855226046 1293118720 /nfs/dbraw/zinc/11/87/20/1293118720.db2.gz PQTURIKIPZAZOR-KFWWJZLASA-N 0 0 330.428 2.395 10 10 EECERN COC(=O)c1coc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000855228093 1293119485 /nfs/dbraw/zinc/11/94/85/1293119485.db2.gz VCHWYXBCFYTDNO-CYBMUJFWSA-N 0 0 344.367 2.084 10 10 EECERN CCn1nc(C)cc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229693 1293120699 /nfs/dbraw/zinc/12/06/99/1293120699.db2.gz LLMBXPQNXFOJDW-AWEZNQCLSA-N 0 0 328.416 2.229 10 10 EECERN O=C(NCC[C@H]1CC1(F)F)NCc1ccc(N2CCOCC2)cc1 ZINC000856827568 1293650388 /nfs/dbraw/zinc/65/03/88/1293650388.db2.gz SJGMEVGESXDNNW-AWEZNQCLSA-N 0 0 339.386 2.368 10 10 EECERN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](CC(F)(F)F)O1 ZINC000857338730 1293796585 /nfs/dbraw/zinc/79/65/85/1293796585.db2.gz PTYPDBZYIAIOFP-HTQZYQBOSA-N 0 0 337.269 2.419 10 10 EECERN C[C@H](NC(c1ccnn1C)c1ccnn1C)c1cc(F)ccc1O ZINC000858583940 1294160377 /nfs/dbraw/zinc/16/03/77/1294160377.db2.gz NSUIBIAPBJMUFJ-NSHDSACASA-N 0 0 329.379 2.439 10 10 EECERN CN(C)c1ccc(CN(C)S(=O)(=O)[C@@H]2COC(C)(C)C2)cc1 ZINC000858882972 1294251743 /nfs/dbraw/zinc/25/17/43/1294251743.db2.gz WGBHAGSXXVWLLC-HNNXBMFYSA-N 0 0 326.462 2.082 10 10 EECERN Cc1ncc2n1C[C@H](C(=O)NCc1ccc3cccnc3c1O)CC2 ZINC000862026711 1295660928 /nfs/dbraw/zinc/66/09/28/1295660928.db2.gz XXZOOONFPSGMLN-OAHLLOKOSA-N 0 0 336.395 2.324 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC[C@@H]2CC=CCC2)c1 ZINC000862949408 1296038808 /nfs/dbraw/zinc/03/88/08/1296038808.db2.gz ZKLSMBCWGYUNKN-GFCCVEGCSA-N 0 0 338.429 2.240 10 10 EECERN Cc1cc(CC(=O)NCC(=O)N2CCCC2)c(C)n1-c1ccccc1 ZINC001118629486 1308906191 /nfs/dbraw/zinc/90/61/91/1308906191.db2.gz FVVUVPSBUJGZGN-UHFFFAOYSA-N 0 0 339.439 2.375 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2nc[nH]c(=O)c21 ZINC001138152641 1314557287 /nfs/dbraw/zinc/55/72/87/1314557287.db2.gz MALZZLMYQPLUNR-SNVBAGLBSA-N 0 0 339.351 2.108 10 10 EECERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112181 1315478363 /nfs/dbraw/zinc/47/83/63/1315478363.db2.gz LPCPZZHPLOUGBA-SJKOYZFVSA-N 0 0 339.395 2.058 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCCn2ncnc21 ZINC001142419457 1315600901 /nfs/dbraw/zinc/60/09/01/1315600901.db2.gz RXZUCWPBQLORJA-PBHICJAKSA-N 0 0 341.459 2.277 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H](O)c1ccccc1C(F)(F)F ZINC001156885520 1318263832 /nfs/dbraw/zinc/26/38/32/1318263832.db2.gz HYWRWFVKJHGBTI-AWEZNQCLSA-N 0 0 341.285 2.466 10 10 EECERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](O)[C@H](C)O)c1 ZINC001261886382 1322194039 /nfs/dbraw/zinc/19/40/39/1322194039.db2.gz BLSOYTPQVUAEJL-LRDDRELGSA-N 0 0 336.819 2.219 10 10 EECERN CN1CCN(c2ccc(CN3CCO[C@H](C(F)F)C3)cc2F)CC1 ZINC001262011266 1322222180 /nfs/dbraw/zinc/22/21/80/1322222180.db2.gz FTVKBNNXMBEWLQ-INIZCTEOSA-N 0 0 343.393 2.043 10 10 EECERN COc1ccc(N2CCN(C(=O)Cc3ccnc(F)c3)CC2)cc1F ZINC001294824158 1329157845 /nfs/dbraw/zinc/15/78/45/1329157845.db2.gz SCDXDVAARUOPEA-UHFFFAOYSA-N 0 0 347.365 2.260 10 10 EECERN CC(=O)NCCCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001286963676 1327441457 /nfs/dbraw/zinc/44/14/57/1327441457.db2.gz QDEUTTFQEFBPPW-UHFFFAOYSA-N 0 0 343.431 2.024 10 10 EECERN Cc1cc(CCNC(=O)/C=C/C(=O)N(C)C)c(C)n1-c1ccccc1 ZINC001301990617 1331316004 /nfs/dbraw/zinc/31/60/04/1331316004.db2.gz WGDBTIJULSDQOH-ZHACJKMWSA-N 0 0 339.439 2.397 10 10 EECERN O=C(CCOCC(F)(F)C(F)F)NCc1c(O)cccc1O ZINC001304054009 1331375374 /nfs/dbraw/zinc/37/53/74/1331375374.db2.gz ZWWRXSILBZRLMO-UHFFFAOYSA-N 0 0 325.258 2.021 10 10 EECERN Cc1nnc(N2CCOC[C@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001304870869 1331401246 /nfs/dbraw/zinc/40/12/46/1331401246.db2.gz WAUNAWGBWCLYEF-CQSZACIVSA-N 0 0 341.459 2.242 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)CC(F)(F)F ZINC001328232973 1334420132 /nfs/dbraw/zinc/42/01/32/1334420132.db2.gz WWBRRGHUPLIPLF-UHFFFAOYSA-N 0 0 346.349 2.445 10 10 EECERN C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)CC(F)F ZINC001329388113 1334638466 /nfs/dbraw/zinc/63/84/66/1334638466.db2.gz DWVBKDVIOYJGRJ-LBPRGKRZSA-N 0 0 341.402 2.119 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@H]1CCC[C@@H](C)O1)c1ccc(N(C)C)cc1 ZINC001330967597 1334937113 /nfs/dbraw/zinc/93/71/13/1334937113.db2.gz FIOBMZRIIYRROS-JKIFEVAISA-N 0 0 347.459 2.004 10 10 EECERN CCCN(Cc1ccccc1O)c1nnnn1Cc1cc(C)on1 ZINC001332548459 1335846888 /nfs/dbraw/zinc/84/68/88/1335846888.db2.gz UJSUIMOBSNLWLC-UHFFFAOYSA-N 0 0 328.376 2.140 10 10 EECERN CN(C)c1ccc(CNC(=O)N2Cc3ccccc3NC(=O)C2)cc1 ZINC000847276862 1337926920 /nfs/dbraw/zinc/92/69/20/1337926920.db2.gz MTJVQQSJIJWIEQ-UHFFFAOYSA-N 0 0 338.411 2.417 10 10 EECERN C[C@H](NC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000847355773 1337974493 /nfs/dbraw/zinc/97/44/93/1337974493.db2.gz GNXWHJKDZRLFSO-BLLLJJGKSA-N 0 0 346.431 2.096 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCn2nncc2C1 ZINC000848269404 1338628781 /nfs/dbraw/zinc/62/87/81/1338628781.db2.gz BPRWJJZKNVQSBO-UHFFFAOYSA-N 0 0 327.413 2.403 10 10 EECERN COc1ccc2c(c1)OCC(C(=O)NCc1cc(O)ccc1O)=C2 ZINC001593873628 1349873163 /nfs/dbraw/zinc/87/31/63/1349873163.db2.gz UNJCQDSTIZAABK-UHFFFAOYSA-N 0 0 327.336 2.199 10 10 EECERN COc1ccccc1[C@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001597365078 1349923353 /nfs/dbraw/zinc/92/33/53/1349923353.db2.gz SMUPGOONXMYQNM-AWEZNQCLSA-N 0 0 342.355 2.321 10 10 EECERN CN(C)c1ccc(CNC(=O)c2nnc(-c3ccco3)o2)cc1F ZINC001598029240 1349934756 /nfs/dbraw/zinc/93/47/56/1349934756.db2.gz SLMQAQZJXOVGOR-UHFFFAOYSA-N 0 0 330.319 2.465 10 10 EECERN NC(=O)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC001621282474 1352365957 /nfs/dbraw/zinc/36/59/57/1352365957.db2.gz MZDYVVSMQKZAPR-GFCCVEGCSA-N 0 0 334.759 2.098 10 10 EECERN O=C(c1cnn(CCO)c1)N(Cc1ccco1)Cc1ccccc1O ZINC001622309235 1352381542 /nfs/dbraw/zinc/38/15/42/1352381542.db2.gz GYUBUQWDGHKVDT-UHFFFAOYSA-N 0 0 341.367 2.017 10 10 EECERN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cn[nH]c(=O)c1 ZINC001625657907 1352454590 /nfs/dbraw/zinc/45/45/90/1352454590.db2.gz YPDWQAMREDTHBW-UHFFFAOYSA-N 0 0 332.323 2.144 10 10 EECERN C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CCc2ccccc21 ZINC001627389960 1352494254 /nfs/dbraw/zinc/49/42/54/1352494254.db2.gz QNUGAXJQLPGAIN-CYBMUJFWSA-N 0 0 326.396 2.208 10 10 EECERN COc1ccc(C=O)c(OCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001632250278 1352595210 /nfs/dbraw/zinc/59/52/10/1352595210.db2.gz PDUOZYJAEMQXTE-LBPRGKRZSA-N 0 0 329.352 2.470 10 10 EECERN CC(=O)N(C)c1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001633132658 1352606371 /nfs/dbraw/zinc/60/63/71/1352606371.db2.gz VMVYYIRXCKBDGP-UHFFFAOYSA-N 0 0 328.368 2.319 10 10 EECERN CC(=O)Nc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)nc1 ZINC001633879714 1352619463 /nfs/dbraw/zinc/61/94/63/1352619463.db2.gz JJYDEMFYUAYTCK-UHFFFAOYSA-N 0 0 326.316 2.455 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1ccc2c(c1)OCC(=O)N2 ZINC001638570033 1352689776 /nfs/dbraw/zinc/68/97/76/1352689776.db2.gz RMQCDIGAUXEPMZ-UHFFFAOYSA-N 0 0 349.346 2.201 10 10 EECERN COc1ccc(CN(CCO)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001643528594 1352750357 /nfs/dbraw/zinc/75/03/57/1352750357.db2.gz SMNGVUAFBMENLK-WEVVVXLNSA-N 0 0 343.379 2.141 10 10 EECERN Cc1nc(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)[nH]c1C ZINC001644865814 1352770918 /nfs/dbraw/zinc/77/09/18/1352770918.db2.gz ZFMWIGSAEKUNGF-UHFFFAOYSA-N 0 0 329.400 2.386 10 10 EECERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001645361146 1352776959 /nfs/dbraw/zinc/77/69/59/1352776959.db2.gz YXDYFIJLZCEMEW-CYBMUJFWSA-N 0 0 334.416 2.141 10 10 EECERN O=C(NCc1c(F)cccc1-n1cccn1)c1c(F)ccc(O)c1O ZINC001651020500 1354037225 /nfs/dbraw/zinc/03/72/25/1354037225.db2.gz HWUHBSVFHHNHDF-UHFFFAOYSA-N 0 0 345.305 2.492 10 10 EECERN CCN(C(=O)CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC001651221092 1354045151 /nfs/dbraw/zinc/04/51/51/1354045151.db2.gz NRZNRHIHEBJXAX-UHFFFAOYSA-N 0 0 332.331 2.020 10 10 EECERN Oc1ccccc1CNc1cnc(I)nc1 ZINC001651445962 1354053476 /nfs/dbraw/zinc/05/34/76/1354053476.db2.gz LBSWHZQMIDIJBB-UHFFFAOYSA-N 0 0 327.125 2.399 10 10 EECERN C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C(=O)N1c1ccccc1 ZINC001654369864 1354147459 /nfs/dbraw/zinc/14/74/59/1354147459.db2.gz NDJMMSOUASEJAE-GWCFXTLKSA-N 0 0 344.342 2.161 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001680084177 1357796482 /nfs/dbraw/zinc/79/64/82/1357796482.db2.gz VPEKFXBUHGMZOQ-LBPRGKRZSA-N 0 0 343.358 2.136 10 10 EECERN CN(CCNC(=O)C1(C)CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001688361856 1358930903 /nfs/dbraw/zinc/93/09/03/1358930903.db2.gz XSQNLKVQHDVTNL-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)c1 ZINC001167294104 757709208 /nfs/dbraw/zinc/70/92/08/757709208.db2.gz YVJNDVCBIFNFOW-AWEZNQCLSA-N 0 0 328.343 2.267 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCCOC1CCOCC1 ZINC000919081258 769574276 /nfs/dbraw/zinc/57/42/76/769574276.db2.gz JAABGKRYSDJGOP-UHFFFAOYSA-N 0 0 335.448 2.056 10 10 EECERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000906455448 783926614 /nfs/dbraw/zinc/92/66/14/783926614.db2.gz QXFZAPWWMKQXIU-JKSUJKDBSA-N 0 0 330.428 2.275 10 10 EECERN CCN(CC)c1ccc(CNC(=O)CC2(O)CCOCC2)cc1F ZINC000906628889 784057460 /nfs/dbraw/zinc/05/74/60/784057460.db2.gz TYVXHVNHUHXIAO-UHFFFAOYSA-N 0 0 338.423 2.220 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)c1 ZINC000913000829 788538824 /nfs/dbraw/zinc/53/88/24/788538824.db2.gz WTXCUPFGRLTNIL-GOSISDBHSA-N 0 0 335.400 2.208 10 10 EECERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c1 ZINC000923010037 788550094 /nfs/dbraw/zinc/55/00/94/788550094.db2.gz JMWIDNRIUWUINH-RHNCMZPLSA-N 0 0 328.368 2.483 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(C(F)F)CC1 ZINC000843531811 788681075 /nfs/dbraw/zinc/68/10/75/788681075.db2.gz IMDYWVSLWCEHBW-UHFFFAOYSA-N 0 0 328.334 2.324 10 10 EECERN CCOC(=O)C1CCC(CC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000843832913 788681867 /nfs/dbraw/zinc/68/18/67/788681867.db2.gz YFJKXXDYOWVQGC-UHFFFAOYSA-N 0 0 335.400 2.474 10 10 EECERN COc1cc(CN2CCn3c(CC4CC4)nnc3C2)c(O)cc1C ZINC000844721587 789325607 /nfs/dbraw/zinc/32/56/07/789325607.db2.gz ZTMXCBJOSXEJOX-UHFFFAOYSA-N 0 0 328.416 2.269 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)NCC2=CCOCC2)cc1 ZINC000845227961 789678336 /nfs/dbraw/zinc/67/83/36/789678336.db2.gz BMWMUEBLAHNSHA-UHFFFAOYSA-N 0 0 333.432 2.120 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)NCC[C@]1(O)CCOC1 ZINC000845453906 789806116 /nfs/dbraw/zinc/80/61/16/789806116.db2.gz CIQFSVRXBJWGFG-SFHVURJKSA-N 0 0 336.432 2.245 10 10 EECERN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001146306334 791187367 /nfs/dbraw/zinc/18/73/67/791187367.db2.gz HANFSXGPCCHJHD-NSHDSACASA-N 0 0 338.404 2.012 10 10 EECERN Cn1nnc2ccc(C(=O)NCCCSc3nccs3)cc21 ZINC000186335301 792011849 /nfs/dbraw/zinc/01/18/49/792011849.db2.gz FFQLMVRCYXQEBB-UHFFFAOYSA-N 0 0 333.442 2.337 10 10 EECERN COc1ccc2c(c1)OC[C@@H](NC(=O)NCc1c(O)cccc1F)C2 ZINC000921736947 795651753 /nfs/dbraw/zinc/65/17/53/795651753.db2.gz OHQGFAKFPXOZNL-LBPRGKRZSA-N 0 0 346.358 2.343 10 10 EECERN O=C1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CN1CC1CC1 ZINC000716790802 796455025 /nfs/dbraw/zinc/45/50/25/796455025.db2.gz CGRCRRBJIWQPFR-LBPRGKRZSA-N 0 0 339.233 2.255 10 10 EECERN CS(=O)(=O)c1cccnc1CNCc1ccc2c(c1)CCCO2 ZINC000922070694 798819454 /nfs/dbraw/zinc/81/94/54/798819454.db2.gz LRBXODRRNDMGMZ-UHFFFAOYSA-N 0 0 332.425 2.100 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N(CCOC)[C@H]2CCOC2)cc1 ZINC000786999887 806959682 /nfs/dbraw/zinc/95/96/82/806959682.db2.gz IIECBRKSEFQOPR-SFHVURJKSA-N 0 0 349.475 2.480 10 10 EECERN CC(=O)N(C)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000787445428 807122138 /nfs/dbraw/zinc/12/21/38/807122138.db2.gz LJMBNIBNDNLEMO-UHFFFAOYSA-N 0 0 328.368 2.053 10 10 EECERN O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)C1=CC(=O)CS1 ZINC000792511934 809775061 /nfs/dbraw/zinc/77/50/61/809775061.db2.gz FLKAJAXLEVSETL-JTQLQIEISA-N 0 0 327.352 2.313 10 10 EECERN COc1ccc(O[C@H](C)C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794376018 810803457 /nfs/dbraw/zinc/80/34/57/810803457.db2.gz ARYCHHXWGMTAAM-GFCCVEGCSA-N 0 0 331.368 2.493 10 10 EECERN Cn1ccc(NC(=O)NCc2cc(Br)ccc2O)n1 ZINC000806247936 811791998 /nfs/dbraw/zinc/79/19/98/811791998.db2.gz RHYWXRMTXCHJDR-UHFFFAOYSA-N 0 0 325.166 2.210 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000808094528 812454629 /nfs/dbraw/zinc/45/46/29/812454629.db2.gz SLJWKGPHIICKII-UHFFFAOYSA-N 0 0 346.383 2.250 10 10 EECERN CO[C@H](C)[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805325297 812876095 /nfs/dbraw/zinc/87/60/95/812876095.db2.gz QIZZNDDHAPAUMJ-DTWKUNHWSA-N 0 0 331.210 2.377 10 10 EECERN C[C@H](C(=O)NCc1ccc(O)c(O)c1)n1ccc2ccccc2c1=O ZINC001566359260 1125597120 /nfs/dbraw/zinc/59/71/20/1125597120.db2.gz XNUSHFQZODFZRZ-GFCCVEGCSA-N 0 0 338.363 2.290 10 10 EECERN COC(=O)c1cc(F)cc(C(=O)NCc2cccc(OC)c2O)c1 ZINC001445968307 1091921651 /nfs/dbraw/zinc/92/16/51/1091921651.db2.gz LVIHSWGLAOHSFQ-UHFFFAOYSA-N 0 0 333.315 2.257 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccc(CO)cc1 ZINC001449119229 1094116836 /nfs/dbraw/zinc/11/68/36/1094116836.db2.gz JFSBJLRJJNSOMW-UHFFFAOYSA-N 0 0 336.384 2.065 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCC(=O)Nc2cccnc2)cc1 ZINC001442703210 1097073439 /nfs/dbraw/zinc/07/34/39/1097073439.db2.gz NURWRTCEUKWRPE-UHFFFAOYSA-N 0 0 340.343 2.003 10 10 EECERN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](CO)Cc1ccccc1 ZINC001453285390 1106091640 /nfs/dbraw/zinc/09/16/40/1106091640.db2.gz APJAIPRWSQSOBZ-YHWKNFMLSA-N 0 0 327.380 2.173 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cc(Br)cnc1F ZINC001456313555 1109140347 /nfs/dbraw/zinc/14/03/47/1109140347.db2.gz FGKLJAQYFVHKJF-UHFFFAOYSA-N 0 0 341.136 2.324 10 10 EECERN COc1ccc2c(c1)[C@H](NC(=O)c1c(F)ccc(O)c1O)CCO2 ZINC001472542842 1110558694 /nfs/dbraw/zinc/55/86/94/1110558694.db2.gz XKFANSGKVKUBNS-GFCCVEGCSA-N 0 0 333.315 2.499 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC2(C1)OCCO2 ZINC001478319472 1110653050 /nfs/dbraw/zinc/65/30/50/1110653050.db2.gz TVLXWUOHNUWIRQ-GFCCVEGCSA-N 0 0 326.780 2.140 10 10 EECERN CCc1nnc(N2CCOC[C@@H]2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001499238519 1112194725 /nfs/dbraw/zinc/19/47/25/1112194725.db2.gz QHTAEXCWWNXWIZ-ZDUSSCGKSA-N 0 0 347.438 2.319 10 10 EECERN COc1cc(O)c(CN2CCO[C@H](c3nccs3)C2)cc1OC ZINC000160243707 237235429 /nfs/dbraw/zinc/23/54/29/237235429.db2.gz XWMWZCISUDYPIV-HNNXBMFYSA-N 0 0 336.413 2.439 10 10 EECERN Cn1nccc1CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000185471669 463829047 /nfs/dbraw/zinc/82/90/47/463829047.db2.gz RORKYFDGONIZLM-KRWDZBQOSA-N 0 0 343.427 2.266 10 10 EECERN Cn1nccc1CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000185471686 463829418 /nfs/dbraw/zinc/82/94/18/463829418.db2.gz RORKYFDGONIZLM-QGZVFWFLSA-N 0 0 343.427 2.266 10 10 EECERN O=C(N[C@H]1CCCOC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000171619263 463892557 /nfs/dbraw/zinc/89/25/57/463892557.db2.gz YTQBNZZKBWTSIX-HOTGVXAUSA-N 0 0 334.416 2.262 10 10 EECERN CCN(CC)c1ccc(CNC(=O)[C@@H]2CSC(=O)N2)cc1F ZINC000172799594 464144475 /nfs/dbraw/zinc/14/44/75/464144475.db2.gz HJIYDLULQWAUDT-LBPRGKRZSA-N 0 0 325.409 2.113 10 10 EECERN CCN(CC)c1ccc(CNC(=O)Nc2ccc(C(N)=O)nc2)cc1 ZINC000179873202 464201903 /nfs/dbraw/zinc/20/19/03/464201903.db2.gz NIFGJINPKMOIHP-UHFFFAOYSA-N 0 0 341.415 2.348 10 10 EECERN COc1nnc(NC(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000282901271 464994558 /nfs/dbraw/zinc/99/45/58/464994558.db2.gz UGOJLCHUCNNLQP-UHFFFAOYSA-N 0 0 325.369 2.074 10 10 EECERN CN(C)c1ccc(CN2C(=O)[C@@H]3[C@@H]4CCC[C@H]4CN3C2=O)cc1F ZINC000372912566 466634938 /nfs/dbraw/zinc/63/49/38/466634938.db2.gz PWICOESRKUZNOX-ZENOOKHLSA-N 0 0 331.391 2.454 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000365978105 467009594 /nfs/dbraw/zinc/00/95/94/467009594.db2.gz UJVCUKFFSRIISR-GALSZHCDSA-N 0 0 332.356 2.132 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)N2CC(CCO)C2)CCCC1 ZINC000651658699 471074273 /nfs/dbraw/zinc/07/42/73/471074273.db2.gz DNJAJMJZHKHSQN-UHFFFAOYSA-N 0 0 342.439 2.370 10 10 EECERN C[C@H](NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(N(C)C)cc1 ZINC000773369702 577337218 /nfs/dbraw/zinc/33/72/18/577337218.db2.gz ITIKBEGYFCCBOR-LBEHMCEESA-N 0 0 344.459 2.122 10 10 EECERN C[C@@H](NC(=O)C(=O)NCc1ccc(Cl)o1)c1ccc(N(C)C)cc1 ZINC000775227571 577433117 /nfs/dbraw/zinc/43/31/17/577433117.db2.gz GXDMPVPPOZDRCV-LLVKDONJSA-N 0 0 349.818 2.493 10 10 EECERN COCc1nc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)co1 ZINC000775820769 577446656 /nfs/dbraw/zinc/44/66/56/577446656.db2.gz USRFNBIFGPPIEJ-CYBMUJFWSA-N 0 0 345.399 2.149 10 10 EECERN C[C@H](NC(=O)NC1CCC(C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000776157225 577453350 /nfs/dbraw/zinc/45/33/50/577453350.db2.gz QZMKTXMVTDZCPA-GRTSSRMGSA-N 0 0 332.448 2.157 10 10 EECERN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(C)Cc2ccccc2O)C1 ZINC000776246251 577455565 /nfs/dbraw/zinc/45/55/65/577455565.db2.gz HDDCAQFEZNWCNY-ZIAGYGMSSA-N 0 0 349.431 2.401 10 10 EECERN CCc1nc(C(=O)NCc2cccc(Br)c2O)no1 ZINC000765752961 577506589 /nfs/dbraw/zinc/50/65/89/577506589.db2.gz KLFBLLZAUPQRGW-UHFFFAOYSA-N 0 0 326.150 2.030 10 10 EECERN Fc1cc(CN2CCC[C@@H]2c2ncon2)ccc1N1CCOCC1 ZINC000769233024 577572967 /nfs/dbraw/zinc/57/29/67/577572967.db2.gz QQWDSRMUXIXNFU-MRXNPFEDSA-N 0 0 332.379 2.382 10 10 EECERN COc1ccc(O)c(CNC(=O)Nc2cnn(C)c2C(F)F)c1 ZINC000760015535 577655956 /nfs/dbraw/zinc/65/59/56/577655956.db2.gz BXEARZAUMCGZBM-UHFFFAOYSA-N 0 0 326.303 2.394 10 10 EECERN Cc1cc(C(=O)OC[C@@H](O)COC(C)C)c(C)n1-c1ccccn1 ZINC000762862348 577709829 /nfs/dbraw/zinc/70/98/29/577709829.db2.gz XEXMIPHCCSWAOK-HNNXBMFYSA-N 0 0 332.400 2.432 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000763620474 577723487 /nfs/dbraw/zinc/72/34/87/577723487.db2.gz RYVWTRGMEKWJQF-MAUKXSAKSA-N 0 0 347.459 2.342 10 10 EECERN O=C(NCCCSc1nccs1)NCc1noc(C2CC2)n1 ZINC000764442123 577735931 /nfs/dbraw/zinc/73/59/31/577735931.db2.gz LTELSONNJLODAI-UHFFFAOYSA-N 0 0 339.446 2.385 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC(OC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000753817829 577794401 /nfs/dbraw/zinc/79/44/01/577794401.db2.gz BKCURSHBWJRBMH-XQRVVYSFSA-N 0 0 348.355 2.313 10 10 EECERN CN(C)c1ccc(CNC(=O)NC2(CO)Cc3ccccc3C2)cc1 ZINC000748656606 577965424 /nfs/dbraw/zinc/96/54/24/577965424.db2.gz STZZEMIUFGCRLW-UHFFFAOYSA-N 0 0 339.439 2.082 10 10 EECERN Cc1cc(C(=O)NC[C@H](O)c2ccccn2)c(C)n1-c1ccccn1 ZINC000749558390 577978151 /nfs/dbraw/zinc/97/81/51/577978151.db2.gz IQHIWLUTESSFSC-KRWDZBQOSA-N 0 0 336.395 2.348 10 10 EECERN CO[C@]1(CO)CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895251212 684386653 /nfs/dbraw/zinc/38/66/53/684386653.db2.gz SXCZHJHRAHFQRQ-CQSZACIVSA-N 0 0 348.212 2.267 10 10 EECERN CCOC(=O)c1nnc([C@@H](C)[NH2+]CC=Cc2ccc(N(C)C)cc2)[n-]1 ZINC000895237430 684342657 /nfs/dbraw/zinc/34/26/57/684342657.db2.gz HCZUVKGIGDFKQG-KTRBRXNASA-N 0 0 343.431 2.411 10 10 EECERN C[N@H+](CCN1CC2(C1)CCOCC2)Cc1cc(F)cc(F)c1[O-] ZINC000895462066 684609052 /nfs/dbraw/zinc/60/90/52/684609052.db2.gz HXBOLBIVPHXIQG-UHFFFAOYSA-N 0 0 326.387 2.215 10 10 EECERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895949068 684785509 /nfs/dbraw/zinc/78/55/09/684785509.db2.gz HDRUXHIDYVUJEI-RKDXNWHRSA-N 0 0 336.413 2.346 10 10 EECERN CCC[C@H]1C(=O)NCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897278108 686470949 /nfs/dbraw/zinc/47/09/49/686470949.db2.gz OYQSPFQHXDJTIK-JTQLQIEISA-N 0 0 334.397 2.053 10 10 EECERN COC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)O1 ZINC000897507414 690775094 /nfs/dbraw/zinc/77/50/94/690775094.db2.gz UFCKOKLFXQWEJV-KOLCDFICSA-N 0 0 337.397 2.188 10 10 EECERN COC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)O1 ZINC000897507416 690775159 /nfs/dbraw/zinc/77/51/59/690775159.db2.gz UFCKOKLFXQWEJV-ONGXEEELSA-N 0 0 337.397 2.188 10 10 EECERN COCC[C@H]1COCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897813713 691779672 /nfs/dbraw/zinc/77/96/72/691779672.db2.gz YPWRJZJCBKUBBT-NSHDSACASA-N 0 0 337.397 2.190 10 10 EECERN O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1cc2cc(O)c(O)cc2s1 ZINC000897945953 691830920 /nfs/dbraw/zinc/83/09/20/691830920.db2.gz JGGCVXXJTJXYRV-MNOVXSKESA-N 0 0 346.408 2.196 10 10 EECERN Oc1cc2c(cc1CN1CCS[C@H](C(F)(F)F)C1)[C@@H](O)CO2 ZINC000905705461 1189875379 /nfs/dbraw/zinc/87/53/79/1189875379.db2.gz NQEAYDMNKHDLKO-AAEUAGOBSA-N 0 0 335.347 2.298 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCCC23CC3)c1 ZINC000863775033 1197864555 /nfs/dbraw/zinc/86/45/55/1197864555.db2.gz HNJWIBMUJFTOGR-LLVKDONJSA-N 0 0 338.429 2.074 10 10 EECERN c1c(COc2ccc(N3CCCC3)cc2)nnn1C[C@@H]1CCOC1 ZINC000871736675 1197866043 /nfs/dbraw/zinc/86/60/43/1197866043.db2.gz UKRWJCMZTGMKLE-HNNXBMFYSA-N 0 0 328.416 2.494 10 10 EECERN O=C(/C=C\COC1CCOCC1)NCCCSc1nccs1 ZINC000865784798 1198374401 /nfs/dbraw/zinc/37/44/01/1198374401.db2.gz JIGCPUHXXUATGM-IWQZZHSRSA-N 0 0 342.486 2.493 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCNC(=O)CC2)cc1 ZINC000814824691 1199748960 /nfs/dbraw/zinc/74/89/60/1199748960.db2.gz GYGZPHOLSWGUTN-INIZCTEOSA-N 0 0 331.460 2.408 10 10 EECERN CC(=O)N1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)Oc2ccccc21 ZINC000871199266 1201096315 /nfs/dbraw/zinc/09/63/15/1201096315.db2.gz ULOZKVLZEDSSQC-SFHVURJKSA-N 0 0 338.363 2.049 10 10 EECERN CNC(=O)c1cccc(CCC(=O)NCc2cccc(OC)c2O)c1 ZINC000134183559 1202287927 /nfs/dbraw/zinc/28/79/27/1202287927.db2.gz JFAKQSSYFJKINX-UHFFFAOYSA-N 0 0 342.395 2.009 10 10 EECERN O=C(NCc1nc2c(s1)COCC2)NCc1c(O)cccc1F ZINC000927697300 1206291968 /nfs/dbraw/zinc/29/19/68/1206291968.db2.gz JSSRHDILDRCWRR-UHFFFAOYSA-N 0 0 337.376 2.060 10 10 EECERN Nc1ccc(NC(=O)C(=O)N2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000927858088 1206310232 /nfs/dbraw/zinc/31/02/32/1206310232.db2.gz KPTKTRPQGALPOC-GFCCVEGCSA-N 0 0 344.440 2.145 10 10 EECERN Cc1cc(C2(C(=O)NCc3c(O)cccc3F)CCOCC2)on1 ZINC000928711068 1206413907 /nfs/dbraw/zinc/41/39/07/1206413907.db2.gz ZQYWTNJUGNXDAP-UHFFFAOYSA-N 0 0 334.347 2.192 10 10 EECERN COc1ccc2c(c1)C[C@H](C(=O)NCc1c(O)cccc1F)CO2 ZINC000928712874 1206414405 /nfs/dbraw/zinc/41/44/05/1206414405.db2.gz ZXQVODSXSXZRIS-LBPRGKRZSA-N 0 0 331.343 2.407 10 10 EECERN C[C@@H](NC(=O)c1cncc(C=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000930743451 1206579407 /nfs/dbraw/zinc/57/94/07/1206579407.db2.gz DJZVMKFVBQJMOO-CQSZACIVSA-N 0 0 339.395 2.222 10 10 EECERN C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000159614932 1208485484 /nfs/dbraw/zinc/48/54/84/1208485484.db2.gz XDIOMWOGDPOBDI-KOLCDFICSA-N 0 0 327.222 2.241 10 10 EECERN CC(C)(C)CC(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779499352 1210395962 /nfs/dbraw/zinc/39/59/62/1210395962.db2.gz LBVDACDMORSGNY-ALCCZGGFSA-N 0 0 346.427 2.218 10 10 EECERN CCN(CC)C(=O)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779505894 1210402124 /nfs/dbraw/zinc/40/21/24/1210402124.db2.gz LIUZUUHDIWTJLV-VURMDHGXSA-N 0 0 346.427 2.218 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCCCNC(=O)c1ccccc1 ZINC000779512075 1210403465 /nfs/dbraw/zinc/40/34/65/1210403465.db2.gz XVYUELZMXLBBAZ-NTMALXAHSA-N 0 0 340.379 2.047 10 10 EECERN COC(=O)[C@@H](NCc1cccc(OC)c1O)c1cccc(OC)c1 ZINC000826986560 1248649656 /nfs/dbraw/zinc/64/96/56/1248649656.db2.gz WDNXKXIMNZGEJA-INIZCTEOSA-N 0 0 331.368 2.413 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]1C(F)F ZINC000801158744 1235151663 /nfs/dbraw/zinc/15/16/63/1235151663.db2.gz KENARVASGROXDU-HOTGVXAUSA-N 0 0 338.398 2.413 10 10 EECERN CN1CCc2c(NC(=O)NCCc3ccc(N)cc3)cccc2C1=O ZINC000850763985 1277333207 /nfs/dbraw/zinc/33/32/07/1277333207.db2.gz LRSAQAZYCVUTKU-UHFFFAOYSA-N 0 0 338.411 2.261 10 10 EECERN COc1ccc(O)c([C@H](C)NCC2=NS(=O)(=O)c3ccccc32)c1 ZINC001192781370 1282166278 /nfs/dbraw/zinc/16/62/78/1282166278.db2.gz VXAVENMGFJXPJM-NSHDSACASA-N 0 0 346.408 2.243 10 10 EECERN CO[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC000851988502 1291944437 /nfs/dbraw/zinc/94/44/37/1291944437.db2.gz ZTLKNDBAEOKQDI-AEFFLSMTSA-N 0 0 347.459 2.138 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](OC)C(C)C)C2)cc1 ZINC000852193866 1292035317 /nfs/dbraw/zinc/03/53/17/1292035317.db2.gz AUECLCFBOBQSBJ-PBHICJAKSA-N 0 0 335.448 2.244 10 10 EECERN COC(=O)N(C)CCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000852262117 1292069881 /nfs/dbraw/zinc/06/98/81/1292069881.db2.gz YYTFAASGBKGXAT-ZDUSSCGKSA-N 0 0 336.436 2.153 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](C(C)C)C3)C2)cc1 ZINC000852454683 1292118952 /nfs/dbraw/zinc/11/89/52/1292118952.db2.gz QMYOKQVGPUMOHH-MAUKXSAKSA-N 0 0 347.459 2.340 10 10 EECERN CN1CC(C[N@H+](C)Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000853553627 1292414846 /nfs/dbraw/zinc/41/48/46/1292414846.db2.gz RCZSHSMYPIINQW-UHFFFAOYSA-N 0 0 340.423 2.322 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000853858535 1292492700 /nfs/dbraw/zinc/49/27/00/1292492700.db2.gz OCJWYFUYZVJDNN-DOUGMWDTSA-N 0 0 332.356 2.254 10 10 EECERN CCN(C(=O)Cc1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCNC1=O ZINC000854338035 1292734279 /nfs/dbraw/zinc/73/42/79/1292734279.db2.gz MEYHFZRBNGAKRM-GOSISDBHSA-N 0 0 339.439 2.374 10 10 EECERN Cc1cc(CC(=O)N[C@]2(C)CCOC2=O)c(C)n1-c1ccccc1 ZINC000854528802 1292833319 /nfs/dbraw/zinc/83/33/19/1292833319.db2.gz AFLSKQLINWOZLW-LJQANCHMSA-N 0 0 326.396 2.458 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3ccccn3)C2)cc1 ZINC000855224218 1293116812 /nfs/dbraw/zinc/11/68/12/1293116812.db2.gz IVHDBXFWLHYNPJ-INIZCTEOSA-N 0 0 325.412 2.418 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC(=O)[C@H]3C)C2)cc1 ZINC000855226049 1293118917 /nfs/dbraw/zinc/11/89/17/1293118917.db2.gz PQTURIKIPZAZOR-KKUMJFAQSA-N 0 0 330.428 2.395 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cccnc3OC)C2)cc1 ZINC000855230879 1293120723 /nfs/dbraw/zinc/12/07/23/1293120723.db2.gz FXJGTWRXYMFUQM-CYBMUJFWSA-N 0 0 327.384 2.108 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)nn(C)c3Cl)C2)cc1 ZINC000855229710 1293120912 /nfs/dbraw/zinc/12/09/12/1293120912.db2.gz POGJYUTUVRAAFD-GFCCVEGCSA-N 0 0 348.834 2.399 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)COc3ccccc3O)C2)cc1 ZINC000855234587 1293122982 /nfs/dbraw/zinc/12/29/82/1293122982.db2.gz FTMPGXRPTAACDU-AWEZNQCLSA-N 0 0 342.395 2.175 10 10 EECERN O=C(N[C@@H](c1ccncc1)C1(CO)CCC1)c1cccc(O)c1O ZINC000856456472 1293533812 /nfs/dbraw/zinc/53/38/12/1293533812.db2.gz YDRMISDBXKFQAW-INIZCTEOSA-N 0 0 328.368 2.127 10 10 EECERN COC(=O)C(C)(C)n1ccc(NC(=O)NCc2cc(C)ccc2O)n1 ZINC000861214033 1295292193 /nfs/dbraw/zinc/29/21/93/1295292193.db2.gz TYKRCHYWSZDKMB-UHFFFAOYSA-N 0 0 346.387 2.127 10 10 EECERN Cc1cc(CC(=O)NC[C@H](O)[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000862654109 1295917658 /nfs/dbraw/zinc/91/76/58/1295917658.db2.gz MAGPUDUYYLFQEU-OALUTQOASA-N 0 0 342.439 2.293 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000839954758 1315263748 /nfs/dbraw/zinc/26/37/48/1315263748.db2.gz FVBQEKQWETWGIQ-PKOBYXMFSA-N 0 0 343.471 2.171 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC1(CO)CC1 ZINC000840481133 1315369159 /nfs/dbraw/zinc/36/91/59/1315369159.db2.gz GQPPXHYGXBWKOC-HNNXBMFYSA-N 0 0 333.476 2.406 10 10 EECERN Cc1cc(Br)cc(CN2CCO[C@@H]([C@H](C)O)C2)c1O ZINC000840977454 1315450553 /nfs/dbraw/zinc/45/05/53/1315450553.db2.gz HYHBHXPICWOCFG-GXFFZTMASA-N 0 0 330.222 2.045 10 10 EECERN Cc1nc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccc(N)cc2)no1 ZINC000841114951 1315478750 /nfs/dbraw/zinc/47/87/50/1315478750.db2.gz OFJXQTYPTOWZDN-CQSZACIVSA-N 0 0 343.387 2.043 10 10 EECERN Cn1cnc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)nc21 ZINC001142465384 1315619573 /nfs/dbraw/zinc/61/95/73/1315619573.db2.gz ILOSITPVNKDILU-UHFFFAOYSA-N 0 0 335.411 2.281 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1 ZINC000842920576 1315798856 /nfs/dbraw/zinc/79/88/56/1315798856.db2.gz SAFZWRSDFHWLPA-SGTLLEGYSA-N 0 0 337.416 2.007 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(C=O)s1 ZINC001299698480 1319950275 /nfs/dbraw/zinc/95/02/75/1319950275.db2.gz IVPVCFWVXAVWQZ-UHFFFAOYSA-N 0 0 347.392 2.472 10 10 EECERN COC(=O)[C@@H]1CN(C(=O)/C=C\c2cccnc2C)c2ccccc2O1 ZINC001264349807 1322671624 /nfs/dbraw/zinc/67/16/24/1322671624.db2.gz DEIHDIVPKWDARO-IBSYWUHOSA-N 0 0 338.363 2.370 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC001297562504 1329983866 /nfs/dbraw/zinc/98/38/66/1329983866.db2.gz MJFFYXCDSIJISS-CHWSQXEVSA-N 0 0 328.405 2.078 10 10 EECERN COC(=O)c1ccc(CCC(=O)NCc2cccc(O)c2O)cc1 ZINC001303193134 1331347935 /nfs/dbraw/zinc/34/79/35/1331347935.db2.gz HLWPMOIYXFANFZ-UHFFFAOYSA-N 0 0 329.352 2.133 10 10 EECERN COc1cccc2[nH]cc(CCNC(=O)Cc3ccc(O)c(O)c3)c21 ZINC001303452103 1331354160 /nfs/dbraw/zinc/35/41/60/1331354160.db2.gz GYIQNSLMYTYRCL-UHFFFAOYSA-N 0 0 340.379 2.489 10 10 EECERN C[C@H]([NH2+]CCOCCCO)c1cc(Br)c(F)cc1[O-] ZINC001322451947 1333265371 /nfs/dbraw/zinc/26/53/71/1333265371.db2.gz LRJXEBVJXONFBW-VIFPVBQESA-N 0 0 336.201 2.343 10 10 EECERN C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC001323501296 1333477731 /nfs/dbraw/zinc/47/77/31/1333477731.db2.gz LIIBFHLDKOJMSI-HEHGZKQESA-N 0 0 335.423 2.136 10 10 EECERN O=C([O-])[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1CC1 ZINC001326705260 1334146986 /nfs/dbraw/zinc/14/69/86/1334146986.db2.gz UKNFIUFWWGYYGC-OAHLLOKOSA-N 0 0 336.407 2.253 10 10 EECERN CCOc1ccc(N2CCN(C[C@H]3CN(CC)C(=O)O3)CC2)cc1 ZINC001326715376 1334148648 /nfs/dbraw/zinc/14/86/48/1334148648.db2.gz BCZGTJYDRLFRFB-KRWDZBQOSA-N 0 0 333.432 2.048 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@H]2CNC(=O)c3ccccc32)cc1F ZINC001328740326 1334512289 /nfs/dbraw/zinc/51/22/89/1334512289.db2.gz JGVYZENVQKUNRD-HNNXBMFYSA-N 0 0 341.386 2.035 10 10 EECERN O=C(C(=O)N1Cc2cccc(O)c2C1)N(Cc1ccccc1)C1CC1 ZINC001329333368 1334629288 /nfs/dbraw/zinc/62/92/88/1334629288.db2.gz UNXDEKJBDVEYMB-UHFFFAOYSA-N 0 0 336.391 2.426 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1C2CCC1(CO)CC2 ZINC001350875857 1337764831 /nfs/dbraw/zinc/76/48/31/1337764831.db2.gz FHFIGJIXKADHHI-UHFFFAOYSA-N 0 0 327.428 2.262 10 10 EECERN C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC12CCC2 ZINC001351923704 1337868138 /nfs/dbraw/zinc/86/81/38/1337868138.db2.gz XWXDKSZTBJXDAH-ZDUSSCGKSA-N 0 0 328.412 2.273 10 10 EECERN C[C@@H](NC(=O)CN1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000847393750 1338024414 /nfs/dbraw/zinc/02/44/14/1338024414.db2.gz PTYDXZOHJHXUFN-OAHLLOKOSA-N 0 0 331.460 2.042 10 10 EECERN COc1ccc(N2CC[C@@H](NS(=O)(=O)CC(C)(C)C)C2)cc1 ZINC000849416936 1339156253 /nfs/dbraw/zinc/15/62/53/1339156253.db2.gz ZICBSQHHRAXGHS-CYBMUJFWSA-N 0 0 326.462 2.239 10 10 EECERN COc1cc(OC)nc(C(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001597741733 1349931019 /nfs/dbraw/zinc/93/10/19/1349931019.db2.gz AQXBDDCDHFAETE-UHFFFAOYSA-N 0 0 339.351 2.283 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001622664254 1352387318 /nfs/dbraw/zinc/38/73/18/1352387318.db2.gz NCYGNOVOCPSUOE-ZIAGYGMSSA-N 0 0 328.324 2.426 10 10 EECERN CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001624701093 1352427995 /nfs/dbraw/zinc/42/79/95/1352427995.db2.gz GGLKMQQJPOXQBD-CYBMUJFWSA-N 0 0 347.375 2.200 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cccc(N2CCCC2=O)c1 ZINC001626837902 1352475121 /nfs/dbraw/zinc/47/51/21/1352475121.db2.gz JRFWHYIHUMUQTE-UHFFFAOYSA-N 0 0 326.352 2.155 10 10 EECERN CS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001628666640 1352539965 /nfs/dbraw/zinc/53/99/65/1352539965.db2.gz HHSXCLMDHDGORZ-UHFFFAOYSA-N 0 0 339.800 2.379 10 10 EECERN CN(C(=O)Cc1ccc(O)c(O)c1)C1CCN(CC(F)(F)F)CC1 ZINC001629902303 1352560157 /nfs/dbraw/zinc/56/01/57/1352560157.db2.gz ILOZZWFYUVNGSR-UHFFFAOYSA-N 0 0 346.349 2.125 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cn(-c2ccccc2)nn1 ZINC001630527631 1352570341 /nfs/dbraw/zinc/57/03/41/1352570341.db2.gz LXRUSCOETPNIPL-UHFFFAOYSA-N 0 0 345.362 2.451 10 10 EECERN COc1ccc(CCC(=O)NCc2cc(O)ccc2O)cc1OC ZINC001637122698 1352672118 /nfs/dbraw/zinc/67/21/18/1352672118.db2.gz NCUGNNJKJVIDDK-UHFFFAOYSA-N 0 0 331.368 2.364 10 10 EECERN Cc1nc2ccnn2c(C)c1CCC(=O)NCc1cc(O)ccc1O ZINC001644752855 1352768193 /nfs/dbraw/zinc/76/81/93/1352768193.db2.gz XSWASCJPVAVMCV-UHFFFAOYSA-N 0 0 340.383 2.006 10 10 EECERN CC(C)C(=O)Nc1cc(C(=O)NCc2cc(O)ccc2O)ccn1 ZINC001644754441 1352769046 /nfs/dbraw/zinc/76/90/46/1352769046.db2.gz WZQJRBZJAOGYOH-UHFFFAOYSA-N 0 0 329.356 2.017 10 10 EECERN Cc1nc([C@H]2CCOC2)sc1C(=O)NCc1c(O)cccc1O ZINC001645363145 1352776969 /nfs/dbraw/zinc/77/69/69/1352776969.db2.gz NOQQHAKSLWPRSL-JTQLQIEISA-N 0 0 334.397 2.297 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001650962192 1354035496 /nfs/dbraw/zinc/03/54/96/1354035496.db2.gz NDIUGOOKYUQLBV-MRXNPFEDSA-N 0 0 337.379 2.395 10 10 EECERN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CCc2nncn2CC1 ZINC001652708750 1354099856 /nfs/dbraw/zinc/09/98/56/1354099856.db2.gz LFVQNEXQHRPXAB-CQSZACIVSA-N 0 0 336.395 2.406 10 10 EECERN COC(=O)[C@@H]1O[C@@H](C(=O)NCc2c(O)ccc3ccccc32)C[C@H]1C ZINC001652708718 1354099902 /nfs/dbraw/zinc/09/99/02/1354099902.db2.gz KEJZARURDCFWGB-SSKCKEOISA-N 0 0 343.379 2.128 10 10 EECERN COc1ccc(O)c(CNC(=O)NCCCc2c(C)nn(C)c2C)c1 ZINC000183629217 781401938 /nfs/dbraw/zinc/40/19/38/781401938.db2.gz OIVJJWGKMLHVFY-UHFFFAOYSA-N 0 0 346.431 2.183 10 10 EECERN CCn1nc(C)cc1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582276 785593936 /nfs/dbraw/zinc/59/39/36/785593936.db2.gz JRSUNKMXWBVYAM-HNNXBMFYSA-N 0 0 342.443 2.476 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3ncc(C)cc3O)C2)cc1 ZINC000819588717 785597679 /nfs/dbraw/zinc/59/76/79/785597679.db2.gz NYWUKWMLEMIKCN-CQSZACIVSA-N 0 0 341.411 2.361 10 10 EECERN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(O)cc3O)CC2=O)cc1 ZINC000910953305 787133518 /nfs/dbraw/zinc/13/35/18/787133518.db2.gz ABQAYGXEHRDXGR-AWEZNQCLSA-N 0 0 340.379 2.076 10 10 EECERN CN(C)c1ccc(CNC2(c3ncccn3)CCOCC2)cc1F ZINC000923010128 788550071 /nfs/dbraw/zinc/55/00/71/788550071.db2.gz VMOCHTWMMJCKJK-UHFFFAOYSA-N 0 0 330.407 2.477 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)[C@@H]1SC ZINC000923038606 788661387 /nfs/dbraw/zinc/66/13/87/788661387.db2.gz YLYCMMZBGQCXPJ-BNOWGMLFSA-N 0 0 328.409 2.240 10 10 EECERN CCC[C@@H](O)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000923185948 789081754 /nfs/dbraw/zinc/08/17/54/789081754.db2.gz GTUFWBZYNWXNEG-GOEBONIOSA-N 0 0 335.448 2.124 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)c2cn[nH]c2)cc1 ZINC000845078091 789547042 /nfs/dbraw/zinc/54/70/42/789547042.db2.gz QCRKPXRJFNTNNI-CYBMUJFWSA-N 0 0 331.420 2.257 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2COCC2(C)C)cc1 ZINC000845243059 789690748 /nfs/dbraw/zinc/69/07/48/789690748.db2.gz XFQBWAQWENQRGU-MRXNPFEDSA-N 0 0 335.448 2.198 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)NCC[C@@]2(O)CCOC2)cc1 ZINC000845447195 789781302 /nfs/dbraw/zinc/78/13/02/789781302.db2.gz ASNFLZROSJSZCT-LJQANCHMSA-N 0 0 349.475 2.216 10 10 EECERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C ZINC000845759924 789936256 /nfs/dbraw/zinc/93/62/56/789936256.db2.gz YHXJCRVSORUCIP-HNNXBMFYSA-N 0 0 341.411 2.310 10 10 EECERN CCc1ccncc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000845848564 789975819 /nfs/dbraw/zinc/97/58/19/789975819.db2.gz DJVZGTSVMARORF-UHFFFAOYSA-N 0 0 344.390 2.104 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1nc(C(F)(F)F)cs1 ZINC001147757942 791928177 /nfs/dbraw/zinc/92/81/77/791928177.db2.gz NKUKRFJHVOXEAC-UHFFFAOYSA-N 0 0 332.303 2.432 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)C(C)C)c1 ZINC000153851685 797509654 /nfs/dbraw/zinc/50/96/54/797509654.db2.gz YUGABHWAVXSNSK-IUODEOHRSA-N 0 0 334.416 2.225 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001176754521 798570382 /nfs/dbraw/zinc/57/03/82/798570382.db2.gz FKWQSLIWXPPCHX-UHFFFAOYSA-N 0 0 339.307 2.484 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787408036 807118824 /nfs/dbraw/zinc/11/88/24/807118824.db2.gz SCKHTORMHODGBQ-PIIMJCKOSA-N 0 0 329.444 2.463 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C\c1ncc(C(F)(F)F)s1 ZINC000788349628 807485016 /nfs/dbraw/zinc/48/50/16/807485016.db2.gz MFUZRUDDTSSGJQ-ALCCZGGFSA-N 0 0 349.359 2.464 10 10 EECERN C[C@H]1CC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000805864417 811591457 /nfs/dbraw/zinc/59/14/57/811591457.db2.gz VBGKAYMQBUBNEF-BLLLJJGKSA-N 0 0 335.423 2.385 10 10 EECERN CC(=O)C(=O)COC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000808504359 812676234 /nfs/dbraw/zinc/67/62/34/812676234.db2.gz CTUCTWTUZYHALC-UHFFFAOYSA-N 0 0 327.174 2.428 10 10 EECERN CC(=O)C(=O)COC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000808521140 812690359 /nfs/dbraw/zinc/69/03/59/812690359.db2.gz IPCBMKXSDHESGD-UHFFFAOYSA-N 0 0 325.748 2.249 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cncnc2N)c1 ZINC001445902389 1091828617 /nfs/dbraw/zinc/82/86/17/1091828617.db2.gz PJDJDELTEJMZLY-UHFFFAOYSA-N 0 0 349.394 2.209 10 10 EECERN O=C(NCc1cccc(O)c1O)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001455315927 1108423358 /nfs/dbraw/zinc/42/33/58/1108423358.db2.gz LWYCWNGLKCIMQS-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(N2CCCC2=O)c1 ZINC001463739057 1110379725 /nfs/dbraw/zinc/37/97/25/1110379725.db2.gz ZKUSXLMWFPPSFF-UHFFFAOYSA-N 0 0 326.352 2.406 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C)CCN(C)C1=O ZINC001463815325 1110381217 /nfs/dbraw/zinc/38/12/17/1110381217.db2.gz YECLVTHQILUIAT-IBGZPJMESA-N 0 0 329.444 2.114 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)Cc2nc[nH]n2)c1 ZINC001467516749 1110457696 /nfs/dbraw/zinc/45/76/96/1110457696.db2.gz LXQHBKVCIKYRNO-UHFFFAOYSA-N 0 0 337.383 2.297 10 10 EECERN CCOC(=O)c1[nH]c(C)c(C(=O)NCc2cc(O)ccc2O)c1C ZINC001471660636 1110527537 /nfs/dbraw/zinc/52/75/37/1110527537.db2.gz FWCJFSOVJDBLRP-UHFFFAOYSA-N 0 0 332.356 2.149 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC1(O)CCOCC1 ZINC001539474207 1124058045 /nfs/dbraw/zinc/05/80/45/1124058045.db2.gz GYLIPZVEPKAEIP-UHFFFAOYSA-N 0 0 332.444 2.177 10 10 EECERN Cn1cnc2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)nc21 ZINC001545639706 1124200217 /nfs/dbraw/zinc/20/02/17/1124200217.db2.gz ZQGNGMSTKFPMJF-UHFFFAOYSA-N 0 0 336.395 2.483 10 10 EECERN CCOCCn1c(COCC)nnc1N(C)Cc1ccccc1O ZINC001548275875 1124256096 /nfs/dbraw/zinc/25/60/96/1124256096.db2.gz BUZJAHZTXPLQHN-UHFFFAOYSA-N 0 0 334.420 2.193 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000377160424 277306721 /nfs/dbraw/zinc/30/67/21/277306721.db2.gz CYHXLWCUWRXNBS-GQCTYLIASA-N 0 0 332.356 2.398 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277408587 463914085 /nfs/dbraw/zinc/91/40/85/463914085.db2.gz FZXXQSAEMOAAGO-YZFRKGMMSA-N 0 0 345.317 2.273 10 10 EECERN C[C@@H]1CN(c2ccc(CNC(=O)N3CCCO3)cc2F)C[C@@H](C)O1 ZINC000284008421 464067212 /nfs/dbraw/zinc/06/72/12/464067212.db2.gz IUAZDROQHMUKTE-CHWSQXEVSA-N 0 0 337.395 2.286 10 10 EECERN CO[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000290948881 464138694 /nfs/dbraw/zinc/13/86/94/464138694.db2.gz MKPMXJHMKSSXOE-CABCVRRESA-N 0 0 349.475 2.118 10 10 EECERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000264426217 464321333 /nfs/dbraw/zinc/32/13/33/464321333.db2.gz JQOUVKFYPWEOFT-GXTWGEPZSA-N 0 0 336.457 2.298 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000180768714 464390398 /nfs/dbraw/zinc/39/03/98/464390398.db2.gz DGSOZFSLZRYLTF-HEWZJLJBSA-N 0 0 338.363 2.033 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000180768736 464390471 /nfs/dbraw/zinc/39/04/71/464390471.db2.gz DGSOZFSLZRYLTF-LOWQCSRCSA-N 0 0 338.363 2.033 10 10 EECERN CN(C)c1ccc(CNC(=O)NC[C@@H](CO)c2ccccc2)cc1 ZINC000175184451 464499812 /nfs/dbraw/zinc/49/98/12/464499812.db2.gz QQYOJCZNYRUVJT-KRWDZBQOSA-N 0 0 327.428 2.328 10 10 EECERN COc1ccc(N(C)CC(=O)N2CCOC[C@H]2C2CC2)cc1Cl ZINC000367351243 466282148 /nfs/dbraw/zinc/28/21/48/466282148.db2.gz FDUOQWYSQMAWOT-HNNXBMFYSA-N 0 0 338.835 2.422 10 10 EECERN COc1cc(O)c(CN[C@@H](c2nc[nH]n2)c2ccccc2)cc1OC ZINC000372927270 466640521 /nfs/dbraw/zinc/64/05/21/466640521.db2.gz UYHARZOKUZOJKC-QGZVFWFLSA-N 0 0 340.383 2.407 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000365446484 466820005 /nfs/dbraw/zinc/82/00/05/466820005.db2.gz HHGNAKSZGVVWKV-JJTKIYQPSA-N 0 0 341.455 2.365 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1cnc2c1CCCC2 ZINC000574206339 469270157 /nfs/dbraw/zinc/27/01/57/469270157.db2.gz VAPSDLJMVOOAQD-UHFFFAOYSA-N 0 0 340.427 2.254 10 10 EECERN COc1ccc2c(c1)c1c(n2CC(=O)NC2(CO)CC2)CCCC1 ZINC000651571034 471039774 /nfs/dbraw/zinc/03/97/74/471039774.db2.gz XPLQILFHACGKQU-UHFFFAOYSA-N 0 0 328.412 2.170 10 10 EECERN C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC000669209257 471420702 /nfs/dbraw/zinc/42/07/02/471420702.db2.gz DPILARLYBXFWND-LBPRGKRZSA-N 0 0 336.395 2.309 10 10 EECERN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000091989949 534218574 /nfs/dbraw/zinc/21/85/74/534218574.db2.gz ALHAJBGLRROAKZ-WDEREUQCSA-N 0 0 326.418 2.024 10 10 EECERN CC1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)COC1 ZINC000112753295 527946419 /nfs/dbraw/zinc/94/64/19/527946419.db2.gz CACLBIMAKZPZSM-OAHLLOKOSA-N 0 0 334.416 2.119 10 10 EECERN Cc1cc(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000772175328 577255796 /nfs/dbraw/zinc/25/57/96/577255796.db2.gz GJACYYRFJGEWHA-UHFFFAOYSA-N 0 0 337.173 2.191 10 10 EECERN COc1ccc(O)c(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 ZINC000775718786 577443669 /nfs/dbraw/zinc/44/36/69/577443669.db2.gz OXBIAHLZWVUNBW-KRWDZBQOSA-N 0 0 348.443 2.004 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000768388431 577554828 /nfs/dbraw/zinc/55/48/28/577554828.db2.gz YUGCZVRMAYLNHY-JTQLQIEISA-N 0 0 348.371 2.071 10 10 EECERN CO[C@@]1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CCOC1 ZINC000763481452 577721814 /nfs/dbraw/zinc/72/18/14/577721814.db2.gz VJCIERRSVZGGHF-CQSZACIVSA-N 0 0 330.222 2.358 10 10 EECERN COc1cccc(CS(=O)(=O)NCc2cccc(OC)c2O)c1 ZINC000751309188 577750500 /nfs/dbraw/zinc/75/05/00/577750500.db2.gz IIJCCEQJMSLKDR-UHFFFAOYSA-N 0 0 337.397 2.029 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC(OC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000753817828 577794351 /nfs/dbraw/zinc/79/43/51/577794351.db2.gz BKCURSHBWJRBMH-GQCTYLIASA-N 0 0 348.355 2.313 10 10 EECERN COC(=O)C=Cc1ccc(N2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000750566741 577995437 /nfs/dbraw/zinc/99/54/37/577995437.db2.gz LNZXARPJCFCMJG-HYXAFXHYSA-N 0 0 328.328 2.067 10 10 EECERN CSCCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000736004313 578176513 /nfs/dbraw/zinc/17/65/13/578176513.db2.gz GMECTTABECMUPS-UHFFFAOYSA-N 0 0 326.437 2.422 10 10 EECERN COc1cc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c(O)cc1C ZINC000160262729 675212099 /nfs/dbraw/zinc/21/20/99/675212099.db2.gz XSPPBOWOFOMNPC-KRWDZBQOSA-N 0 0 345.443 2.424 10 10 EECERN O=C(CC1(O)CCCC1)NCc1cc(Br)ccc1O ZINC000804736389 675610645 /nfs/dbraw/zinc/61/06/45/675610645.db2.gz QUVNHSUHPKYWNG-UHFFFAOYSA-N 0 0 328.206 2.466 10 10 EECERN CC(=O)C(=O)COC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000924422189 678379698 /nfs/dbraw/zinc/37/96/98/678379698.db2.gz CGGLROVKFGMCKU-SFHVURJKSA-N 0 0 334.368 2.102 10 10 EECERN Oc1ccc(F)cc1CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000180002923 683975223 /nfs/dbraw/zinc/97/52/23/683975223.db2.gz WSXPNYMWKNDMGC-UHFFFAOYSA-N 0 0 340.349 2.441 10 10 EECERN COc1cccc(CNC(=O)C[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000896117124 684841340 /nfs/dbraw/zinc/84/13/40/684841340.db2.gz ODWBBZZZRYUNAX-HNNXBMFYSA-N 0 0 349.427 2.383 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C(N)=O)C3)cc2)CC1 ZINC000896265506 684922117 /nfs/dbraw/zinc/92/21/17/684922117.db2.gz PKQLXDRQKAPBTM-DLBZAZTESA-N 0 0 343.471 2.441 10 10 EECERN CC(C)N1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O ZINC000896375157 684958293 /nfs/dbraw/zinc/95/82/93/684958293.db2.gz FDVDWIDJKAHXCG-SNVBAGLBSA-N 0 0 334.397 2.052 10 10 EECERN CCOC(=O)CN1c2ccccc2/C(=C\c2nn(CC)nc2C)C1=O ZINC000840734905 688791286 /nfs/dbraw/zinc/79/12/86/688791286.db2.gz KMTLQVRLMKAFHK-GXDHUFHOSA-N 0 0 340.383 2.057 10 10 EECERN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(OC)OC ZINC000897565520 691619944 /nfs/dbraw/zinc/61/99/44/691619944.db2.gz MSEDMNHNEIVELS-VIFPVBQESA-N 0 0 325.386 2.440 10 10 EECERN COc1ccc(CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)c(O)c1 ZINC000897628629 691709882 /nfs/dbraw/zinc/70/98/82/691709882.db2.gz GRYVCXWQPRIMDG-AWEZNQCLSA-N 0 0 334.416 2.054 10 10 EECERN CCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(O)c(O)c3)ccc21 ZINC001545669088 1189907950 /nfs/dbraw/zinc/90/79/50/1189907950.db2.gz JWNXJVDBJILKAK-UHFFFAOYSA-N 0 0 341.367 2.146 10 10 EECERN COc1ccc(CNC(=O)c2cc(-c3ccncc3)nn2C)c(O)c1 ZINC001626080187 1194327708 /nfs/dbraw/zinc/32/77/08/1194327708.db2.gz ZXJWTYOCKHZADB-UHFFFAOYSA-N 0 0 338.367 2.126 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](Cc2cncs2)C1=O ZINC000871899182 1197960771 /nfs/dbraw/zinc/96/07/71/1197960771.db2.gz LGAIZNMANXXGSV-HNNXBMFYSA-N 0 0 344.440 2.181 10 10 EECERN O=C1/C(=C\c2cn(C[C@H]3CCOC3)nn2)c2cccc3c2N1CCC3 ZINC000865225762 1198131123 /nfs/dbraw/zinc/13/11/23/1198131123.db2.gz IZTKFWICRBWBDA-ZLYHGVDXSA-N 0 0 336.395 2.148 10 10 EECERN CO[C@H]1CN2C(=O)N(Cc3ccc(N(C)C)cc3C)C(=O)[C@]2(C)C1 ZINC000865302968 1198160143 /nfs/dbraw/zinc/16/01/43/1198160143.db2.gz AYRJJOAZZKNDCK-QAPCUYQASA-N 0 0 331.416 2.003 10 10 EECERN CCc1nnc(CNCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000810176788 1199332151 /nfs/dbraw/zinc/33/21/51/1199332151.db2.gz WMHDGWHKEUSJKI-UHFFFAOYSA-N 0 0 336.436 2.366 10 10 EECERN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCC1(F)F ZINC000811848747 1200376984 /nfs/dbraw/zinc/37/69/84/1200376984.db2.gz ROWQAXSXGXJZSU-MRVPVSSYSA-N 0 0 327.287 2.407 10 10 EECERN COC[C@@H](C)NC(=S)NCc1cc(Br)ccc1O ZINC000795154744 1201007716 /nfs/dbraw/zinc/00/77/16/1201007716.db2.gz UBTAYKWGEXNNNL-MRVPVSSYSA-N 0 0 333.251 2.154 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC(C2CC2)C1 ZINC000813042126 1201080970 /nfs/dbraw/zinc/08/09/70/1201080970.db2.gz GLNSHTSGOYZUHD-UHFFFAOYSA-N 0 0 347.434 2.338 10 10 EECERN CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000813047484 1201085187 /nfs/dbraw/zinc/08/51/87/1201085187.db2.gz PCMQFFLPFFCYMJ-CRAIPNDOSA-N 0 0 347.459 2.405 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4CSC[C@@H]4C3)cc2N1 ZINC000866204143 1201464131 /nfs/dbraw/zinc/46/41/31/1201464131.db2.gz VHNJBJVDGVFVBA-UWVGGRQHSA-N 0 0 335.385 2.115 10 10 EECERN COc1ccc(CNC(=O)NCc2nn(C)cc2C(F)F)c(O)c1 ZINC000869111658 1201942848 /nfs/dbraw/zinc/94/28/48/1201942848.db2.gz HLYYGPRQHLCTON-UHFFFAOYSA-N 0 0 340.330 2.071 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)c2ccnn2C)cc1 ZINC000869184959 1201957970 /nfs/dbraw/zinc/95/79/70/1201957970.db2.gz YKIARTPHEIBECF-CQSZACIVSA-N 0 0 345.447 2.268 10 10 EECERN CC(=O)C(=O)COC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000885029147 1202384145 /nfs/dbraw/zinc/38/41/45/1202384145.db2.gz QOJPSQXDDVUOQY-ZDUSSCGKSA-N 0 0 343.420 2.263 10 10 EECERN CCN1C(=O)/C(=C/c2c3c(nn2C)CCSC3)SC1=S ZINC000887274440 1204251987 /nfs/dbraw/zinc/25/19/87/1204251987.db2.gz SMPDEUFOGZTHSZ-WDZFZDKYSA-N 0 0 325.484 2.431 10 10 EECERN Nc1ccc(CCNC(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)cc1 ZINC000926215354 1206204758 /nfs/dbraw/zinc/20/47/58/1206204758.db2.gz QRHGWAJUTTYVOI-DGCLKSJQSA-N 0 0 331.338 2.078 10 10 EECERN O=C(NCc1noc2c1COCC2)NCc1cc(Cl)ccc1O ZINC000927891077 1206313379 /nfs/dbraw/zinc/31/33/79/1206313379.db2.gz LTHNSTMYMCYATN-UHFFFAOYSA-N 0 0 337.763 2.106 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cc(F)ccc1N1CCOCC1 ZINC000928710411 1206413919 /nfs/dbraw/zinc/41/39/19/1206413919.db2.gz DCKGMIHSJNYFDO-UHFFFAOYSA-N 0 0 348.349 2.437 10 10 EECERN C[C@@](NCc1ccc(N2CCOCC2)cc1)(C(N)=O)c1ccccc1 ZINC000929924363 1206518036 /nfs/dbraw/zinc/51/80/36/1206518036.db2.gz GGWPLTSVYNXPCH-FQEVSTJZSA-N 0 0 339.439 2.014 10 10 EECERN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)Cc2c[nH]nc21 ZINC000931454639 1207384846 /nfs/dbraw/zinc/38/48/46/1207384846.db2.gz ZBBNBWZXZWLACW-AWEZNQCLSA-N 0 0 341.459 2.053 10 10 EECERN Cn1cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c(Br)n1 ZINC000720657854 1217266453 /nfs/dbraw/zinc/26/64/53/1217266453.db2.gz VLXMTEWZYRKTPV-UHFFFAOYSA-N 0 0 332.148 2.456 10 10 EECERN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724571745 1230666022 /nfs/dbraw/zinc/66/60/22/1230666022.db2.gz WHSXEYYSBMXZNP-MDZLAQPJSA-N 0 0 328.206 2.048 10 10 EECERN c1c([C@H]2CCCCO2)nnn1Cc1ccc(N2CCOCC2)cc1 ZINC000900605587 1234553006 /nfs/dbraw/zinc/55/30/06/1234553006.db2.gz UAHLTDZNTVCCNT-GOSISDBHSA-N 0 0 328.416 2.405 10 10 EECERN O=C(C[C@H]1CCC2(CCOCC2)CO1)NCc1ccc(O)c(O)c1 ZINC000901131623 1235261834 /nfs/dbraw/zinc/26/18/34/1235261834.db2.gz MPWKARGFVAXXQA-CQSZACIVSA-N 0 0 335.400 2.080 10 10 EECERN CCCCN(Cc1ccccc1O)C(=O)c1cc(C(N)=O)cn1C ZINC000801545993 1235815930 /nfs/dbraw/zinc/81/59/30/1235815930.db2.gz HBIANOYWENFTAI-UHFFFAOYSA-N 0 0 329.400 2.272 10 10 EECERN Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccc(O)c(O)c3)c2n1 ZINC001137443642 1248460507 /nfs/dbraw/zinc/46/05/07/1248460507.db2.gz XJVFOUZEHTXZFS-UHFFFAOYSA-N 0 0 348.309 2.317 10 10 EECERN OC1CCN(c2ccc(CNCc3cc4n(n3)CCC4)cc2F)CC1 ZINC000850072964 1277017610 /nfs/dbraw/zinc/01/76/10/1277017610.db2.gz RZWACHKOFGNYET-UHFFFAOYSA-N 0 0 344.434 2.219 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCC3(OC)CCC3)C2)cc1 ZINC000852246506 1292061991 /nfs/dbraw/zinc/06/19/91/1292061991.db2.gz ANJWGZVFZKPOSL-CQSZACIVSA-N 0 0 333.432 2.142 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000852455600 1292118675 /nfs/dbraw/zinc/11/86/75/1292118675.db2.gz UWXPBNKZTAQZGD-QLFBSQMISA-N 0 0 333.432 2.093 10 10 EECERN CCOC[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854299224 1292709842 /nfs/dbraw/zinc/70/98/42/1292709842.db2.gz GQTNUBFETCAWEB-JKSUJKDBSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N(CC(C)(C)O)C3CC3)C2)cc1 ZINC000854298388 1292709955 /nfs/dbraw/zinc/70/99/55/1292709955.db2.gz CCGZEEDFAPTPFG-CQSZACIVSA-N 0 0 347.459 2.219 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@]3(C)CCCOC3)C2)cc1 ZINC000854298652 1292710140 /nfs/dbraw/zinc/71/01/40/1292710140.db2.gz HUVYLNCVLSDYBG-RDTXWAMCSA-N 0 0 333.432 2.142 10 10 EECERN Cc1ccc(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)c(O)c1O ZINC000855120626 1293078867 /nfs/dbraw/zinc/07/88/67/1293078867.db2.gz MCILATUIVKFFRD-KRWDZBQOSA-N 0 0 349.427 2.094 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000855223617 1293116703 /nfs/dbraw/zinc/11/67/03/1293116703.db2.gz HAQMLGDBQLWABH-HDMKZQKVSA-N 0 0 332.444 2.331 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)[nH]c(=O)c3)C2)cc1 ZINC000855225457 1293117419 /nfs/dbraw/zinc/11/74/19/1293117419.db2.gz JGRXGANTFLCQOU-AWEZNQCLSA-N 0 0 327.384 2.113 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)CCc3ccc(=O)[nH]c3)C2)cc1 ZINC000855226872 1293118844 /nfs/dbraw/zinc/11/88/44/1293118844.db2.gz TXQOCGXYPDJQFD-OAHLLOKOSA-N 0 0 341.411 2.124 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(CO)c(F)c3)C2)cc1 ZINC000855226891 1293118956 /nfs/dbraw/zinc/11/89/56/1293118956.db2.gz UCJGYBPRCROJFW-HNNXBMFYSA-N 0 0 344.386 2.335 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(OC)nc3)C2)cc1 ZINC000855228411 1293119555 /nfs/dbraw/zinc/11/95/55/1293119555.db2.gz BXGBUOOBNGMSRJ-AWEZNQCLSA-N 0 0 327.384 2.108 10 10 EECERN COC(=O)CCCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227863 1293120084 /nfs/dbraw/zinc/12/00/84/1293120084.db2.gz QOYZCYQQZIOGMN-AWEZNQCLSA-N 0 0 334.416 2.124 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4O3)C2)cc1 ZINC000855229108 1293120816 /nfs/dbraw/zinc/12/08/16/1293120816.db2.gz KDRSQSDNMXWXKW-BEFAXECRSA-N 0 0 338.407 2.394 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cccc(OC)c3O)C2)cc1 ZINC000855230842 1293120878 /nfs/dbraw/zinc/12/08/78/1293120878.db2.gz FGFVCPKMBXOCOF-ZDUSSCGKSA-N 0 0 342.395 2.418 10 10 EECERN CCCc1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)[nH]n1 ZINC000855231247 1293121712 /nfs/dbraw/zinc/12/17/12/1293121712.db2.gz JCFDAEXWIWHACW-CQSZACIVSA-N 0 0 328.416 2.380 10 10 EECERN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856215130 1293448226 /nfs/dbraw/zinc/44/82/26/1293448226.db2.gz JZUKAWGKYFXRQN-RBUKOAKNSA-N 0 0 346.471 2.469 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCC(=O)NC1CCCCC1 ZINC000115813211 1293995276 /nfs/dbraw/zinc/99/52/76/1293995276.db2.gz VNAGBRAVHNPHJW-UHFFFAOYSA-N 0 0 346.475 2.309 10 10 EECERN COc1ccc(O)c([C@H](C)NC(c2ccnn2C)c2ccnn2C)c1 ZINC000858584643 1294159895 /nfs/dbraw/zinc/15/98/95/1294159895.db2.gz VKEHDQVCNNTMOM-LBPRGKRZSA-N 0 0 341.415 2.308 10 10 EECERN CCN1CN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1=O ZINC000858905782 1294257415 /nfs/dbraw/zinc/25/74/15/1294257415.db2.gz JAOGLYSYRIALQN-UHFFFAOYSA-N 0 0 340.427 2.425 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000861891823 1295582749 /nfs/dbraw/zinc/58/27/49/1295582749.db2.gz LLSXCFXASPXXGH-MRXNPFEDSA-N 0 0 348.406 2.458 10 10 EECERN Cc1ncc2n1C[C@@H](C(=O)NCc1ccc3cccnc3c1O)CC2 ZINC000862026710 1295659964 /nfs/dbraw/zinc/65/99/64/1295659964.db2.gz XXZOOONFPSGMLN-HNNXBMFYSA-N 0 0 336.395 2.324 10 10 EECERN O=C(Cc1ccccc1O[C@@H]1CCOC1)NCc1cccc(O)c1O ZINC001123977446 1310787938 /nfs/dbraw/zinc/78/79/38/1310787938.db2.gz GTRODCPHHKZVOS-OAHLLOKOSA-N 0 0 343.379 2.124 10 10 EECERN CNC(=O)c1ccc(N[C@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000840385259 1315359323 /nfs/dbraw/zinc/35/93/23/1315359323.db2.gz SZKBXKNTHQUPNQ-CYBMUJFWSA-N 0 0 327.432 2.254 10 10 EECERN CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1OC(C)C)C1CC1 ZINC000842587386 1315726648 /nfs/dbraw/zinc/72/66/48/1315726648.db2.gz CZJGNMSQRLNPQP-HNNXBMFYSA-N 0 0 329.418 2.346 10 10 EECERN C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC000843039667 1315825912 /nfs/dbraw/zinc/82/59/12/1315825912.db2.gz DOOUNFRXCHHAAZ-DZGCQCFKSA-N 0 0 336.407 2.205 10 10 EECERN CC1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)cc2)CC1 ZINC001293145499 1328618737 /nfs/dbraw/zinc/61/87/37/1328618737.db2.gz PKQLXDRQKAPBTM-SJORKVTESA-N 0 0 343.471 2.441 10 10 EECERN CN(CC(=O)NCc1ccc(O)c(O)c1)c1nc2ccccc2s1 ZINC001150377007 1316248275 /nfs/dbraw/zinc/24/82/75/1316248275.db2.gz FYZQDBRMDGDSQT-UHFFFAOYSA-N 0 0 343.408 2.460 10 10 EECERN Cc1cn2c(nc(C)c2CNC(=O)Cc2ccc(O)c(O)c2)s1 ZINC001159267009 1319711450 /nfs/dbraw/zinc/71/14/50/1319711450.db2.gz MIEKTCCOFCJZFA-UHFFFAOYSA-N 0 0 331.397 2.283 10 10 EECERN CN(C)c1cccnc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001160312302 1320130112 /nfs/dbraw/zinc/13/01/12/1320130112.db2.gz ANHBGYOCASQRCW-UHFFFAOYSA-N 0 0 326.360 2.240 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCS[C@H](C)C1 ZINC001262256846 1322265028 /nfs/dbraw/zinc/26/50/28/1322265028.db2.gz WKODTSXHMXMAOI-UKRRQHHQSA-N 0 0 349.500 2.078 10 10 EECERN COC(=O)/C=C\[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001263985050 1322577572 /nfs/dbraw/zinc/57/75/72/1322577572.db2.gz IEEJTECDLCXDIY-JLVNDZCYSA-N 0 0 327.384 2.337 10 10 EECERN CC[C@@H](C)C(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001283498756 1326099790 /nfs/dbraw/zinc/09/97/90/1326099790.db2.gz YGEYVAOXZYVEDX-GFCCVEGCSA-N 0 0 347.419 2.473 10 10 EECERN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1CSCCSC1 ZINC001290253028 1328166387 /nfs/dbraw/zinc/16/63/87/1328166387.db2.gz QFAJFIJJGJNOKD-CYBMUJFWSA-N 0 0 339.530 2.454 10 10 EECERN CC[C@@H](C)C(=O)NCC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001297164545 1329947822 /nfs/dbraw/zinc/94/78/22/1329947822.db2.gz GPXOVWXKSZUNLH-LLVKDONJSA-N 0 0 345.403 2.083 10 10 EECERN Cc1cn2c(ncc(C(=O)N[C@@H](C)c3ccccc3O)c2=O)s1 ZINC001302538435 1331328841 /nfs/dbraw/zinc/32/88/41/1331328841.db2.gz QSMDLGILVBODKA-JTQLQIEISA-N 0 0 329.381 2.261 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001302559241 1331329258 /nfs/dbraw/zinc/32/92/58/1331329258.db2.gz HTCRHCOLPSFNDL-STMXVASLSA-N 0 0 339.347 2.261 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC001303289504 1331352456 /nfs/dbraw/zinc/35/24/56/1331352456.db2.gz BUWHEGOZPAKTLY-ZDUSSCGKSA-N 0 0 335.787 2.186 10 10 EECERN O=C(CNC(=O)c1ccccc1Cl)NCc1c(O)cccc1F ZINC001303878706 1331368959 /nfs/dbraw/zinc/36/89/59/1331368959.db2.gz RFVPRTSYEWZQLU-UHFFFAOYSA-N 0 0 336.750 2.231 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC001332000178 1335701325 /nfs/dbraw/zinc/70/13/25/1335701325.db2.gz CQYUSMVLFPFBJB-LBPRGKRZSA-N 0 0 344.333 2.152 10 10 EECERN C[C@@H](NC(=O)C(=O)NC[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC001334120916 1336208239 /nfs/dbraw/zinc/20/82/39/1336208239.db2.gz HXJMCNPYWUYEKJ-BZNIZROVSA-N 0 0 339.386 2.091 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC3(CC3)C2)cc1F ZINC001334732497 1336289842 /nfs/dbraw/zinc/28/98/42/1336289842.db2.gz HTYBPLZZPQOVKB-CQSZACIVSA-N 0 0 347.434 2.347 10 10 EECERN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCOCCCO ZINC001348305106 1337548594 /nfs/dbraw/zinc/54/85/94/1337548594.db2.gz BWYUMQQTGHGXTO-UHFFFAOYSA-N 0 0 344.411 2.035 10 10 EECERN C/C(=C/C(=O)N1CC(=O)Nc2cc(F)c(F)cc21)c1cnccn1 ZINC001616977653 1352334378 /nfs/dbraw/zinc/33/43/78/1352334378.db2.gz VMGZVGGUZDDJIY-WTKPLQERSA-N 0 0 330.294 2.143 10 10 EECERN Cc1cc(C(=O)N[C@H](C)c2nccc(N)n2)c(C)n1-c1ccccn1 ZINC001556760498 1342434156 /nfs/dbraw/zinc/43/41/56/1342434156.db2.gz SPINFEMNETUTPC-GFCCVEGCSA-N 0 0 336.399 2.352 10 10 EECERN C[C@@H]1CCN(c2cc(C(=O)NCc3ccc(O)cc3O)ccn2)C1 ZINC001557084931 1342440376 /nfs/dbraw/zinc/44/03/76/1342440376.db2.gz UPBUQHYQHXKTTP-GFCCVEGCSA-N 0 0 327.384 2.269 10 10 EECERN O=C(CCNC(=O)Cc1ccccc1)NCc1cc(Cl)ccc1O ZINC001557386192 1342448054 /nfs/dbraw/zinc/44/80/54/1342448054.db2.gz QJPOITQPRNXPNP-UHFFFAOYSA-N 0 0 346.814 2.411 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccnc(OC)c2)c1 ZINC001565178052 1342552742 /nfs/dbraw/zinc/55/27/42/1342552742.db2.gz XBHVFQUWFQSPHW-GFCCVEGCSA-N 0 0 345.399 2.407 10 10 EECERN CCC(=O)N(CC)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001582314260 1344728763 /nfs/dbraw/zinc/72/87/63/1344728763.db2.gz UTFACGFGGFGGEE-AWEZNQCLSA-N 0 0 345.403 2.322 10 10 EECERN CC1CCC(N2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)CC1 ZINC001593873666 1349873311 /nfs/dbraw/zinc/87/33/11/1349873311.db2.gz VQEDOBZRYQCDFR-BLZCZZARSA-N 0 0 346.427 2.141 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@H](CO)c2ccccc2)cc1 ZINC001595907187 1349898554 /nfs/dbraw/zinc/89/85/54/1349898554.db2.gz YSVHDGMGQRULKW-CQSZACIVSA-N 0 0 326.356 2.355 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C3CC3)[nH]c2=O)c1 ZINC001622779803 1352389174 /nfs/dbraw/zinc/38/91/74/1352389174.db2.gz WQSFRMRMBZWPPT-VIFPVBQESA-N 0 0 329.356 2.265 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)OC[C@H]1CCCCO1 ZINC001623574326 1352400205 /nfs/dbraw/zinc/40/02/05/1352400205.db2.gz MPWGESFMGCNISG-ZIAGYGMSSA-N 0 0 342.432 2.468 10 10 EECERN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC001625667054 1352454420 /nfs/dbraw/zinc/45/44/20/1352454420.db2.gz WDVRKPNUMFMSDV-CQSZACIVSA-N 0 0 329.352 2.002 10 10 EECERN COC(OC)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001634993715 1352637986 /nfs/dbraw/zinc/63/79/86/1352637986.db2.gz WWPQQGZLFFDRTK-KRWDZBQOSA-N 0 0 331.368 2.117 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3[nH]c(=O)[nH]c32)c1 ZINC001636060998 1352657301 /nfs/dbraw/zinc/65/73/01/1352657301.db2.gz BFSQRJLZLHDZRH-VIFPVBQESA-N 0 0 327.340 2.474 10 10 EECERN O=C(NCc1c(O)cccc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001652295248 1354086175 /nfs/dbraw/zinc/08/61/75/1354086175.db2.gz DSALYOLPEUCGPC-UHFFFAOYSA-N 0 0 348.286 2.141 10 10 EECERN CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)NCc1c(O)cccc1O ZINC001652629057 1354097550 /nfs/dbraw/zinc/09/75/50/1354097550.db2.gz UVLACJQOGPZZEO-INIZCTEOSA-N 0 0 341.363 2.447 10 10 EECERN COC(=O)N(C)CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001674447623 1356835285 /nfs/dbraw/zinc/83/52/85/1356835285.db2.gz CTWTXBJBPBOWOV-UHFFFAOYSA-N 0 0 348.447 2.126 10 10 EECERN COc1cccc(CNC(=O)NCc2ccc3oc(=O)[nH]c3c2)c1O ZINC001675789745 1357049384 /nfs/dbraw/zinc/04/93/84/1357049384.db2.gz UGSPDRVFEKANKD-UHFFFAOYSA-N 0 0 343.339 2.247 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001680084176 1357796661 /nfs/dbraw/zinc/79/66/61/1357796661.db2.gz VPEKFXBUHGMZOQ-GFCCVEGCSA-N 0 0 343.358 2.136 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@H]1CCc2ccccc2NC1=O ZINC001686927243 1358513056 /nfs/dbraw/zinc/51/30/56/1358513056.db2.gz BYDCOROPEWTAMN-HNNXBMFYSA-N 0 0 343.358 2.284 10 10 EECERN C[C@H](NC(=O)COCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000843580659 759913515 /nfs/dbraw/zinc/91/35/15/759913515.db2.gz KDMJQVXTPXNVGX-ZDUSSCGKSA-N 0 0 336.432 2.288 10 10 EECERN C[C@H]1CCCc2nc(S(=O)(=O)NCc3c(O)cccc3F)cn21 ZINC000921450915 773381899 /nfs/dbraw/zinc/38/18/99/773381899.db2.gz HKFSPGWGJLPSHF-JTQLQIEISA-N 0 0 339.392 2.104 10 10 EECERN CO[C@@H](CS(=O)(=O)NCc1c(O)cccc1F)C1CCCC1 ZINC000921451120 773382233 /nfs/dbraw/zinc/38/22/33/773382233.db2.gz KESQRFLSICRTKT-HNNXBMFYSA-N 0 0 331.409 2.156 10 10 EECERN C[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000068479750 774583874 /nfs/dbraw/zinc/58/38/74/774583874.db2.gz DVGABSXSSSPMJP-OAGGEKHMSA-N 0 0 347.459 2.403 10 10 EECERN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CO1 ZINC000722502975 778980510 /nfs/dbraw/zinc/98/05/10/778980510.db2.gz SFHHYJNGMCUTEY-LLVKDONJSA-N 0 0 330.331 2.311 10 10 EECERN COc1ccc(CNC(=O)C2(C(F)(F)F)CCOCC2)c(O)c1 ZINC000846950291 790768852 /nfs/dbraw/zinc/76/88/52/790768852.db2.gz MYDZWTOYRDWLFG-UHFFFAOYSA-N 0 0 333.306 2.376 10 10 EECERN COc1cc(N2CCN(C(=O)[C@H]3CC34CC4)CC2)cc(OC)c1OC ZINC000817445462 784787346 /nfs/dbraw/zinc/78/73/46/784787346.db2.gz XNXRZFUSOCSZHS-CQSZACIVSA-N 0 0 346.427 2.161 10 10 EECERN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000818361570 785256383 /nfs/dbraw/zinc/25/63/83/785256383.db2.gz LPIJMDMDTNUJBW-CPCISQLKSA-N 0 0 331.199 2.497 10 10 EECERN CC(C)Cn1ccnc1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169109 785442793 /nfs/dbraw/zinc/44/27/93/785442793.db2.gz WUMIGZXJQKFNSY-UHFFFAOYSA-N 0 0 342.399 2.209 10 10 EECERN CC(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)nc1 ZINC001136435991 786706664 /nfs/dbraw/zinc/70/66/64/786706664.db2.gz DFWPBHCTUUOPQK-UHFFFAOYSA-N 0 0 338.411 2.352 10 10 EECERN CCC/C=C\[C@H](O)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276856 787348173 /nfs/dbraw/zinc/34/81/73/787348173.db2.gz OZKMAKWFBQNYLT-XSRQRWQSSA-N 0 0 332.444 2.355 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)[C@H]3CCCO3)C2)cc1 ZINC000911277905 787348365 /nfs/dbraw/zinc/34/83/65/787348365.db2.gz YATCZZLWVWVKMN-HDMKZQKVSA-N 0 0 332.444 2.453 10 10 EECERN COCCOC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001136752145 787839373 /nfs/dbraw/zinc/83/93/73/787839373.db2.gz GRPTYWGGAVMOAE-UHFFFAOYSA-N 0 0 334.376 2.117 10 10 EECERN Cc1cnn(C)c1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000824422721 788165223 /nfs/dbraw/zinc/16/52/23/788165223.db2.gz VLFCJWQVTHYFTE-UHFFFAOYSA-N 0 0 343.431 2.011 10 10 EECERN COC(OC)[C@@H](C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000922913310 788318899 /nfs/dbraw/zinc/31/88/99/788318899.db2.gz SYLDZVQDTNOLAR-UONOGXRCSA-N 0 0 337.464 2.299 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](O)c2ccnn2C)c1 ZINC000922974757 788455020 /nfs/dbraw/zinc/45/50/20/788455020.db2.gz ROXSTYMORRENLN-CYBMUJFWSA-N 0 0 340.221 2.020 10 10 EECERN CC(C)(C)OC(=O)COCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843832835 788682305 /nfs/dbraw/zinc/68/23/05/788682305.db2.gz XCZUXLWGMAVZPU-UHFFFAOYSA-N 0 0 349.427 2.246 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCC2CCCC2)c1 ZINC000055198158 789086320 /nfs/dbraw/zinc/08/63/20/789086320.db2.gz LAUHXSKJUNXNAD-UHFFFAOYSA-N 0 0 326.418 2.074 10 10 EECERN COc1ccc(N(C)CCN(C)CN2C[C@@H](C(F)F)CC2=O)cc1 ZINC000844726217 789330443 /nfs/dbraw/zinc/33/04/43/789330443.db2.gz RQWYXCFOSLISRR-ZDUSSCGKSA-N 0 0 341.402 2.134 10 10 EECERN CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000844933977 789470659 /nfs/dbraw/zinc/47/06/59/789470659.db2.gz KKMVSHKVVJLHLK-IUODEOHRSA-N 0 0 325.428 2.488 10 10 EECERN COc1cccc(CNC(=O)N[C@H]2CNc3ccccc3C2)c1O ZINC000846195358 790086967 /nfs/dbraw/zinc/08/69/67/790086967.db2.gz XVONUZPULZLTEY-CQSZACIVSA-N 0 0 327.384 2.237 10 10 EECERN COC(=O)Cc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC001149006474 792824351 /nfs/dbraw/zinc/82/43/51/792824351.db2.gz IOUAYBPJGQQMPC-UHFFFAOYSA-N 0 0 329.352 2.052 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2C(=O)C(C)C)c1 ZINC000153851482 797509664 /nfs/dbraw/zinc/50/96/64/797509664.db2.gz YUGABHWAVXSNSK-SWLSCSKDSA-N 0 0 334.416 2.225 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N3CC=C[C@H]3CO)c2C)cc1 ZINC000922259391 800122922 /nfs/dbraw/zinc/12/29/22/800122922.db2.gz HYKXRATVGGEXTP-INIZCTEOSA-N 0 0 326.396 2.476 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCN(c2cccc(F)c2)CC1 ZINC001169964227 804255635 /nfs/dbraw/zinc/25/56/35/804255635.db2.gz XRKHFISZWWLXCS-UHFFFAOYSA-N 0 0 330.359 2.128 10 10 EECERN CO[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccc(O)cc1 ZINC000787509655 807134192 /nfs/dbraw/zinc/13/41/92/807134192.db2.gz ACQCASXNVUTUFR-APPDUMDISA-N 0 0 331.368 2.238 10 10 EECERN Cc1ccc(O)c(CNc2ccc3c(c2)CN(CC(N)=O)CC3)c1 ZINC000788528942 807580412 /nfs/dbraw/zinc/58/04/12/807580412.db2.gz KKVWGRVZGCGPKG-UHFFFAOYSA-N 0 0 325.412 2.156 10 10 EECERN C[C@H](NC(=O)NCc1cc(Br)ccc1O)c1cn[nH]c1 ZINC000805233807 811184548 /nfs/dbraw/zinc/18/45/48/811184548.db2.gz MEGSBTCXJZZLSX-QMMMGPOBSA-N 0 0 339.193 2.438 10 10 EECERN CC(C)(O)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805310991 811241313 /nfs/dbraw/zinc/24/13/13/811241313.db2.gz WYAGPBXFWLUCOU-UHFFFAOYSA-N 0 0 331.210 2.115 10 10 EECERN C[C@@H]1COCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805364360 811257934 /nfs/dbraw/zinc/25/79/34/811257934.db2.gz MBVWDKFGCNMJTC-BXKDBHETSA-N 0 0 343.221 2.379 10 10 EECERN C[C@H](OCC(=O)NCCCSc1nccs1)c1nccn1C ZINC000806851309 812001001 /nfs/dbraw/zinc/00/10/01/812001001.db2.gz MZWJKIDOFBRKEX-NSHDSACASA-N 0 0 340.474 2.253 10 10 EECERN CC(=O)C(=O)COC(=O)Cc1ccc(Cl)cc1Br ZINC000808517911 812688084 /nfs/dbraw/zinc/68/80/84/812688084.db2.gz RVXVPPSLTIKPJJ-UHFFFAOYSA-N 0 0 333.565 2.346 10 10 EECERN CC(=O)C(=O)COC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C ZINC000808526227 812693698 /nfs/dbraw/zinc/69/36/98/812693698.db2.gz NQJFDYCABWLPAY-UHFFFAOYSA-N 0 0 328.368 2.485 10 10 EECERN CC(=O)C(=O)COC(=O)CCCc1ccccc1Br ZINC000808527455 812694855 /nfs/dbraw/zinc/69/48/55/812694855.db2.gz HLUOHYWEDGTNGE-UHFFFAOYSA-N 0 0 327.174 2.473 10 10 EECERN CC(=O)C(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000808500368 812695600 /nfs/dbraw/zinc/69/56/00/812695600.db2.gz YSRLPDVSWLCLBM-UHFFFAOYSA-N 0 0 337.278 2.254 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)c2ccccc2F)cc1 ZINC001445541881 1091309626 /nfs/dbraw/zinc/30/96/26/1091309626.db2.gz PGSATQWKBGVGDN-CQSZACIVSA-N 0 0 330.319 2.452 10 10 EECERN CCOc1ccc(N2CCN(C(=O)C3(C(C)C)COC3)CC2)cc1 ZINC001545931650 1093619072 /nfs/dbraw/zinc/61/90/72/1093619072.db2.gz QGCJPXWYEZAAOK-UHFFFAOYSA-N 0 0 332.444 2.407 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)C3=C[S@](=O)CCC3)C2)cc1 ZINC001452034491 1098138277 /nfs/dbraw/zinc/13/82/77/1098138277.db2.gz UJZITSJDJIUGAM-LFPIHBKWSA-N 0 0 348.468 2.064 10 10 EECERN CS(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001456311098 1109139051 /nfs/dbraw/zinc/13/90/51/1109139051.db2.gz SFVXOAWICXCXAP-UHFFFAOYSA-N 0 0 345.376 2.472 10 10 EECERN Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2cc(O)ccc2O)c1C ZINC001471661614 1110527795 /nfs/dbraw/zinc/52/77/95/1110527795.db2.gz VJFRSEZGFPIZAE-UHFFFAOYSA-N 0 0 349.408 2.048 10 10 EECERN C[C@H](CNC(=O)CC1(C)CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001502393027 1113662349 /nfs/dbraw/zinc/66/23/49/1113662349.db2.gz MZYDTRKGJNENEE-LLVKDONJSA-N 0 0 345.403 2.274 10 10 EECERN CN(CCc1cnccn1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001546279608 1113855847 /nfs/dbraw/zinc/85/58/47/1113855847.db2.gz UWBRKPSZWJWIDJ-UHFFFAOYSA-N 0 0 329.381 2.417 10 10 EECERN COC[C@H](Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O)OC ZINC001504588501 1113915816 /nfs/dbraw/zinc/91/58/16/1113915816.db2.gz IXZCHDVMKSHFAP-HNNXBMFYSA-N 0 0 346.431 2.159 10 10 EECERN CN(C)[C@@]1(C(=O)N2Cc3cccc(O)c3C2)COc2ccccc2C1 ZINC001520380288 1119152993 /nfs/dbraw/zinc/15/29/93/1119152993.db2.gz IHRAQDKLDXVJQN-HXUWFJFHSA-N 0 0 338.407 2.170 10 10 EECERN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2ccc(F)cn2)cn1 ZINC001521517213 1119257495 /nfs/dbraw/zinc/25/74/95/1119257495.db2.gz QTQJUIZRJSQENP-UHFFFAOYSA-N 0 0 328.351 2.114 10 10 EECERN CCCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001523118547 1119652984 /nfs/dbraw/zinc/65/29/84/1119652984.db2.gz JOQUXVKTBVICQW-AWEZNQCLSA-N 0 0 345.403 2.322 10 10 EECERN CCn1cc(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)nn1 ZINC001523559250 1119811031 /nfs/dbraw/zinc/81/10/31/1119811031.db2.gz JBJIUNYLZMVCDF-UHFFFAOYSA-N 0 0 327.432 2.099 10 10 EECERN Cc1ncccc1/C=C/C(=O)N(C)c1cccc(S(C)(=O)=O)c1 ZINC001526096968 1120438250 /nfs/dbraw/zinc/43/82/50/1120438250.db2.gz SKBSPIXRMBMYHE-MDZDMXLPSA-N 0 0 330.409 2.470 10 10 EECERN CNC(=O)Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001543295473 1124127068 /nfs/dbraw/zinc/12/70/68/1124127068.db2.gz MOODWLXNLDMSDR-UHFFFAOYSA-N 0 0 339.355 2.390 10 10 EECERN O=C(NCc1cccc(Br)c1O)c1cc2ncccn2n1 ZINC001568605690 1124627450 /nfs/dbraw/zinc/62/74/50/1124627450.db2.gz RQJBIASIMHYUDR-UHFFFAOYSA-N 0 0 347.172 2.127 10 10 EECERN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccnnc1 ZINC000131349781 237207154 /nfs/dbraw/zinc/20/71/54/237207154.db2.gz YAUVUXVQUZSENP-UHFFFAOYSA-N 0 0 348.353 2.477 10 10 EECERN C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120249789 462978127 /nfs/dbraw/zinc/97/81/27/462978127.db2.gz PMTNUBPXSVYKPZ-CQSZACIVSA-N 0 0 342.399 2.012 10 10 EECERN Cc1cc(C[C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)[nH]n1 ZINC000125044469 463495288 /nfs/dbraw/zinc/49/52/88/463495288.db2.gz CZQLAWXCYFCNOE-NSHDSACASA-N 0 0 333.411 2.354 10 10 EECERN CN(C)c1ccc(CNC(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1F ZINC000171760355 463921557 /nfs/dbraw/zinc/92/15/57/463921557.db2.gz TZNHVFHDLDXORZ-FUHWJXTLSA-N 0 0 343.402 2.349 10 10 EECERN CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C12CCOCC2 ZINC000186306584 463972660 /nfs/dbraw/zinc/97/26/60/463972660.db2.gz FTLWCLJHEPKUHC-HOTGVXAUSA-N 0 0 336.388 2.364 10 10 EECERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187564776 464141363 /nfs/dbraw/zinc/14/13/63/464141363.db2.gz DRLSGOHASNGHCE-KZNAEPCWSA-N 0 0 327.428 2.430 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)ccc21 ZINC000188047438 464187350 /nfs/dbraw/zinc/18/73/50/464187350.db2.gz RAAXVVQEXXMDSD-JFIYKMOQSA-N 0 0 329.444 2.436 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000293186335 464392150 /nfs/dbraw/zinc/39/21/50/464392150.db2.gz AWZMHJJVFIHIJL-CQSZACIVSA-N 0 0 339.457 2.346 10 10 EECERN CCN(CC)c1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)OC)cc1F ZINC000249855607 464920944 /nfs/dbraw/zinc/92/09/44/464920944.db2.gz QCMMYCLLFPSUTM-SJORKVTESA-N 0 0 338.423 2.170 10 10 EECERN COc1cc(O)c(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1OC ZINC000372391162 466347735 /nfs/dbraw/zinc/34/77/35/466347735.db2.gz DWJNNXCRNFZZPO-OFQRWUPVSA-N 0 0 337.416 2.178 10 10 EECERN Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c(O)c1O ZINC000365932927 466994374 /nfs/dbraw/zinc/99/43/74/466994374.db2.gz ZYPQUGLPXNKHAI-NSHDSACASA-N 0 0 347.396 2.106 10 10 EECERN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(O)c1O ZINC000193134030 534807080 /nfs/dbraw/zinc/80/70/80/534807080.db2.gz NPLGPMUCZBVLIQ-ZDUSSCGKSA-N 0 0 332.400 2.009 10 10 EECERN Cc1cc(CCNC(=O)C2(C(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000731600093 577110325 /nfs/dbraw/zinc/11/03/25/577110325.db2.gz UWHDSRZHXMNDHO-UHFFFAOYSA-N 0 0 325.412 2.018 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000773744441 577362412 /nfs/dbraw/zinc/36/24/12/577362412.db2.gz RSTFXLCTKIIDEI-OLZOCXBDSA-N 0 0 345.395 2.105 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)O[C@H]3CC(=O)N(C)C3)c2C)cc1 ZINC000764722115 577487333 /nfs/dbraw/zinc/48/73/33/577487333.db2.gz GLJFGVDYHBLRQD-INIZCTEOSA-N 0 0 342.395 2.490 10 10 EECERN Cc1nc(NCc2cccc(Br)c2O)nc(N(C)C)n1 ZINC000764934005 577491267 /nfs/dbraw/zinc/49/12/67/577491267.db2.gz HHKBTXZHZFDKMT-UHFFFAOYSA-N 0 0 338.209 2.326 10 10 EECERN Cc1cc(C(=O)CN(C)[C@@H]2CCNC2=O)c(C)n1-c1ccc(F)cc1 ZINC000759439241 577642877 /nfs/dbraw/zinc/64/28/77/577642877.db2.gz XAUVGBSCYMLZHE-QGZVFWFLSA-N 0 0 343.402 2.236 10 10 EECERN CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(OC)ccc1O ZINC000763481108 577721752 /nfs/dbraw/zinc/72/17/52/577721752.db2.gz RURWOPIYVCPJSJ-INIZCTEOSA-N 0 0 330.384 2.060 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2noc(C3CC3)n2)c1 ZINC000763556115 577722575 /nfs/dbraw/zinc/72/25/75/577722575.db2.gz ZPBOGYJFIQKKQX-SECBINFHSA-N 0 0 332.360 2.222 10 10 EECERN Cc1nc(S(=O)(=O)NCc2ccc(N(C)C)cc2)sc1C ZINC000746401724 577927223 /nfs/dbraw/zinc/92/72/23/577927223.db2.gz JIPYLLSQOJNINP-UHFFFAOYSA-N 0 0 325.459 2.304 10 10 EECERN O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)NC1CCCCC1 ZINC000895979523 684794515 /nfs/dbraw/zinc/79/45/15/684794515.db2.gz WBMVXKMXFPNJHD-UHFFFAOYSA-N 0 0 348.424 2.491 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2coc3c2C(=O)NCCC3)cc1 ZINC000905449518 1189720619 /nfs/dbraw/zinc/72/06/19/1189720619.db2.gz WSXOHLBQFXVRKE-UHFFFAOYSA-N 0 0 341.411 2.294 10 10 EECERN C[C@H](CNC(=O)C1CCC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486782733 1194244485 /nfs/dbraw/zinc/24/44/85/1194244485.db2.gz OWXSRJZUOZYJOA-LLVKDONJSA-N 0 0 345.403 2.226 10 10 EECERN Cc1ccc(C(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)c(O)c1O ZINC000871419875 1197724415 /nfs/dbraw/zinc/72/44/15/1197724415.db2.gz PNZIWOSZXANTBR-CQSZACIVSA-N 0 0 339.395 2.426 10 10 EECERN C[C@@]1(C(F)(F)F)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 ZINC000871437214 1197731461 /nfs/dbraw/zinc/73/14/61/1197731461.db2.gz DNLVTXKYURNKCT-MFBWXBCUSA-N 0 0 331.290 2.291 10 10 EECERN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](Cc2cncs2)C1=O ZINC000871897512 1197959707 /nfs/dbraw/zinc/95/97/07/1197959707.db2.gz JKTBRGMLXNJXLM-NHYWBVRUSA-N 0 0 344.440 2.433 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C2(N3CCOCC3)CC2)cc1 ZINC000864927746 1198002748 /nfs/dbraw/zinc/00/27/48/1198002748.db2.gz ZCCSFKNINISTCD-UHFFFAOYSA-N 0 0 331.460 2.014 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N3C[C@H](OC)C[C@@]3(C)C2=O)cc1 ZINC000865300068 1198158500 /nfs/dbraw/zinc/15/85/00/1198158500.db2.gz WQRXCVHBCMEIJK-APWZRJJASA-N 0 0 345.443 2.474 10 10 EECERN CO[C@@H]1CN2C(=O)N([C@H](C)c3ccc(N(C)C)cc3)C(=O)[C@]2(C)C1 ZINC000865304630 1198161225 /nfs/dbraw/zinc/16/12/25/1198161225.db2.gz DURXESUDZYYSEK-MRAWALMUSA-N 0 0 331.416 2.255 10 10 EECERN COc1ccc(N2CC[C@@H](Nc3ccccc3S(N)(=O)=O)C2)cc1 ZINC000865932074 1198428577 /nfs/dbraw/zinc/42/85/77/1198428577.db2.gz NSIKZBHEJGJAGR-CYBMUJFWSA-N 0 0 347.440 2.033 10 10 EECERN C[C@](O)(C(=O)NCc1cc(Br)ccc1O)C1CCC1 ZINC000813609521 1199113344 /nfs/dbraw/zinc/11/33/44/1199113344.db2.gz MCGRKSLXZSDIOO-CQSZACIVSA-N 0 0 328.206 2.322 10 10 EECERN O=S(=O)(c1cccc2nonc21)N1CCc2c1c(F)ccc2F ZINC000814403344 1199488362 /nfs/dbraw/zinc/48/83/62/1199488362.db2.gz BYDWHTHGCIEOHL-UHFFFAOYSA-N 0 0 337.307 2.252 10 10 EECERN O=c1onc(-c2ccccc2)n1Cc1ccc(N2CCOCC2)cc1 ZINC000877877267 1200145284 /nfs/dbraw/zinc/14/52/84/1200145284.db2.gz VAZITNVCLUTAMI-UHFFFAOYSA-N 0 0 337.379 2.388 10 10 EECERN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203338 1201098306 /nfs/dbraw/zinc/09/83/06/1201098306.db2.gz XYTDTINPRAYADE-ZDUSSCGKSA-N 0 0 334.441 2.182 10 10 EECERN CC(C)(C)C(=O)Nc1nccnc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202225 1201098598 /nfs/dbraw/zinc/09/85/98/1201098598.db2.gz AUPAAFPEXMEHOY-UHFFFAOYSA-N 0 0 340.383 2.323 10 10 EECERN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3Cc4cccc(O)c4C3)[C@H]2C1 ZINC000871205520 1201099039 /nfs/dbraw/zinc/09/90/39/1201099039.db2.gz UTHXCQQPZJLHRG-FOLVSLTJSA-N 0 0 344.411 2.347 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4CSC[C@H]4C3)cc2N1 ZINC000866204144 1201464119 /nfs/dbraw/zinc/46/41/19/1201464119.db2.gz VHNJBJVDGVFVBA-VHSXEESVSA-N 0 0 335.385 2.115 10 10 EECERN COc1ccc(O)c(CNC(=O)Cc2cn3cc(C)sc3n2)c1 ZINC000866766755 1201601515 /nfs/dbraw/zinc/60/15/15/1201601515.db2.gz CREGNVQFGWFWMZ-UHFFFAOYSA-N 0 0 331.397 2.277 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](C)O[C@@H]3C)C2)cc1 ZINC000868762436 1201874413 /nfs/dbraw/zinc/87/44/13/1201874413.db2.gz OHXLLPAEHVTJQJ-QDEZUTFSSA-N 0 0 333.432 2.139 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C)cnc1F ZINC000868966634 1201914339 /nfs/dbraw/zinc/91/43/39/1201914339.db2.gz UJZRGQDHQIZQRO-UHFFFAOYSA-N 0 0 346.358 2.440 10 10 EECERN COC[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCOC1 ZINC000886359404 1202496766 /nfs/dbraw/zinc/49/67/66/1202496766.db2.gz BNSULGDJHCIMQC-ZWNOBZJWSA-N 0 0 344.795 2.485 10 10 EECERN CCn1ccnc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000925304334 1206092925 /nfs/dbraw/zinc/09/29/25/1206092925.db2.gz PAIAHLDJPXMOFN-UHFFFAOYSA-N 0 0 348.790 2.226 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)NCCOC2CCOCC2)cc1 ZINC000927495513 1206271411 /nfs/dbraw/zinc/27/14/11/1206271411.db2.gz GGCOMTJQEIBXRW-UHFFFAOYSA-N 0 0 335.448 2.090 10 10 EECERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928711181 1206414112 /nfs/dbraw/zinc/41/41/12/1206414112.db2.gz GLGRADWXQHSGCV-QWHCGFSZSA-N 0 0 336.407 2.432 10 10 EECERN COc1ccc(N(CC(C)C)CC2CN(S(C)(=O)=O)C2)cc1 ZINC000929920914 1206517769 /nfs/dbraw/zinc/51/77/69/1206517769.db2.gz JDZFNPXTOHUIFO-UHFFFAOYSA-N 0 0 326.462 2.049 10 10 EECERN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2[nH]c(=O)oc21 ZINC000159952497 1208516855 /nfs/dbraw/zinc/51/68/55/1208516855.db2.gz HBPQGYDCGYHSFA-UHFFFAOYSA-N 0 0 339.351 2.210 10 10 EECERN COc1ccc(CNc2cc(N3CCC[C@H](CO)C3)ncn2)c(O)c1 ZINC000795288318 1212429722 /nfs/dbraw/zinc/42/97/22/1212429722.db2.gz BKUFDHBJLDIFAO-ZDUSSCGKSA-N 0 0 344.415 2.012 10 10 EECERN CN(C)c1ccc(C=c2sc3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000254439561 1217532175 /nfs/dbraw/zinc/53/21/75/1217532175.db2.gz SFKFPLPBBNOSPV-UHFFFAOYSA-N 0 0 348.431 2.432 10 10 EECERN [O-]c1c(F)cc(Cl)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827698838 1248656701 /nfs/dbraw/zinc/65/67/01/1248656701.db2.gz BQMIWFICVALHSF-CQSZACIVSA-N 0 0 328.815 2.216 10 10 EECERN Cc1cc(COCC(=O)NCc2c(O)ccc3c2CCCC3)on1 ZINC000801174492 1235173664 /nfs/dbraw/zinc/17/36/64/1235173664.db2.gz PNSWZRVFZJBKMJ-UHFFFAOYSA-N 0 0 330.384 2.400 10 10 EECERN CN(C)c1nc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc2o1 ZINC001137325295 1249705954 /nfs/dbraw/zinc/70/59/54/1249705954.db2.gz YZYJBEYGURCUCD-UHFFFAOYSA-N 0 0 327.340 2.486 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H](CCF)C2)cc1 ZINC000850602221 1277280139 /nfs/dbraw/zinc/28/01/39/1277280139.db2.gz RFUGEGFNHYHWQO-HNNXBMFYSA-N 0 0 349.450 2.309 10 10 EECERN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc(O)cc1O ZINC000867417388 1289841661 /nfs/dbraw/zinc/84/16/61/1289841661.db2.gz TWNSXMVJSCUGNB-QMMMGPOBSA-N 0 0 327.324 2.106 10 10 EECERN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)c2ncnn21 ZINC000851988322 1291943477 /nfs/dbraw/zinc/94/34/77/1291943477.db2.gz XKKFDCZOSSPABX-XJKSGUPXSA-N 0 0 340.431 2.384 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(F)n3)C2)cc1 ZINC000852222714 1292048510 /nfs/dbraw/zinc/04/85/10/1292048510.db2.gz FRGRSUCJPLNRDY-CQSZACIVSA-N 0 0 344.390 2.307 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(F)n3)C2)cc1 ZINC000852222712 1292049132 /nfs/dbraw/zinc/04/91/32/1292049132.db2.gz FRGRSUCJPLNRDY-AWEZNQCLSA-N 0 0 344.390 2.307 10 10 EECERN CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)(C)O ZINC000854297888 1292709525 /nfs/dbraw/zinc/70/95/25/1292709525.db2.gz SQZPPEXTYHDVJK-XJKSGUPXSA-N 0 0 335.448 2.123 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3c(C)nn(C)c3C)C2)cc1 ZINC000854303227 1292713493 /nfs/dbraw/zinc/71/34/93/1292713493.db2.gz UTDHTMMHDKKWKW-AWEZNQCLSA-N 0 0 343.431 2.446 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)C3(CF)CCOCC3)C2)cc1 ZINC000855227711 1293120038 /nfs/dbraw/zinc/12/00/38/1293120038.db2.gz YEVRDJPZZRBRCP-CQSZACIVSA-N 0 0 336.407 2.156 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3csc(C)n3)C2)cc1 ZINC000855229522 1293120594 /nfs/dbraw/zinc/12/05/94/1293120594.db2.gz OSPNRTVVQZMKOG-ZDUSSCGKSA-N 0 0 331.441 2.398 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCCCCNC(C)=O)C2)cc1 ZINC000855230022 1293120888 /nfs/dbraw/zinc/12/08/88/1293120888.db2.gz CASSHSAJDCROSL-INIZCTEOSA-N 0 0 347.459 2.087 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(OC)cc3O)C2)cc1 ZINC000855231202 1293121723 /nfs/dbraw/zinc/12/17/23/1293121723.db2.gz IIKJXNLYMHVRBR-ZDUSSCGKSA-N 0 0 342.395 2.418 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnn4ccccc34)C2)cc1 ZINC000855232733 1293122120 /nfs/dbraw/zinc/12/21/20/1293122120.db2.gz XIJDSQXFNYTTQA-CQSZACIVSA-N 0 0 336.395 2.352 10 10 EECERN COc1cccc(CNC(=O)c2cc(N3CCCCC3)ncn2)c1O ZINC000857102878 1293720372 /nfs/dbraw/zinc/72/03/72/1293720372.db2.gz RUTUQMKKRUBVOX-UHFFFAOYSA-N 0 0 342.399 2.111 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3C[C@@H](OC)C3)C2)cc1 ZINC000858551344 1294152035 /nfs/dbraw/zinc/15/20/35/1294152035.db2.gz CDSXDAQDNLCXIV-RLFYNMQTSA-N 0 0 347.459 2.246 10 10 EECERN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(F)cc1[O-] ZINC000858564991 1294155742 /nfs/dbraw/zinc/15/57/42/1294155742.db2.gz FGAOBMQZNUCXCP-WMLDXEAASA-N 0 0 345.418 2.478 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCN(CCCF)CC2)cc1OC ZINC000858598947 1294163531 /nfs/dbraw/zinc/16/35/31/1294163531.db2.gz JBLBZUGGOICRAE-UHFFFAOYSA-N 0 0 327.356 2.094 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](CO)C[C@H]3C)C2)cc1 ZINC000858600081 1294164135 /nfs/dbraw/zinc/16/41/35/1294164135.db2.gz SQKXWRRJUXFYHN-OAGGEKHMSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H]3CCCOC3)C2)cc1 ZINC000858599488 1294164673 /nfs/dbraw/zinc/16/46/73/1294164673.db2.gz NJDGXLNDYJJRGZ-HOTGVXAUSA-N 0 0 347.459 2.390 10 10 EECERN COC(=O)/C=C\c1ccc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000858846126 1294242495 /nfs/dbraw/zinc/24/24/95/1294242495.db2.gz WKMQVWKELUERGN-VDXBNSKFSA-N 0 0 332.356 2.131 10 10 EECERN CN1CCCc2cc(CNS(=O)(=O)[C@@H]3COC(C)(C)C3)ccc21 ZINC000858925361 1294264634 /nfs/dbraw/zinc/26/46/34/1294264634.db2.gz CXUOLDPGPFWREI-HNNXBMFYSA-N 0 0 338.473 2.056 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCc2ncncc2C1 ZINC000862025445 1295660376 /nfs/dbraw/zinc/66/03/76/1295660376.db2.gz ULMOVHQPTLVIQX-CYBMUJFWSA-N 0 0 334.379 2.152 10 10 EECERN CO[C@](C)(CO)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000862140011 1295717177 /nfs/dbraw/zinc/71/71/77/1295717177.db2.gz QOXBGVSMTIDIBO-IBGZPJMESA-N 0 0 344.411 2.034 10 10 EECERN COc1ccc(CN2CC[C@H]2CNC(=O)C2=CC(=O)CS2)cc1 ZINC000862753944 1295950641 /nfs/dbraw/zinc/95/06/41/1295950641.db2.gz MIMMGRVRGDRIKR-ZDUSSCGKSA-N 0 0 332.425 2.467 10 10 EECERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(O)c(O)c1 ZINC001140345481 1314874333 /nfs/dbraw/zinc/87/43/33/1314874333.db2.gz KOZIRZKOBBQNSB-UHFFFAOYSA-N 0 0 330.340 2.250 10 10 EECERN CN(Cc1nc(-c2cccs2)no1)C(=O)Cc1ccc(O)c(O)c1 ZINC001140440279 1314890715 /nfs/dbraw/zinc/89/07/15/1314890715.db2.gz PTFBEVYGASAXHN-UHFFFAOYSA-N 0 0 345.380 2.410 10 10 EECERN CC[C@@H](C)C[C@@H](NCc1cc(OC)c(OC)cc1O)C(=O)OC ZINC000843416547 1315911506 /nfs/dbraw/zinc/91/15/06/1315911506.db2.gz UUYWTDIKTTXAJP-DGCLKSJQSA-N 0 0 325.405 2.477 10 10 EECERN C[C@H]1C(=O)N(C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843435145 1315914617 /nfs/dbraw/zinc/91/46/17/1315914617.db2.gz IQSRZZIFXJVSTF-ZDUSSCGKSA-N 0 0 332.404 2.205 10 10 EECERN CCC/C=C/[C@@H](O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001150239992 1316211901 /nfs/dbraw/zinc/21/19/01/1316211901.db2.gz LYBPMPHNUFQVSP-SQRWCISFSA-N 0 0 336.407 2.200 10 10 EECERN Cc1cc(CC(=O)N[C@@H](CO)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC001152915664 1316743413 /nfs/dbraw/zinc/74/34/13/1316743413.db2.gz SUWICOZHEXTRQP-APWZRJJASA-N 0 0 342.439 2.150 10 10 EECERN Cc1ccn2c(c1)ncc(C(=O)NCc1cc(Cl)ccc1O)c2=O ZINC001165499091 1321535078 /nfs/dbraw/zinc/53/50/78/1321535078.db2.gz VZACUPVJZNKCDO-UHFFFAOYSA-N 0 0 343.770 2.292 10 10 EECERN C/C=C(\C)C(=O)N[C@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285066128 1326852153 /nfs/dbraw/zinc/85/21/53/1326852153.db2.gz IFAOVIFNLOWAIP-JXENDGLBSA-N 0 0 345.403 2.440 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(-c3ccncc3)c2)c1 ZINC001294936582 1329765591 /nfs/dbraw/zinc/76/55/91/1329765591.db2.gz HMLOBJHWVKGBIU-GFCCVEGCSA-N 0 0 338.367 2.473 10 10 EECERN CC(=O)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001297499809 1329977085 /nfs/dbraw/zinc/97/70/85/1329977085.db2.gz JYTCWWDXGURZHX-UHFFFAOYSA-N 0 0 331.376 2.028 10 10 EECERN COc1ccc(CS(C)(=O)=O)cc1NC(=O)C1=CC(=O)CS1 ZINC001297735441 1329999870 /nfs/dbraw/zinc/99/98/70/1329999870.db2.gz FHWAZSRDYBHIDY-UHFFFAOYSA-N 0 0 341.410 2.259 10 10 EECERN Cc1cc(C(=O)NCc2cc(=O)c(O)co2)c(C)n1-c1ccccn1 ZINC001304515661 1331386498 /nfs/dbraw/zinc/38/64/98/1331386498.db2.gz ONZHVUGVCZKMLW-UHFFFAOYSA-N 0 0 339.351 2.078 10 10 EECERN CC(C)[C@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC001323464332 1333469088 /nfs/dbraw/zinc/46/90/88/1333469088.db2.gz CQGKPTBTWWJUID-LBPRGKRZSA-N 0 0 341.502 2.246 10 10 EECERN COc1cc(N2CCN(C(=O)C34CC(C3)C4)CC2)cc(OC)c1OC ZINC001328938234 1334552176 /nfs/dbraw/zinc/55/21/76/1334552176.db2.gz ZSJSBLSZLJRJRG-UHFFFAOYSA-N 0 0 346.427 2.161 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3noc(C)n3)C2)cc1 ZINC001330620393 1334878556 /nfs/dbraw/zinc/87/85/56/1334878556.db2.gz DXRZXPGRLBIHEM-YPMHNXCESA-N 0 0 345.403 2.026 10 10 EECERN CC(C)(C)OC(=O)Cn1ccc(NC(=O)NCc2ccccc2O)n1 ZINC001330808918 1334906701 /nfs/dbraw/zinc/90/67/01/1334906701.db2.gz RJJIJKGVFGYRDO-UHFFFAOYSA-N 0 0 346.387 2.252 10 10 EECERN CC(C)CC(=O)N(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001334353786 1336243459 /nfs/dbraw/zinc/24/34/59/1336243459.db2.gz PJHJZQIJCGUVCG-GFCCVEGCSA-N 0 0 347.419 2.472 10 10 EECERN C[C@@H]1CC=CC[C@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC001335598812 1336399686 /nfs/dbraw/zinc/39/96/86/1336399686.db2.gz OKOIFGHFICYWET-VXGBXAGGSA-N 0 0 339.486 2.212 10 10 EECERN CCc1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C ZINC001613914628 1352316527 /nfs/dbraw/zinc/31/65/27/1352316527.db2.gz FMNPLCRKSPLMIJ-QGZVFWFLSA-N 0 0 343.475 2.488 10 10 EECERN CC[C@H]1CN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC001614207801 1352318523 /nfs/dbraw/zinc/31/85/23/1352318523.db2.gz PALMBPZCQTYVIG-HNNXBMFYSA-N 0 0 347.438 2.455 10 10 EECERN Cn1cnc(/C=C/C(=O)N2CCOc3ncc(Br)cc32)c1 ZINC001435847074 1342001836 /nfs/dbraw/zinc/00/18/36/1342001836.db2.gz YZLDLUFWUDDRCX-NSCUHMNNSA-N 0 0 349.188 2.016 10 10 EECERN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001625358083 1352446993 /nfs/dbraw/zinc/44/69/93/1352446993.db2.gz ZTNKPZYCAWLZQK-OWCSCZDJSA-N 0 0 346.408 2.039 10 10 EECERN Cn1cc(C(=O)NCc2ccc(O)cc2O)c(-c2cccs2)n1 ZINC001626837827 1352474529 /nfs/dbraw/zinc/47/45/29/1352474529.db2.gz GEAVTFHNDKSMSW-UHFFFAOYSA-N 0 0 329.381 2.490 10 10 EECERN Cc1cc(C(=O)NCCn2cnnc2)c(C)n1-c1ccc(F)cc1 ZINC001627900867 1352513088 /nfs/dbraw/zinc/51/30/88/1352513088.db2.gz SPUDYCGJWXYBIC-UHFFFAOYSA-N 0 0 327.363 2.255 10 10 EECERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001628201056 1352525290 /nfs/dbraw/zinc/52/52/90/1352525290.db2.gz ASZIBYHCNVNYAG-MNOVXSKESA-N 0 0 338.404 2.058 10 10 EECERN CC(C)n1cnnc1[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001633122287 1352605740 /nfs/dbraw/zinc/60/57/40/1352605740.db2.gz XHZNAFJPRUCGIW-AWEZNQCLSA-N 0 0 344.415 2.219 10 10 EECERN Cc1nn(-c2ccccn2)c(C)c1CC(=O)NCc1ccccc1O ZINC001636058110 1352657546 /nfs/dbraw/zinc/65/75/46/1352657546.db2.gz PZSXEQDRDIOYFC-UHFFFAOYSA-N 0 0 336.395 2.449 10 10 EECERN CCC[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC ZINC001638030084 1352684232 /nfs/dbraw/zinc/68/42/32/1352684232.db2.gz FSOKHDVLKFIPAA-MCIONIFRSA-N 0 0 335.400 2.124 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCCCCCNC(=O)CC2)cc1 ZINC001643355215 1352746609 /nfs/dbraw/zinc/74/66/09/1352746609.db2.gz JABLDPJGQKWXOO-UHFFFAOYSA-N 0 0 345.403 2.372 10 10 EECERN O=C(Cn1c(=O)oc2ccccc21)NCc1cc(Cl)ccc1O ZINC001644587949 1352764069 /nfs/dbraw/zinc/76/40/69/1352764069.db2.gz VZKNSPNTULCQCH-UHFFFAOYSA-N 0 0 332.743 2.270 10 10 EECERN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1c(F)ccc(O)c1O ZINC001648598207 1353435478 /nfs/dbraw/zinc/43/54/78/1353435478.db2.gz WUYGVSCPXMQPIM-GFCCVEGCSA-N 0 0 333.315 2.499 10 10 EECERN NC(=O)c1ncc(NC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001651649894 1354059272 /nfs/dbraw/zinc/05/92/72/1354059272.db2.gz PPRGORSTONUFQC-UHFFFAOYSA-N 0 0 335.366 2.120 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](c3nnc[nH]3)C2)cc1OC ZINC001652186536 1354080572 /nfs/dbraw/zinc/08/05/72/1354080572.db2.gz YHVCQIZKWWYWAD-SNVBAGLBSA-N 0 0 333.348 2.114 10 10 EECERN CCCC[C@@H](NC(N)=O)C(=O)NCc1c(O)ccc2ccccc21 ZINC001652706038 1354099582 /nfs/dbraw/zinc/09/95/82/1354099582.db2.gz SUYIIPAZZUGWAN-OAHLLOKOSA-N 0 0 329.400 2.389 10 10 EECERN C/C=C(/C)C(=O)N(CC)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001688405939 1358947697 /nfs/dbraw/zinc/94/76/97/1358947697.db2.gz XAKJTHZTCMITEV-RABQWEHASA-N 0 0 345.403 2.394 10 10 EECERN COc1ccc(O)c(CNC(=O)N[C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000918746399 769365965 /nfs/dbraw/zinc/36/59/65/769365965.db2.gz YAGBELKFEDLFKA-SUMWQHHRSA-N 0 0 334.416 2.405 10 10 EECERN C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)C(C)(C)C ZINC000846732712 790477078 /nfs/dbraw/zinc/47/70/78/790477078.db2.gz QOYYGFVLVRJZHY-SNVBAGLBSA-N 0 0 329.491 2.292 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\[C@@H]1CCCO1 ZINC000819040172 785371740 /nfs/dbraw/zinc/37/17/40/785371740.db2.gz WGWULWDWUXSXLS-GIFJBRJJSA-N 0 0 330.428 2.217 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)c3cn(C)nc3Cl)C2)cc1 ZINC000819591310 785600231 /nfs/dbraw/zinc/60/02/31/785600231.db2.gz QUURZJJMGNHPHQ-LBPRGKRZSA-N 0 0 348.834 2.338 10 10 EECERN Nc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1-c1ccccn1 ZINC001146231661 791142343 /nfs/dbraw/zinc/14/23/43/791142343.db2.gz HBFUMDVAEFSEDJ-UHFFFAOYSA-N 0 0 343.774 2.139 10 10 EECERN C[C@H]1CN(c2ccc(CNc3cnc(CO)cn3)cc2F)C[C@H](C)O1 ZINC000820635947 785999097 /nfs/dbraw/zinc/99/90/97/785999097.db2.gz ZUIWUFVPWBJMCM-STQMWFEESA-N 0 0 346.406 2.334 10 10 EECERN COc1ccc(N2CCCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)cc1 ZINC000822920104 787461393 /nfs/dbraw/zinc/46/13/93/787461393.db2.gz VAHRWISNTUNZIC-UHFFFAOYSA-N 0 0 341.411 2.077 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)NCC[C@H]3CCOC3)C2)cc1 ZINC000823462638 787761638 /nfs/dbraw/zinc/76/16/38/787761638.db2.gz WIANFNHGLXFRNL-JKSUJKDBSA-N 0 0 347.459 2.247 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2n1CCOC2 ZINC000824234886 788094570 /nfs/dbraw/zinc/09/45/70/788094570.db2.gz WHKPXJIPXZZKQJ-UHFFFAOYSA-N 0 0 328.416 2.142 10 10 EECERN Cc1nn(C)c(N2CCC2)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000913248584 788727369 /nfs/dbraw/zinc/72/73/69/788727369.db2.gz ANMHKKDJUSTOID-FNORWQNLSA-N 0 0 328.372 2.002 10 10 EECERN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1cccc(O)c1O ZINC001176564746 798498269 /nfs/dbraw/zinc/49/82/69/798498269.db2.gz DQKUYAPVHGULMW-GFCCVEGCSA-N 0 0 338.363 2.229 10 10 EECERN COC(=O)[C@@H]1[C@@H](CN2CCOc3cc(N(C)C)ccc32)C1(F)F ZINC000787778542 807232547 /nfs/dbraw/zinc/23/25/47/807232547.db2.gz WBFSONKVULOSQJ-RISCZKNCSA-N 0 0 326.343 2.006 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ncccc1F ZINC000791337090 809185931 /nfs/dbraw/zinc/18/59/31/809185931.db2.gz UUBBACRSJNRPSD-AWEZNQCLSA-N 0 0 343.402 2.477 10 10 EECERN Nc1ccc(Cc2nc(C(=O)OCc3ncccn3)cs2)cc1 ZINC000791443028 809245002 /nfs/dbraw/zinc/24/50/02/809245002.db2.gz PUHASDLXAQPRIO-UHFFFAOYSA-N 0 0 326.381 2.463 10 10 EECERN C[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000805153934 811161759 /nfs/dbraw/zinc/16/17/59/811161759.db2.gz DKJPFNKWVHEYOM-UWVGGRQHSA-N 0 0 343.221 2.379 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000808517832 812687805 /nfs/dbraw/zinc/68/78/05/812687805.db2.gz OPJWIKGGPPOXGF-IBGZPJMESA-N 0 0 337.375 2.492 10 10 EECERN CC(=O)C(=O)COC(=O)CCc1ccc(C)cc1Br ZINC000808538299 812709271 /nfs/dbraw/zinc/70/92/71/812709271.db2.gz MOLHSXSNOIOHNH-UHFFFAOYSA-N 0 0 327.174 2.391 10 10 EECERN O=C(C=Cc1ccccc1)NCCCNC(=O)C1=CC(=O)CS1 ZINC001448191897 1104152967 /nfs/dbraw/zinc/15/29/67/1104152967.db2.gz CUOUMXFWYOPJRE-BQYQJAHWSA-N 0 0 330.409 2.403 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2ccccc2NC1=O ZINC001452658978 1105625109 /nfs/dbraw/zinc/62/51/09/1105625109.db2.gz BHHGICHEKABWHN-MLBQELRYSA-N 0 0 338.363 2.181 10 10 EECERN Cc1nn(C2CCOCC2)c(C)c1C(=O)NCc1cc(O)ccc1O ZINC001455354428 1108472774 /nfs/dbraw/zinc/47/27/74/1108472774.db2.gz NFTAAQAPLPEVEA-UHFFFAOYSA-N 0 0 345.399 2.193 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC001456310559 1109139187 /nfs/dbraw/zinc/13/91/87/1109139187.db2.gz CNPIDMFLLTWOPC-LRDDRELGSA-N 0 0 327.336 2.018 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc(Br)cc1O ZINC001471661571 1110527659 /nfs/dbraw/zinc/52/76/59/1110527659.db2.gz SYWWKEHAJBEEQI-UHFFFAOYSA-N 0 0 338.157 2.496 10 10 EECERN CN(C#N)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC001523360974 1119766868 /nfs/dbraw/zinc/76/68/68/1119766868.db2.gz RIXWTZFGCVSEAU-XYOKQWHBSA-N 0 0 349.412 2.356 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001540764288 1124093033 /nfs/dbraw/zinc/09/30/33/1124093033.db2.gz MHGWRRGFZQFHJF-QGZVFWFLSA-N 0 0 331.343 2.380 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N(CCO)C2CCSCC2)cc1 ZINC001568403283 1124472186 /nfs/dbraw/zinc/47/21/86/1124472186.db2.gz DJMMNPPSGMKRMH-UHFFFAOYSA-N 0 0 336.417 2.179 10 10 EECERN CC(C)CCSCC(=O)NCc1ccc(N2CCNC(=O)C2)cc1 ZINC000056396619 214374137 /nfs/dbraw/zinc/37/41/37/214374137.db2.gz JNQHZZIVRFIQFF-UHFFFAOYSA-N 0 0 349.500 2.018 10 10 EECERN NC(=O)c1cccc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804733597 675609156 /nfs/dbraw/zinc/60/91/56/675609156.db2.gz VGVLQIPSEYCUQW-UHFFFAOYSA-N 0 0 349.184 2.184 10 10 EECERN CC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](O)C(F)F ZINC000297104582 465245194 /nfs/dbraw/zinc/24/51/94/465245194.db2.gz GECWQTAPPPMNBP-WCQYABFASA-N 0 0 333.354 2.096 10 10 EECERN CC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)C(F)F ZINC000297126632 465245976 /nfs/dbraw/zinc/24/59/76/465245976.db2.gz GTUQVFYGEJQEQC-GJZGRUSLSA-N 0 0 339.386 2.267 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 ZINC000155947689 462962807 /nfs/dbraw/zinc/96/28/07/462962807.db2.gz YNMMSBXHGOEMFZ-AWEZNQCLSA-N 0 0 326.352 2.143 10 10 EECERN COC(=O)[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125798922 463580437 /nfs/dbraw/zinc/58/04/37/463580437.db2.gz ZXXBBCSOVFCYMQ-ZYHUDNBSSA-N 0 0 334.199 2.461 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000288851262 464060433 /nfs/dbraw/zinc/06/04/33/464060433.db2.gz AFLFZLMUZUNTLD-YOEHRIQHSA-N 0 0 340.489 2.472 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)Cc2noc(C)n2)c([N+](=O)[O-])c1 ZINC000179992440 464221144 /nfs/dbraw/zinc/22/11/44/464221144.db2.gz BVNWXAZNJFBRQX-FNORWQNLSA-N 0 0 332.316 2.109 10 10 EECERN COc1ccc(O)c(CN2CCN(Cc3cnc(C)s3)CC2)c1 ZINC000180080897 464238115 /nfs/dbraw/zinc/23/81/15/464238115.db2.gz WTBKUOJUPQQDQV-UHFFFAOYSA-N 0 0 333.457 2.484 10 10 EECERN Cc1cc(C(=O)N2CC[C@@H](NC(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000270606576 464261768 /nfs/dbraw/zinc/26/17/68/464261768.db2.gz HQACCQIYDLUAKI-OAHLLOKOSA-N 0 0 340.427 2.285 10 10 EECERN COC(C)(C)CS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000281248928 464386387 /nfs/dbraw/zinc/38/63/87/464386387.db2.gz UOUOAFKHPRARQL-UHFFFAOYSA-N 0 0 326.462 2.131 10 10 EECERN COc1nccnc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294498961 464517962 /nfs/dbraw/zinc/51/79/62/464517962.db2.gz AVUMSMDMMDSYRG-OAHLLOKOSA-N 0 0 329.400 2.372 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnc2ccncc21 ZINC000274924821 464759946 /nfs/dbraw/zinc/75/99/46/464759946.db2.gz YRNLGZGIDUPWPD-UHFFFAOYSA-N 0 0 348.406 2.396 10 10 EECERN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@@H]4OCCC[C@H]34)ccc21 ZINC000251901650 464947055 /nfs/dbraw/zinc/94/70/55/464947055.db2.gz RAAXVVQEXXMDSD-NUJGCVRESA-N 0 0 329.444 2.436 10 10 EECERN Cc1ccnc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000348199566 465486739 /nfs/dbraw/zinc/48/67/39/465486739.db2.gz HMWPOIZHBPBILU-UHFFFAOYSA-N 0 0 338.392 2.253 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000375236433 466831311 /nfs/dbraw/zinc/83/13/11/466831311.db2.gz GDGHNFKVOROKAV-UGAXZCSASA-N 0 0 336.351 2.135 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000365496538 466837638 /nfs/dbraw/zinc/83/76/38/466837638.db2.gz XTAONFBKULEPGZ-MQVJKMGUSA-N 0 0 331.412 2.373 10 10 EECERN NC(=O)c1cc([N+](=O)[O-])cnc1NCCCSc1nccs1 ZINC000733995009 577269026 /nfs/dbraw/zinc/26/90/26/577269026.db2.gz ZWOMQEVSVMEUIJ-UHFFFAOYSA-N 0 0 339.402 2.140 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000772905931 577305156 /nfs/dbraw/zinc/30/51/56/577305156.db2.gz DLZBUIKSEWEBNY-UHFFFAOYSA-N 0 0 345.403 2.447 10 10 EECERN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000775371878 577436077 /nfs/dbraw/zinc/43/60/77/577436077.db2.gz XEAODMBDGVTHSZ-AGMJWKPSSA-N 0 0 348.399 2.094 10 10 EECERN C[C@H]1CCN(c2cc(C(=O)NCCc3ccc(O)c(O)c3)ccn2)C1 ZINC000762268083 577698419 /nfs/dbraw/zinc/69/84/19/577698419.db2.gz AGLSHWKVZDQRLO-ZDUSSCGKSA-N 0 0 341.411 2.312 10 10 EECERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@H]2CCC2(F)F)c1 ZINC000866842535 674593467 /nfs/dbraw/zinc/59/34/67/674593467.db2.gz XIVQUIJIMVJOOF-NXEZZACHSA-N 0 0 335.372 2.427 10 10 EECERN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@@H]2CCC2(F)F)c1 ZINC000866842540 674593589 /nfs/dbraw/zinc/59/35/89/674593589.db2.gz XIVQUIJIMVJOOF-ZJUUUORDSA-N 0 0 335.372 2.427 10 10 EECERN CC[C@@H](CO)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177351319 675906951 /nfs/dbraw/zinc/90/69/51/675906951.db2.gz ICPXWYXFFZZFTL-HNNXBMFYSA-N 0 0 340.851 2.137 10 10 EECERN C[C@@H](C(=O)NCc1cc(Br)ccc1O)c1cncnc1 ZINC000804736886 675610970 /nfs/dbraw/zinc/61/09/70/675610970.db2.gz CTOYWQHPXPSIDF-SECBINFHSA-N 0 0 336.189 2.365 10 10 EECERN CN(C)[C@H](CCNC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000926830580 682882695 /nfs/dbraw/zinc/88/26/95/682882695.db2.gz KVGWJYIQFFOCEL-CYBMUJFWSA-N 0 0 331.338 2.300 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCC[C@@H]2CC(=O)N(C)C2)cc1 ZINC000914255038 683432045 /nfs/dbraw/zinc/43/20/45/683432045.db2.gz VXPWXXOQSRTIOC-MRXNPFEDSA-N 0 0 346.475 2.200 10 10 EECERN CC(=O)NCC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895860993 684744598 /nfs/dbraw/zinc/74/45/98/684744598.db2.gz AMWBRFMGNFQXKJ-UHFFFAOYSA-N 0 0 348.424 2.301 10 10 EECERN O=C1CC2(CCC2)[N@H+](Cc2cccc(Br)c2[O-])CCN1 ZINC000895927731 684777725 /nfs/dbraw/zinc/77/77/25/684777725.db2.gz AWWULZFMLKTXLS-UHFFFAOYSA-N 0 0 339.233 2.399 10 10 EECERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895949065 684785499 /nfs/dbraw/zinc/78/54/99/684785499.db2.gz HDRUXHIDYVUJEI-BDAKNGLRSA-N 0 0 336.413 2.346 10 10 EECERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000898630608 693405309 /nfs/dbraw/zinc/40/53/09/693405309.db2.gz LRCCCEMVFOOFQY-WCZJQEMASA-N 0 0 343.471 2.119 10 10 EECERN CO[C@@H]1COCC[C@H]1N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899224948 693670749 /nfs/dbraw/zinc/67/07/49/693670749.db2.gz YEZSKSOBCNJTNF-ZWNOBZJWSA-N 0 0 337.397 2.188 10 10 EECERN COc1cc(Br)cc([C@@H](C)NCC(F)(F)CO)c1O ZINC000848545180 1186199991 /nfs/dbraw/zinc/19/99/91/1186199991.db2.gz AXYAABMZJSMBBU-SSDOTTSWSA-N 0 0 340.164 2.442 10 10 EECERN COCCn1ncc(C(=O)NCc2ccc3c(c2)CCCN3C)c1C ZINC000865052334 1198064377 /nfs/dbraw/zinc/06/43/77/1198064377.db2.gz BNFMXPKBXTYXPX-UHFFFAOYSA-N 0 0 342.443 2.150 10 10 EECERN Fc1cc(CNCc2cn(C3CC3)cn2)ccc1N1CCOCC1 ZINC000865419322 1198208019 /nfs/dbraw/zinc/20/80/19/1198208019.db2.gz WQRFVATUELRXIC-UHFFFAOYSA-N 0 0 330.407 2.484 10 10 EECERN OC1CCN(c2ccc(CNCc3cn(C4CC4)cn3)cc2)CC1 ZINC000865631236 1198306750 /nfs/dbraw/zinc/30/67/50/1198306750.db2.gz CHHXSGBZRYCFPI-UHFFFAOYSA-N 0 0 326.444 2.469 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1 ZINC000124554295 1198621541 /nfs/dbraw/zinc/62/15/41/1198621541.db2.gz XHDCFKFEWDCXFJ-JQWIXIFHSA-N 0 0 332.404 2.424 10 10 EECERN C[C@@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccc(N(C)C)cc1 ZINC000811906257 1200398318 /nfs/dbraw/zinc/39/83/18/1200398318.db2.gz UYFNWLMNPAKTTG-TZMCWYRMSA-N 0 0 327.432 2.393 10 10 EECERN O=C(NCc1ccc(OCC(F)(F)F)nn1)C1=CC(=O)CS1 ZINC000880666811 1201555760 /nfs/dbraw/zinc/55/57/60/1201555760.db2.gz CPBRSUGIAZVZHK-UHFFFAOYSA-N 0 0 333.291 2.115 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cnn3c2CCCC3)c1 ZINC000866765775 1201600842 /nfs/dbraw/zinc/60/08/42/1201600842.db2.gz ZKRNPGZLZXEMRL-GFCCVEGCSA-N 0 0 329.400 2.354 10 10 EECERN CC/C=C(\F)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000867680335 1201657109 /nfs/dbraw/zinc/65/71/09/1201657109.db2.gz IJRVPYLNUYGUQH-INGKJJEOSA-N 0 0 333.407 2.235 10 10 EECERN C[C@H](NC(=O)NC1CCN(CC(F)F)CC1)c1ccccc1O ZINC000868210263 1201765236 /nfs/dbraw/zinc/76/52/36/1201765236.db2.gz PJQRSHIKVVWTGX-NSHDSACASA-N 0 0 327.375 2.482 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](C)O[C@H]3C)C2)cc1 ZINC000868762438 1201874334 /nfs/dbraw/zinc/87/43/34/1201874334.db2.gz OHXLLPAEHVTJQJ-XJIUQZFPSA-N 0 0 333.432 2.139 10 10 EECERN CN(Cc1ccccc1O)C(=O)NCc1nc2c(s1)COCC2 ZINC000927686405 1206290985 /nfs/dbraw/zinc/29/09/85/1206290985.db2.gz GRGIHDWEAOLBJX-UHFFFAOYSA-N 0 0 333.413 2.263 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN(C3CC3)C2=O)cc1 ZINC000929527439 1206483613 /nfs/dbraw/zinc/48/36/13/1206483613.db2.gz PALDKCOPBHVYLJ-KRWDZBQOSA-N 0 0 329.444 2.112 10 10 EECERN CC(=O)N1CCN(c2ccc(OCC3(O)CCCCC3)cc2)CC1 ZINC000305293208 1216165877 /nfs/dbraw/zinc/16/58/77/1216165877.db2.gz GWQIWBZVYMJTMV-UHFFFAOYSA-N 0 0 332.444 2.429 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3[nH]c(CO)nc32)c1 ZINC001137473794 1248708209 /nfs/dbraw/zinc/70/82/09/1248708209.db2.gz WIMDGGGJOCBSKE-SNVBAGLBSA-N 0 0 341.367 2.260 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)c2cc3c([nH]c2=O)CCOC3)cc1 ZINC000900027281 1233985131 /nfs/dbraw/zinc/98/51/31/1233985131.db2.gz RYGACQHODKIYOK-UHFFFAOYSA-N 0 0 341.411 2.198 10 10 EECERN Cc1cc(C(=O)CN(C)CCOCCO)c(C)n1-c1ccc(F)cc1 ZINC000800506072 1234231442 /nfs/dbraw/zinc/23/14/42/1234231442.db2.gz BQLRPGZGUNHGGJ-UHFFFAOYSA-N 0 0 348.418 2.357 10 10 EECERN CCc1nc(C)c(CC(=O)NCc2cccc(OC)c2O)c(C)n1 ZINC000901127563 1235256595 /nfs/dbraw/zinc/25/65/95/1235256595.db2.gz LFWCBSDTKDVEKK-UHFFFAOYSA-N 0 0 329.400 2.229 10 10 EECERN O=C(CN1C(=O)Cc2ccccc21)NCCCSc1nccs1 ZINC000827474545 1248160579 /nfs/dbraw/zinc/16/05/79/1248160579.db2.gz CTEDDSKFOHNTJP-UHFFFAOYSA-N 0 0 347.465 2.331 10 10 EECERN CCN(CC(=O)NC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000827510922 1248345028 /nfs/dbraw/zinc/34/50/28/1248345028.db2.gz KBYPJPUQCIIOCC-UHFFFAOYSA-N 0 0 327.428 2.231 10 10 EECERN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CS1(=O)=O ZINC000850368221 1277202612 /nfs/dbraw/zinc/20/26/12/1277202612.db2.gz JWTNESCBBHLDAD-MWLCHTKSSA-N 0 0 348.262 2.210 10 10 EECERN CO[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC000851988505 1291944346 /nfs/dbraw/zinc/94/43/46/1291944346.db2.gz ZTLKNDBAEOKQDI-WMZOPIPTSA-N 0 0 347.459 2.138 10 10 EECERN C[C@]1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1(F)F ZINC000852004496 1291949716 /nfs/dbraw/zinc/94/97/16/1291949716.db2.gz GJOKIILVCDBXPR-MRXNPFEDSA-N 0 0 339.386 2.368 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](OC)C3(C)C)C2)cc1 ZINC000852179399 1292028752 /nfs/dbraw/zinc/02/87/52/1292028752.db2.gz FTPWJQFENXIBCC-XKQJLSEDSA-N 0 0 347.459 2.387 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@](C)(OC)C3)C2)cc1 ZINC000852451336 1292117773 /nfs/dbraw/zinc/11/77/73/1292117773.db2.gz IINPMVHBJKFAAC-HNAYVOBHSA-N 0 0 347.459 2.484 10 10 EECERN CN(C)c1ccc(CNC(=O)CN2CCC(c3ccon3)CC2)cc1 ZINC000852673194 1292160117 /nfs/dbraw/zinc/16/01/17/1292160117.db2.gz MWLRFEDEBUFQJD-UHFFFAOYSA-N 0 0 342.443 2.236 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@](C)(O)CC3)C2)cc1 ZINC000854297051 1292709112 /nfs/dbraw/zinc/70/91/12/1292709112.db2.gz JBKMZHUXSDPLSR-DNVCBOLYSA-N 0 0 347.459 2.220 10 10 EECERN CCC[C@@H](CCO)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300072 1292711472 /nfs/dbraw/zinc/71/14/72/1292711472.db2.gz OZKYPJQZBYEVME-JKSUJKDBSA-N 0 0 349.475 2.372 10 10 EECERN CO[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCOC1 ZINC000855208192 1293110918 /nfs/dbraw/zinc/11/09/18/1293110918.db2.gz XJRUOUDDCMYZJF-RDJZCZTQSA-N 0 0 343.427 2.270 10 10 EECERN CNc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000855223223 1293116840 /nfs/dbraw/zinc/11/68/40/1293116840.db2.gz CZLDVDMBLPWJMY-AWEZNQCLSA-N 0 0 326.400 2.141 10 10 EECERN CCCNC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228669 1293120746 /nfs/dbraw/zinc/12/07/46/1293120746.db2.gz CQQSNDPKXUODLS-HNNXBMFYSA-N 0 0 347.459 2.087 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cccnc3OC)C2)cc1 ZINC000855230880 1293122228 /nfs/dbraw/zinc/12/22/28/1293122228.db2.gz FXJGTWRXYMFUQM-ZDUSSCGKSA-N 0 0 327.384 2.108 10 10 EECERN CO[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000856209545 1293445322 /nfs/dbraw/zinc/44/53/22/1293445322.db2.gz RUZUBNHOKHQGRO-SFHVURJKSA-N 0 0 332.444 2.079 10 10 EECERN CN1c2ccccc2CN(Cc2cc3c(cc2O)OCO3)CC1=O ZINC000857881212 1293939625 /nfs/dbraw/zinc/93/96/25/1293939625.db2.gz SEUUHNHLKGVVKF-UHFFFAOYSA-N 0 0 326.352 2.100 10 10 EECERN Cc1ccc(O)c(CNC(=O)NCCc2cnc(C3CC3)nc2)c1 ZINC000858322453 1294082362 /nfs/dbraw/zinc/08/23/62/1294082362.db2.gz YUCDXKCHLKUGBP-UHFFFAOYSA-N 0 0 326.400 2.410 10 10 EECERN COCCN(Cc1cncc(OC)n1)c1ccc(OC)c(OC)c1 ZINC000859196120 1294345834 /nfs/dbraw/zinc/34/58/34/1294345834.db2.gz LLYRUZGONLASJY-UHFFFAOYSA-N 0 0 333.388 2.155 10 10 EECERN Nc1ccc(NC(=O)NCC2(OCCO)CCC(F)(F)CC2)cc1 ZINC000859697224 1294605571 /nfs/dbraw/zinc/60/55/71/1294605571.db2.gz ADCACPLWSSMWIV-UHFFFAOYSA-N 0 0 343.374 2.347 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCC12OCCO2 ZINC000862026356 1295660917 /nfs/dbraw/zinc/66/09/17/1295660917.db2.gz LSQVNKBTOSCZDO-CQSZACIVSA-N 0 0 328.368 2.100 10 10 EECERN CCOC(=O)/C(=C\c1cn(C)nc1Br)c1nccn1C ZINC000863185038 1296142405 /nfs/dbraw/zinc/14/24/05/1296142405.db2.gz OGTKJJRKUHDHHU-YFHOEESVSA-N 0 0 339.193 2.020 10 10 EECERN COC(=O)[C@]1(OC)CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000863296608 1296205888 /nfs/dbraw/zinc/20/58/88/1296205888.db2.gz KPCNBNWNOAPWJJ-IBGZPJMESA-N 0 0 345.395 2.318 10 10 EECERN C[C@H]1CN(c2ccc(CNc3c[nH]c(=O)[nH]c3=O)cc2F)C[C@H](C)O1 ZINC001115858822 1305839125 /nfs/dbraw/zinc/83/91/25/1305839125.db2.gz CGJCGALLOPDWFE-QWRGUYRKSA-N 0 0 348.378 2.253 10 10 EECERN CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000841139260 1315487296 /nfs/dbraw/zinc/48/72/96/1315487296.db2.gz QJZWNNAJJGUZHS-INIZCTEOSA-N 0 0 338.411 2.295 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000841571536 1315580424 /nfs/dbraw/zinc/58/04/24/1315580424.db2.gz YSHRRGKWAOROJR-ZQIUZPCESA-N 0 0 340.489 2.089 10 10 EECERN COC(=O)[C@H](CC(C)(C)C)NCc1cc(OC)c(OC)cc1O ZINC000843422946 1315911935 /nfs/dbraw/zinc/91/19/35/1315911935.db2.gz JUSHPMKHTINYFW-LBPRGKRZSA-N 0 0 325.405 2.477 10 10 EECERN C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000843428740 1315913740 /nfs/dbraw/zinc/91/37/40/1315913740.db2.gz MSIKNELMYTZNOP-JTQLQIEISA-N 0 0 346.258 2.251 10 10 EECERN CO[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)CS3)Cc3cccnc3N2C1 ZINC001261885969 1322193548 /nfs/dbraw/zinc/19/35/48/1322193548.db2.gz QLHUEUVRVHOZSH-GXTWGEPZSA-N 0 0 345.424 2.098 10 10 EECERN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC001263700504 1322504102 /nfs/dbraw/zinc/50/41/02/1322504102.db2.gz YKPDYHZIWLUOSX-GOEBONIOSA-N 0 0 333.432 2.284 10 10 EECERN C[C@@H](C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001284511084 1326592815 /nfs/dbraw/zinc/59/28/15/1326592815.db2.gz REGYLGCREBJOQQ-LLVKDONJSA-N 0 0 345.403 2.083 10 10 EECERN C/C=C(/C)C(=O)N[C@@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285066127 1326852094 /nfs/dbraw/zinc/85/20/94/1326852094.db2.gz IFAOVIFNLOWAIP-IOIXAKNTSA-N 0 0 345.403 2.440 10 10 EECERN CC(C)=CC(=O)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001285935652 1327216171 /nfs/dbraw/zinc/21/61/71/1327216171.db2.gz MXOSCGWTOGAORZ-UHFFFAOYSA-N 0 0 343.387 2.194 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001290373950 1328187346 /nfs/dbraw/zinc/18/73/46/1328187346.db2.gz FMYRQLUFOHYMMD-INIZCTEOSA-N 0 0 348.468 2.194 10 10 EECERN CCOC(=O)[C@@H](C(=O)NCc1cccc(OC)c1O)c1ccccc1 ZINC001294925611 1329764637 /nfs/dbraw/zinc/76/46/37/1329764637.db2.gz QRVOOOBHDMCMOM-MRXNPFEDSA-N 0 0 343.379 2.364 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(CNC(C)=O)c1 ZINC001297562468 1329983726 /nfs/dbraw/zinc/98/37/26/1329983726.db2.gz LTXNITZEUDAFBR-UHFFFAOYSA-N 0 0 347.411 2.444 10 10 EECERN C[C@H](NC(=O)c1ccc(S(C)(=O)=O)s1)c1ccccc1O ZINC001302538445 1331328720 /nfs/dbraw/zinc/32/87/20/1331328720.db2.gz RFXLSRPYQUVUTA-VIFPVBQESA-N 0 0 325.411 2.348 10 10 EECERN CCc1nnc(N2CCOCC2)n1Cc1ccc(N(C)C)cc1C ZINC001306221244 1331463998 /nfs/dbraw/zinc/46/39/98/1331463998.db2.gz BPRXOYOWLLAGFK-UHFFFAOYSA-N 0 0 329.448 2.100 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@]34CCOC4)C2)cc1 ZINC001325910791 1333992289 /nfs/dbraw/zinc/99/22/89/1333992289.db2.gz LGIBWEFIJGQLBA-DNVCBOLYSA-N 0 0 345.443 2.096 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3c(C)cc[nH]c3=O)C2)cc1 ZINC001328372741 1334451294 /nfs/dbraw/zinc/45/12/94/1334451294.db2.gz HWBQUMMVWGQSFS-ZDUSSCGKSA-N 0 0 327.384 2.113 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N2CCCC23CCC3)cc1F ZINC001332561760 1335850656 /nfs/dbraw/zinc/85/06/56/1335850656.db2.gz UIOMLXDLBWEJLS-UHFFFAOYSA-N 0 0 333.407 2.053 10 10 EECERN Cc1c(Br)c(C(=O)N2Cc3cccc(O)c3C2)nn1C ZINC001347384767 1337507817 /nfs/dbraw/zinc/50/78/17/1337507817.db2.gz ITCGHYRIWWTNAA-UHFFFAOYSA-N 0 0 336.189 2.353 10 10 EECERN CCOc1ccc(N2CCN(C(=O)c3nnc(C4CC4)o3)CC2)cc1 ZINC001350586190 1337727011 /nfs/dbraw/zinc/72/70/11/1337727011.db2.gz TVYVDGHBIGSFPX-UHFFFAOYSA-N 0 0 342.399 2.308 10 10 EECERN NC(=O)CC1([NH2+]Cc2cc(Br)cc(F)c2[O-])CCC1 ZINC001353585405 1338293810 /nfs/dbraw/zinc/29/38/10/1338293810.db2.gz VLSSUNAEPZXIPW-UHFFFAOYSA-N 0 0 331.185 2.182 10 10 EECERN COC(=O)CC1(CNC(=O)c2c(F)ccc(O)c2O)CCCC1 ZINC001611683186 1352303468 /nfs/dbraw/zinc/30/34/68/1352303468.db2.gz QUFNLNMEIDRSMI-UHFFFAOYSA-N 0 0 325.336 2.090 10 10 EECERN CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(O)c1O ZINC001615032481 1352322772 /nfs/dbraw/zinc/32/27/72/1352322772.db2.gz WMIYAKZJUAPOFK-LBPRGKRZSA-N 0 0 329.352 2.400 10 10 EECERN CCCOC(=O)[C@@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001620515300 1352359994 /nfs/dbraw/zinc/35/99/94/1352359994.db2.gz GXEZLBWRKBFBDD-CQSZACIVSA-N 0 0 336.432 2.168 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1nnc(C(F)F)o1 ZINC001556515732 1342430178 /nfs/dbraw/zinc/43/01/78/1342430178.db2.gz JSQIFRGLBWHOSM-UHFFFAOYSA-N 0 0 346.330 2.448 10 10 EECERN Cc1cc(CC(=O)Nc2ccn(C)c(=O)n2)c(C)n1-c1ccccc1 ZINC001586345820 1348849778 /nfs/dbraw/zinc/84/97/78/1348849778.db2.gz XAZRNCYKRIPEKY-UHFFFAOYSA-N 0 0 336.395 2.203 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001595751061 1349894101 /nfs/dbraw/zinc/89/41/01/1349894101.db2.gz CXTULWCBWMEDLP-LSDHHAIUSA-N 0 0 342.351 2.468 10 10 EECERN CC[C@@H](C)OCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001597567512 1349927545 /nfs/dbraw/zinc/92/75/45/1349927545.db2.gz QDWKFBRYMOTJMP-LLVKDONJSA-N 0 0 343.807 2.362 10 10 EECERN CCn1cc(C(=O)NCc2c(O)cccc2O)c(C(F)(F)F)n1 ZINC001597574873 1349928064 /nfs/dbraw/zinc/92/80/64/1349928064.db2.gz UZCQKUVBGSSTHB-UHFFFAOYSA-N 0 0 329.278 2.263 10 10 EECERN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[C@H]1CCC(=O)N1 ZINC001623549944 1352399595 /nfs/dbraw/zinc/39/95/95/1352399595.db2.gz NRKFXYYBLFAHJU-WMLDXEAASA-N 0 0 329.444 2.160 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccsn1 ZINC001623929162 1352408949 /nfs/dbraw/zinc/40/89/49/1352408949.db2.gz VLIAKISCWVFQFH-UHFFFAOYSA-N 0 0 340.788 2.318 10 10 EECERN COC(=O)c1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)oc1C ZINC001625485667 1352450018 /nfs/dbraw/zinc/45/00/18/1352450018.db2.gz VCQOGTDNDLMUJJ-UHFFFAOYSA-N 0 0 344.327 2.467 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC001626838197 1352475058 /nfs/dbraw/zinc/47/50/58/1352475058.db2.gz QULWFXDEZLXOOW-UHFFFAOYSA-N 0 0 328.299 2.421 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001627029069 1352480832 /nfs/dbraw/zinc/48/08/32/1352480832.db2.gz WGELLPQTQOHMQF-UHFFFAOYSA-N 0 0 336.344 2.298 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1 ZINC001628643778 1352539262 /nfs/dbraw/zinc/53/92/62/1352539262.db2.gz XHKZFYRYXKJRBR-UHFFFAOYSA-N 0 0 343.387 2.076 10 10 EECERN Cn1cc(Br)c(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC001639965424 1352703501 /nfs/dbraw/zinc/70/35/01/1352703501.db2.gz IZAWLLYFOQPWNS-UHFFFAOYSA-N 0 0 344.596 2.472 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@@H]1CCCCN1Cc1ccncc1 ZINC001647268788 1353212943 /nfs/dbraw/zinc/21/29/43/1353212943.db2.gz CIACAMMXFBKJTK-INIZCTEOSA-N 0 0 341.411 2.164 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1ccc2c(c1)NC(=O)CO2 ZINC001647827166 1353404347 /nfs/dbraw/zinc/40/43/47/1353404347.db2.gz ZRIUIXKREXGSPV-UHFFFAOYSA-N 0 0 332.743 2.307 10 10 EECERN Cn1c(=O)cc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)[nH]c1=O ZINC001651395309 1354051179 /nfs/dbraw/zinc/05/11/79/1354051179.db2.gz PQUWKQLGJYXURG-UHFFFAOYSA-N 0 0 340.358 2.400 10 10 EECERN Cc1cc(NCc2ccc3cccnc3c2O)nc(S(C)(=O)=O)n1 ZINC001651961248 1354071557 /nfs/dbraw/zinc/07/15/57/1354071557.db2.gz KMNOEMFOAINBNL-UHFFFAOYSA-N 0 0 344.396 2.054 10 10 EECERN CC(=O)N(C)c1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001656571327 1354249036 /nfs/dbraw/zinc/24/90/36/1354249036.db2.gz GTCSXJHNJRBXOG-UHFFFAOYSA-N 0 0 346.408 2.079 10 10 EECERN COc1ccc(CCNC(=O)NCc2c(O)cccc2F)cc1O ZINC001683823249 1358203176 /nfs/dbraw/zinc/20/31/76/1358203176.db2.gz NBWJDGNUANUCIA-UHFFFAOYSA-N 0 0 334.347 2.287 10 10 EECERN COc1ccc(N2CCN(Cc3nnc(C4CCC4)n3C)CC2)cc1 ZINC000181047675 775273706 /nfs/dbraw/zinc/27/37/06/775273706.db2.gz BJCCEXMIRICNIK-UHFFFAOYSA-N 0 0 341.459 2.413 10 10 EECERN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000906316861 783837199 /nfs/dbraw/zinc/83/71/99/783837199.db2.gz HUMPHYIZTKWCPW-DYVFJYSZSA-N 0 0 336.407 2.094 10 10 EECERN CC1CCN(c2ccc(CNC(=O)CC3(O)CCOCC3)cc2)CC1 ZINC000906615388 784016378 /nfs/dbraw/zinc/01/63/78/784016378.db2.gz IBKIEMIKVOCICS-UHFFFAOYSA-N 0 0 346.471 2.471 10 10 EECERN COC(=O)[C@]12C[N@H+](Cc3cc(Cl)c(F)cc3[O-])C[C@H]1COCC2 ZINC000816596413 784142661 /nfs/dbraw/zinc/14/26/61/784142661.db2.gz AUTHETZNFYHRKC-MEDUHNTESA-N 0 0 343.782 2.196 10 10 EECERN CCC/C=C\[C@@H](O)C(=O)NCc1cccc(Br)c1O ZINC000907759498 784844047 /nfs/dbraw/zinc/84/40/47/784844047.db2.gz ZJLHLYNXDWHFMF-HXUAIIEXSA-N 0 0 328.206 2.488 10 10 EECERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCNCc2cccnc2)c1 ZINC000817940914 785086643 /nfs/dbraw/zinc/08/66/43/785086643.db2.gz PDIHQGNEKLUSTI-AWEZNQCLSA-N 0 0 343.427 2.404 10 10 EECERN CCCc1ncc(CN2C(=O)CN(Cc3ccccc3O)C2=O)o1 ZINC000819168702 785443056 /nfs/dbraw/zinc/44/30/56/785443056.db2.gz BQGDDNNYXYQMJB-UHFFFAOYSA-N 0 0 329.356 2.297 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCSC ZINC000819696322 785644092 /nfs/dbraw/zinc/64/40/92/785644092.db2.gz PPTXJVHJUQDITB-UHFFFAOYSA-N 0 0 325.430 2.427 10 10 EECERN CC[C@@H](O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000822612987 787287073 /nfs/dbraw/zinc/28/70/73/787287073.db2.gz HRGYQOKZGRUBSW-VNHYZAJKSA-N 0 0 338.423 2.217 10 10 EECERN CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000822687725 787340604 /nfs/dbraw/zinc/34/06/04/787340604.db2.gz FSXZPBPFLMURJR-LIRRHRJNSA-N 0 0 348.418 2.094 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C(=O)C(C)(C)CC ZINC000911303859 787366731 /nfs/dbraw/zinc/36/67/31/787366731.db2.gz PXASOVRHHKSISM-UHFFFAOYSA-N 0 0 335.400 2.289 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)c3cn[nH]c3)C2)cc1 ZINC000823415319 787718611 /nfs/dbraw/zinc/71/86/11/787718611.db2.gz JIIBHEDINFFPFA-ZIAGYGMSSA-N 0 0 343.431 2.305 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)NCC[C@@H]3CCOC3)C2)cc1 ZINC000823462632 787762088 /nfs/dbraw/zinc/76/20/88/787762088.db2.gz WIANFNHGLXFRNL-CVEARBPZSA-N 0 0 347.459 2.247 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1C[C@@H]2C[C@H]1CS2 ZINC000823523195 787784614 /nfs/dbraw/zinc/78/46/14/787784614.db2.gz ADJLALSTMKPZSQ-RDJZCZTQSA-N 0 0 347.484 2.047 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCOC[C@H]3C)C2)cc1 ZINC000823509452 787795994 /nfs/dbraw/zinc/79/59/94/787795994.db2.gz NUVNWOUSNUFLHV-IIDMSEBBSA-N 0 0 347.459 2.246 10 10 EECERN COc1nccnc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823730128 787914424 /nfs/dbraw/zinc/91/44/24/787914424.db2.gz QYBNAAGGUFGRDK-AWEZNQCLSA-N 0 0 328.416 2.173 10 10 EECERN Cn1ccnc1COCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000824261567 788111920 /nfs/dbraw/zinc/11/19/20/788111920.db2.gz GQFSFEOSTBLIFW-UHFFFAOYSA-N 0 0 342.443 2.243 10 10 EECERN CCn1ccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000824962459 788373291 /nfs/dbraw/zinc/37/32/91/788373291.db2.gz CXKZFDOQBGVINB-CYBMUJFWSA-N 0 0 329.404 2.312 10 10 EECERN COc1ccc(CNC(=O)N[C@@H]2CNc3ccccc3C2)c(O)c1 ZINC000846190990 790084627 /nfs/dbraw/zinc/08/46/27/790084627.db2.gz SMAUYYRYHJTWIR-AWEZNQCLSA-N 0 0 327.384 2.237 10 10 EECERN Cc1ccc(C(=O)NC[C@]2(CO)CCc3ccccc32)c(O)c1O ZINC000846344627 790140091 /nfs/dbraw/zinc/14/00/91/790140091.db2.gz SMRFLWROIDFZDK-IBGZPJMESA-N 0 0 327.380 2.013 10 10 EECERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC001148234289 792269858 /nfs/dbraw/zinc/26/98/58/792269858.db2.gz ZBJQYCFZXWCOBH-IEBDPFPHSA-N 0 0 346.408 2.052 10 10 EECERN C[C@@H](NC(=O)N1C2CCC1(C(N)=O)CC2)c1ccc(N(C)C)cc1 ZINC000922055710 798772022 /nfs/dbraw/zinc/77/20/22/798772022.db2.gz SOYXJMDYFAMHPZ-QCGKTTIDSA-N 0 0 330.432 2.006 10 10 EECERN C[C@H](NC(=O)N1C2CCC1(C(N)=O)CC2)c1ccc(N(C)C)cc1 ZINC000922055713 798772347 /nfs/dbraw/zinc/77/23/47/798772347.db2.gz SOYXJMDYFAMHPZ-RTYYOJRZSA-N 0 0 330.432 2.006 10 10 EECERN CC(C)(C)OC(=O)C1(C(=O)NCc2c(O)cccc2O)CC=CC1 ZINC001178917084 799700064 /nfs/dbraw/zinc/70/00/64/799700064.db2.gz IZCNKCVAHFWUKD-UHFFFAOYSA-N 0 0 333.384 2.392 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000103503329 809832068 /nfs/dbraw/zinc/83/20/68/809832068.db2.gz FJHQKAYOQDPQNE-SNVBAGLBSA-N 0 0 339.351 2.128 10 10 EECERN COc1ccc(CNC(=O)c2cnn(CCC(F)(F)F)c2)c(O)c1 ZINC000794388232 810811922 /nfs/dbraw/zinc/81/19/22/810811922.db2.gz SBEOEZJSLWPWFG-UHFFFAOYSA-N 0 0 343.305 2.480 10 10 EECERN C[C@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806279941 811813506 /nfs/dbraw/zinc/81/35/06/811813506.db2.gz FMPKMEKQQKWYDP-LBPRGKRZSA-N 0 0 341.502 2.390 10 10 EECERN CC(=O)C(=O)COC(=O)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C ZINC000808522806 812691400 /nfs/dbraw/zinc/69/14/00/812691400.db2.gz JMBOXPCJPXZLCQ-UHFFFAOYSA-N 0 0 329.393 2.017 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1ncsc1Br ZINC001445938006 1091872667 /nfs/dbraw/zinc/87/26/67/1091872667.db2.gz MDFCCLYCEPZYDE-UHFFFAOYSA-N 0 0 343.202 2.289 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC001451417151 1097634594 /nfs/dbraw/zinc/63/45/94/1097634594.db2.gz LRHNIHQUGPXWNI-PMGBHYCQSA-N 0 0 344.411 2.115 10 10 EECERN O=C(c1ccc(CO)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001546034319 1098005913 /nfs/dbraw/zinc/00/59/13/1098005913.db2.gz TUYMYHQQMPQOMK-QGZVFWFLSA-N 0 0 342.395 2.101 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cn(-c2ccccc2Cl)nn1 ZINC001469160086 1110486039 /nfs/dbraw/zinc/48/60/39/1110486039.db2.gz OSCSEFJHYKDLBJ-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN CCc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1ccccn1 ZINC001469158568 1110486192 /nfs/dbraw/zinc/48/61/92/1110486192.db2.gz BOEUIUNARCXPOV-UHFFFAOYSA-N 0 0 338.367 2.171 10 10 EECERN O=C(CCc1nnc(-c2ccccc2)o1)NCc1cc(O)ccc1O ZINC001471660688 1110527369 /nfs/dbraw/zinc/52/73/69/1110527369.db2.gz ILMVWXIVWZFZEW-UHFFFAOYSA-N 0 0 339.351 2.397 10 10 EECERN Oc1cccc(F)c1CNc1ccc2nnc(Br)n2n1 ZINC001472883044 1110565104 /nfs/dbraw/zinc/56/51/04/1110565104.db2.gz CQFAHQIZTUAMOB-UHFFFAOYSA-N 0 0 338.140 2.344 10 10 EECERN COC(=O)COc1ccc(N(C)C(=O)/C=C(\C)c2cnccn2)cc1 ZINC001522218129 1119342647 /nfs/dbraw/zinc/34/26/47/1119342647.db2.gz LZNJJEAGNGLWBP-JLHYYAGUSA-N 0 0 341.367 2.095 10 10 EECERN CC(C)=CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001524856464 1120234106 /nfs/dbraw/zinc/23/41/06/1120234106.db2.gz BSJIVQNFIIKDGN-HDJSIYSDSA-N 0 0 343.387 2.192 10 10 EECERN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)NCc1cccc(O)c1O ZINC001528771734 1121163072 /nfs/dbraw/zinc/16/30/72/1121163072.db2.gz WDVOJHXLGQNBNY-UHFFFAOYSA-N 0 0 331.397 2.292 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2ccnc(OC)n2)cc1F ZINC001543251062 1124125802 /nfs/dbraw/zinc/12/58/02/1124125802.db2.gz FXHLKXSYYAMUKO-UHFFFAOYSA-N 0 0 332.379 2.401 10 10 EECERN COc1ccc2c(c1)OCCN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001568088722 1124292670 /nfs/dbraw/zinc/29/26/70/1124292670.db2.gz ZSYYVXKXPSSNPP-UHFFFAOYSA-N 0 0 329.352 2.070 10 10 EECERN COC1CCN(c2ccc(CN3CCN(C(C)=O)C[C@@H]3C)cc2)CC1 ZINC000296682827 465230353 /nfs/dbraw/zinc/23/03/53/465230353.db2.gz BQYYVWNKUHAYCF-INIZCTEOSA-N 0 0 345.487 2.354 10 10 EECERN O=C(c1c(F)ccc(O)c1O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000296934965 465240067 /nfs/dbraw/zinc/24/00/67/465240067.db2.gz XFNYDUGGAXIHLZ-MADCSZMMSA-N 0 0 337.269 2.012 10 10 EECERN COCc1cc(CN2CCN(c3ccc(OC)c(F)c3)CC2)no1 ZINC000297285826 465251408 /nfs/dbraw/zinc/25/14/08/465251408.db2.gz ALGHEURSCYILNV-UHFFFAOYSA-N 0 0 335.379 2.291 10 10 EECERN CCN(C)c1ccc(CNC(=O)CNC(=O)c2ccoc2C)cc1F ZINC000069737280 463311303 /nfs/dbraw/zinc/31/13/03/463311303.db2.gz JJPYRJFFGZTMGY-UHFFFAOYSA-N 0 0 347.390 2.229 10 10 EECERN OCCn1ncc2c1ncnc2NCc1ccc(N2CCCC2)cc1 ZINC000097200249 463346144 /nfs/dbraw/zinc/34/61/44/463346144.db2.gz JYWNMSOZKJZXNO-UHFFFAOYSA-N 0 0 338.415 2.031 10 10 EECERN Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000282971326 463719153 /nfs/dbraw/zinc/71/91/53/463719153.db2.gz IOLXABAVHMUAIR-QGZVFWFLSA-N 0 0 340.423 2.470 10 10 EECERN C[C@H](CCC(=O)NCc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C ZINC000277746962 463930944 /nfs/dbraw/zinc/93/09/44/463930944.db2.gz NBMRVYCATUNNNB-LLVKDONJSA-N 0 0 338.404 2.407 10 10 EECERN CCNC(=O)C[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000283737834 463990715 /nfs/dbraw/zinc/99/07/15/463990715.db2.gz ABPIXMGYTGKKJJ-QGZVFWFLSA-N 0 0 346.475 2.343 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1c1nccs1 ZINC000186408006 463993633 /nfs/dbraw/zinc/99/36/33/463993633.db2.gz AFFMPURJMTZGKS-DGCLKSJQSA-N 0 0 347.440 2.271 10 10 EECERN Cc1cnn(CCNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000172275220 464035280 /nfs/dbraw/zinc/03/52/80/464035280.db2.gz RLISBEFNCJQBDB-UHFFFAOYSA-N 0 0 327.432 2.291 10 10 EECERN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cn[nH]c1 ZINC000270195288 464216222 /nfs/dbraw/zinc/21/62/22/464216222.db2.gz BMMWLZXMKQGDTP-CQSZACIVSA-N 0 0 343.431 2.149 10 10 EECERN Cc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)c(C)n1-c1ccccc1 ZINC000188923312 464396665 /nfs/dbraw/zinc/39/66/65/464396665.db2.gz AFYWMPBXVIOHOF-HNNXBMFYSA-N 0 0 325.412 2.445 10 10 EECERN COC(=O)/C=C/c1ccc(N2CCC([C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000264696364 464426096 /nfs/dbraw/zinc/42/60/96/464426096.db2.gz DCZWRVFEFTUCCI-FUEXJSSKSA-N 0 0 334.372 2.378 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCS[C@@H]3COCC[C@H]32)c1O ZINC000246937278 464635819 /nfs/dbraw/zinc/63/58/19/464635819.db2.gz NLZJBDMJDKGCKY-HUUCEWRRSA-N 0 0 325.405 2.440 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCOC4(CCCCC4)C3)cc2N1 ZINC000301696656 466013397 /nfs/dbraw/zinc/01/33/97/466013397.db2.gz PZHPPNHCYSMRDH-UHFFFAOYSA-N 0 0 347.371 2.465 10 10 EECERN Cc1cc(C(=O)N2CCNC[C@H]2C(F)F)c(C)n1-c1ccccn1 ZINC000367290787 466244036 /nfs/dbraw/zinc/24/40/36/466244036.db2.gz MLWVDLUPFLTKNN-AWEZNQCLSA-N 0 0 334.370 2.168 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC4(CCOCC4)CC3)cc2N1 ZINC000376473484 466914934 /nfs/dbraw/zinc/91/49/34/466914934.db2.gz HQURWGWYGJPLMG-UHFFFAOYSA-N 0 0 347.371 2.323 10 10 EECERN CC[C@H]1CCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000291708786 529241573 /nfs/dbraw/zinc/24/15/73/529241573.db2.gz VIBTYDGVUHQRLQ-AWEZNQCLSA-N 0 0 335.423 2.481 10 10 EECERN COCCS(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000725819230 576044009 /nfs/dbraw/zinc/04/40/09/576044009.db2.gz IAJZCFINEJKXIJ-UHFFFAOYSA-N 0 0 336.457 2.202 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)C(=O)c2cnn(C(C)(C)C)c2)c1 ZINC000728982186 576569359 /nfs/dbraw/zinc/56/93/59/576569359.db2.gz JWVZMZPCUXRUOO-NSHDSACASA-N 0 0 345.399 2.412 10 10 EECERN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)c1 ZINC000734060763 577274937 /nfs/dbraw/zinc/27/49/37/577274937.db2.gz IPYRKXXGDSBZGN-UHFFFAOYSA-N 0 0 343.339 2.053 10 10 EECERN COc1c([O-])c(C[NH2+]C[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000774970075 577425073 /nfs/dbraw/zinc/42/50/73/577425073.db2.gz UXRPCNHMNKQTRN-GFCCVEGCSA-N 0 0 346.339 2.239 10 10 EECERN Cc1cc(Br)c([O-])c(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000775030934 577427073 /nfs/dbraw/zinc/42/70/73/577427073.db2.gz XGESELGKFMMLFZ-CQSZACIVSA-N 0 0 330.222 2.094 10 10 EECERN COc1c([O-])c(C[NH2+]CCCc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000775048345 577427816 /nfs/dbraw/zinc/42/78/16/577427816.db2.gz RKRDPIUUNVJALG-UHFFFAOYSA-N 0 0 348.403 2.382 10 10 EECERN O=C(CN1CC[C@H]2C[C@H]21)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000761092249 577676417 /nfs/dbraw/zinc/67/64/17/577676417.db2.gz KJVKLWRJZOLABA-YVEFUNNKSA-N 0 0 346.386 2.495 10 10 EECERN COc1ccc(C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804733015 675608527 /nfs/dbraw/zinc/60/85/27/675608527.db2.gz AROPRMXUFGDFQN-UHFFFAOYSA-N 0 0 337.173 2.488 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)CC(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000255566199 678812004 /nfs/dbraw/zinc/81/20/04/678812004.db2.gz GNPJHRMWNDVIKO-CLFYSBASSA-N 0 0 349.387 2.132 10 10 EECERN Cc1ccccc1[C@@H](C)NC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000255832578 679946635 /nfs/dbraw/zinc/94/66/35/679946635.db2.gz COEBEWRQUYFZHD-GULXKOIASA-N 0 0 345.468 2.429 10 10 EECERN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841138057 681231188 /nfs/dbraw/zinc/23/11/88/681231188.db2.gz QWVDUNFUALNKEY-VHSXEESVSA-N 0 0 329.322 2.397 10 10 EECERN CC(=O)NC[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895941386 684783438 /nfs/dbraw/zinc/78/34/38/684783438.db2.gz BHWRNNLNRZHSQO-LLVKDONJSA-N 0 0 348.424 2.301 10 10 EECERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895949067 684785461 /nfs/dbraw/zinc/78/54/61/684785461.db2.gz HDRUXHIDYVUJEI-IUCAKERBSA-N 0 0 336.413 2.346 10 10 EECERN CC(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H](C)C1 ZINC000897004200 686045707 /nfs/dbraw/zinc/04/57/07/686045707.db2.gz DNBODVYCWHXRQD-SECBINFHSA-N 0 0 334.397 2.005 10 10 EECERN COC(=O)C[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897093976 686102931 /nfs/dbraw/zinc/10/29/31/686102931.db2.gz UPECGWKIBAQPLU-SNVBAGLBSA-N 0 0 335.381 2.480 10 10 EECERN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCCCC1=O ZINC000897521634 690837884 /nfs/dbraw/zinc/83/78/84/690837884.db2.gz KWRIFFMRJPRQIL-SNVBAGLBSA-N 0 0 348.424 2.443 10 10 EECERN O=C(NCc1cc2n(n1)CCCO2)c1cc2cc(O)c(O)cc2s1 ZINC000897791184 691784079 /nfs/dbraw/zinc/78/40/79/691784079.db2.gz FQWUSSNCYZVCGG-UHFFFAOYSA-N 0 0 345.380 2.222 10 10 EECERN O=C(Nc1c2nonc2ccc1Cl)c1cc2n(n1)CCCC2=O ZINC001271357424 1186158252 /nfs/dbraw/zinc/15/82/52/1186158252.db2.gz VEIJENKMXDHRRD-UHFFFAOYSA-N 0 0 331.719 2.302 10 10 EECERN COC(=O)[C@H]1CCC[C@@H](n2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864644430 1197861740 /nfs/dbraw/zinc/86/17/40/1197861740.db2.gz GBTGHWRAHVQWLV-SWLSCSKDSA-N 0 0 330.388 2.344 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C\c1cnc(Cl)c(F)c1 ZINC000865219370 1198128746 /nfs/dbraw/zinc/12/87/46/1198128746.db2.gz ZDSGUXAXEDXRHG-POHAHGRESA-N 0 0 327.768 2.177 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000124554110 1198621432 /nfs/dbraw/zinc/62/14/32/1198621432.db2.gz XHDCFKFEWDCXFJ-PWSUYJOCSA-N 0 0 332.404 2.424 10 10 EECERN O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H](O)C1CCOCC1 ZINC000813684718 1199143620 /nfs/dbraw/zinc/14/36/20/1199143620.db2.gz NHTNKGPJQOLUNL-CYBMUJFWSA-N 0 0 334.199 2.103 10 10 EECERN Cn1cc(CC(=O)NCc2ccc3c(c2)CCCN3C)c(Cl)n1 ZINC000814408717 1199474447 /nfs/dbraw/zinc/47/44/47/1199474447.db2.gz ZOEZXIDHFJCBJW-UHFFFAOYSA-N 0 0 332.835 2.315 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1CCC ZINC000125883700 1199596965 /nfs/dbraw/zinc/59/69/65/1199596965.db2.gz GGPCENJNOPCISN-UHFFFAOYSA-N 0 0 344.415 2.376 10 10 EECERN O=C(NCc1ccc2oc(=O)[nH]c2c1)NCc1c(O)cccc1F ZINC001687513940 1200109204 /nfs/dbraw/zinc/10/92/04/1200109204.db2.gz GAEGZPZIIGCNLZ-UHFFFAOYSA-N 0 0 331.303 2.378 10 10 EECERN Cc1ccccc1[C@H](CC(=O)N1Cc2cccc(O)c2C1)NC(N)=O ZINC000871198974 1201095751 /nfs/dbraw/zinc/09/57/51/1201095751.db2.gz QNQSZFZDXSEZFU-INIZCTEOSA-N 0 0 339.395 2.343 10 10 EECERN COC(=O)/C=C/c1ccc(N2C[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000866227279 1201470900 /nfs/dbraw/zinc/47/09/00/1201470900.db2.gz YERDSQZTQBILAR-IYNGYCSASA-N 0 0 334.372 2.378 10 10 EECERN CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)N1CCOCC1 ZINC000868022973 1201728911 /nfs/dbraw/zinc/72/89/11/1201728911.db2.gz RSAKFFYOVSAWRJ-HOCLYGCPSA-N 0 0 335.448 2.109 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@H]3CC34CC4)CC2)c(OC)c1 ZINC000868724722 1201867225 /nfs/dbraw/zinc/86/72/25/1201867225.db2.gz QMWOSCHBYWLXIW-INIZCTEOSA-N 0 0 331.416 2.088 10 10 EECERN O=C(NCCOC1CCOCC1)NCc1c(O)ccc2c1CCCC2 ZINC000927507733 1206272059 /nfs/dbraw/zinc/27/20/59/1206272059.db2.gz RDXLXZPKBBEKDM-UHFFFAOYSA-N 0 0 348.443 2.266 10 10 EECERN CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(OC)C1=O ZINC000929754522 1206498343 /nfs/dbraw/zinc/49/83/43/1206498343.db2.gz CEBQGKCUDROUCX-GFCCVEGCSA-N 0 0 343.221 2.139 10 10 EECERN CCOCCOc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778916622 1208400607 /nfs/dbraw/zinc/40/06/07/1208400607.db2.gz NBTMHJWGEGHKKX-UHFFFAOYSA-N 0 0 331.368 2.443 10 10 EECERN O=C(NCc1ccc(N2CCSCC2)cc1)NCC1(CCO)CC1 ZINC000190301552 1209806570 /nfs/dbraw/zinc/80/65/70/1209806570.db2.gz CLDRXTXKHJYKFP-UHFFFAOYSA-N 0 0 349.500 2.202 10 10 EECERN COC(=O)c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000779491172 1210395707 /nfs/dbraw/zinc/39/57/07/1210395707.db2.gz KAUYQERWQKNWAF-WEVVVXLNSA-N 0 0 327.336 2.214 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000779538368 1210458166 /nfs/dbraw/zinc/45/81/66/1210458166.db2.gz YTSXDTICIBTRCK-HZRUHFOJSA-N 0 0 338.363 2.353 10 10 EECERN C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC(=O)N1C ZINC000800538020 1234283512 /nfs/dbraw/zinc/28/35/12/1234283512.db2.gz ITKBANHDIAYGGS-CQSZACIVSA-N 0 0 346.431 2.248 10 10 EECERN CN1CCc2cc(NC(=O)NCCc3ccc(N)cc3)ccc2C1=O ZINC000850757721 1277329507 /nfs/dbraw/zinc/32/95/07/1277329507.db2.gz PMCQJWLFCBIDJU-UHFFFAOYSA-N 0 0 338.411 2.261 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(N)cc3)C2)cc1 ZINC000851639168 1277696909 /nfs/dbraw/zinc/69/69/09/1277696909.db2.gz CGOSOSHPDYMYHS-INIZCTEOSA-N 0 0 325.412 2.215 10 10 EECERN CCc1nnc([C@@H](C)N2CCN(c3ccc(OC)c(F)c3)CC2)[nH]1 ZINC000851808064 1291851862 /nfs/dbraw/zinc/85/18/62/1291851862.db2.gz KLNCOTCOXVSMME-GFCCVEGCSA-N 0 0 333.411 2.398 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC3CCSCC3)C2)cc1 ZINC000852125978 1292001870 /nfs/dbraw/zinc/00/18/70/1292001870.db2.gz QDBISGQHEKVTIF-CQSZACIVSA-N 0 0 335.473 2.469 10 10 EECERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000852261002 1292070308 /nfs/dbraw/zinc/07/03/08/1292070308.db2.gz ILZFQGQQKGYFRI-XPKDYRNWSA-N 0 0 333.432 2.407 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NO[C@H]3CCCCO3)C2)cc1 ZINC000852291948 1292077715 /nfs/dbraw/zinc/07/77/15/1292077715.db2.gz JQRXODZHOPDGRI-BBRMVZONSA-N 0 0 335.404 2.031 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H]4OCC[C@@H]4C3)C2)cc1 ZINC000852449015 1292116618 /nfs/dbraw/zinc/11/66/18/1292116618.db2.gz PNVMDRXFWFWIIE-RKVPGOIHSA-N 0 0 345.443 2.094 10 10 EECERN COC[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000852469124 1292121362 /nfs/dbraw/zinc/12/13/62/1292121362.db2.gz YWZSYEVFHXVYQL-GOSISDBHSA-N 0 0 349.475 2.336 10 10 EECERN Cn1ncc2c1CC(C)(C)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000852983926 1292248906 /nfs/dbraw/zinc/24/89/06/1292248906.db2.gz PEPPXEWGEQXSNG-FNORWQNLSA-N 0 0 341.411 2.456 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000853934265 1292537446 /nfs/dbraw/zinc/53/74/46/1292537446.db2.gz RNECSDVHUBLIDE-JRFBKZHLSA-N 0 0 332.356 2.254 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3C[C@H](C)O)C2)cc1 ZINC000854300490 1292711349 /nfs/dbraw/zinc/71/13/49/1292711349.db2.gz UPDLOZKKFRZBCR-YQQAZPJKSA-N 0 0 347.459 2.219 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000854987249 1293021820 /nfs/dbraw/zinc/02/18/20/1293021820.db2.gz AHLXANOFHBAFBN-RHSMWYFYSA-N 0 0 349.427 2.489 10 10 EECERN Cc1cc(C(=O)N2CCc3nccnc3C2)c(C)n1-c1ccccn1 ZINC000856242451 1293457137 /nfs/dbraw/zinc/45/71/37/1293457137.db2.gz DAOOLFMBCGPRJE-UHFFFAOYSA-N 0 0 333.395 2.478 10 10 EECERN Cc1cc(CC(=O)N2CCCn3nnnc32)c(C)n1-c1ccccc1 ZINC000857624411 1293871614 /nfs/dbraw/zinc/87/16/14/1293871614.db2.gz NRDKPIACXCLFTH-UHFFFAOYSA-N 0 0 336.399 2.060 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)C2)cc1 ZINC000858598319 1294163740 /nfs/dbraw/zinc/16/37/40/1294163740.db2.gz CTKWIFGGNFWSFR-PQKJENKHSA-N 0 0 347.459 2.385 10 10 EECERN COC(=O)[C@H](CF)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000861728521 1295520598 /nfs/dbraw/zinc/52/05/98/1295520598.db2.gz JSCPCDQWAJFIIK-HNNXBMFYSA-N 0 0 346.358 2.148 10 10 EECERN Cc1ccc(O)c(CNC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000862760742 1295954434 /nfs/dbraw/zinc/95/44/34/1295954434.db2.gz VLXDTJSOEHIJLK-UHFFFAOYSA-N 0 0 342.395 2.462 10 10 EECERN Cc1cc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000862821522 1295975987 /nfs/dbraw/zinc/97/59/87/1295975987.db2.gz QYOFVTPHVBTFEH-MQMHXKEQSA-N 0 0 329.375 2.227 10 10 EECERN Cc1cc(C(=O)N[C@H]2COCCC2=O)c(C)n1-c1ccc(F)cc1 ZINC000862932852 1296026688 /nfs/dbraw/zinc/02/66/88/1296026688.db2.gz UPSMHNFZNOMMTE-INIZCTEOSA-N 0 0 330.359 2.321 10 10 EECERN C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1cccc(O)c1O ZINC001123977412 1310788771 /nfs/dbraw/zinc/78/87/71/1310788771.db2.gz FIMQSCLBDAUXJQ-LBPRGKRZSA-N 0 0 334.416 2.189 10 10 EECERN Cc1cc(O)c(CN2CCN(Cc3nccn3C)CC2)c(Cl)c1 ZINC000840913423 1315434320 /nfs/dbraw/zinc/43/43/20/1315434320.db2.gz FROYFAVSXFRLMZ-UHFFFAOYSA-N 0 0 334.851 2.405 10 10 EECERN COCCCN(Cc1ccncc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001293134476 1328615305 /nfs/dbraw/zinc/61/53/05/1328615305.db2.gz UKDCLPHXAOLLFD-UHFFFAOYSA-N 0 0 330.384 2.101 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1-n1ccnn1 ZINC001154026807 1316939524 /nfs/dbraw/zinc/93/95/24/1316939524.db2.gz OJVYYFNYQPCXSF-SNVBAGLBSA-N 0 0 344.396 2.101 10 10 EECERN COC(=O)c1nc(CNC(=O)NCc2ccccc2O)ccc1Cl ZINC001252850592 1317704799 /nfs/dbraw/zinc/70/47/99/1317704799.db2.gz HKYYVQBNLFOUNH-UHFFFAOYSA-N 0 0 349.774 2.227 10 10 EECERN O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1c(O)ccc2ccccc21 ZINC001157051367 1318370087 /nfs/dbraw/zinc/37/00/87/1318370087.db2.gz UIHFQPPVTRTKBU-GFCCVEGCSA-N 0 0 331.393 2.110 10 10 EECERN CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)C2CC2)cc1 ZINC001261198227 1322043238 /nfs/dbraw/zinc/04/32/38/1322043238.db2.gz HJVYDVAGENCJGS-PIIMJCKOSA-N 0 0 341.455 2.158 10 10 EECERN CC(C)=CC(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001285622204 1327082983 /nfs/dbraw/zinc/08/29/83/1327082983.db2.gz VAUTZASJZFZOGF-LLVKDONJSA-N 0 0 331.376 2.050 10 10 EECERN Cc1cc(CNC(=O)c2nc3ncccn3n2)c(C)n1-c1ccccc1 ZINC001287661231 1327533685 /nfs/dbraw/zinc/53/36/85/1327533685.db2.gz QCEVDOASNFKBDY-UHFFFAOYSA-N 0 0 346.394 2.462 10 10 EECERN CN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(O)c(O)c1 ZINC001289989188 1328096825 /nfs/dbraw/zinc/09/68/25/1328096825.db2.gz CJHAYRNEQAEHPX-UHFFFAOYSA-N 0 0 329.352 2.070 10 10 EECERN Cc1nc(C2(NC(=O)Cc3ccc(O)c(O)c3)CCCCC2)no1 ZINC001291918354 1328346501 /nfs/dbraw/zinc/34/65/01/1328346501.db2.gz DBMBDKMTKRBICS-UHFFFAOYSA-N 0 0 331.372 2.308 10 10 EECERN COc1cccc(CNC(=O)c2coc(-c3cccnc3)n2)c1O ZINC001294925342 1329764642 /nfs/dbraw/zinc/76/46/42/1329764642.db2.gz NWVYFUKMVAEJHR-UHFFFAOYSA-N 0 0 325.324 2.381 10 10 EECERN COC[C@H](Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O)OC ZINC001301001586 1331286416 /nfs/dbraw/zinc/28/64/16/1331286416.db2.gz WJALJJWCYMIUDV-HNNXBMFYSA-N 0 0 348.447 2.405 10 10 EECERN Cc1ccc(O)c(CNC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)c1 ZINC001301047498 1331287768 /nfs/dbraw/zinc/28/77/68/1331287768.db2.gz ZAPDKTCLXRMPKB-CYBMUJFWSA-N 0 0 337.383 2.232 10 10 EECERN CCc1nnc(N(C)Cc2ccccc2O)n1Cc1cnn(C)c1C ZINC001306080778 1331452549 /nfs/dbraw/zinc/45/25/49/1331452549.db2.gz RBXMWEOMWWTFFC-UHFFFAOYSA-N 0 0 340.431 2.273 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCCSC[C@H]1C ZINC001332867051 1335921548 /nfs/dbraw/zinc/92/15/48/1335921548.db2.gz PVQJTIBBEGXLBZ-CQSZACIVSA-N 0 0 349.500 2.031 10 10 EECERN COC[C@@]1(C(=O)OC)CCCN1Cc1ccc(N2CCCC2)cc1 ZINC001333865518 1336155395 /nfs/dbraw/zinc/15/53/95/1336155395.db2.gz UJZPXBPCTLYJKJ-LJQANCHMSA-N 0 0 332.444 2.441 10 10 EECERN COc1ccc(N2CC[C@H](CN3C(=O)N[C@@](C)(CCF)C3=O)C2)cc1 ZINC000849358406 1339154317 /nfs/dbraw/zinc/15/43/17/1339154317.db2.gz YWMHXHBMZPPTKU-UGSOOPFHSA-N 0 0 349.406 2.192 10 10 EECERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(O)ccc1O ZINC001612844293 1352311721 /nfs/dbraw/zinc/31/17/21/1352311721.db2.gz HUZPLOLOQFTZMP-UHFFFAOYSA-N 0 0 338.341 2.022 10 10 EECERN CCO[C@@H]1C[C@](CO)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1(C)C ZINC001616470551 1352329021 /nfs/dbraw/zinc/32/90/21/1352329021.db2.gz FRRDNFYKOUOLTI-CXAGYDPISA-N 0 0 348.403 2.145 10 10 EECERN NC(=O)c1ccccc1CCC(=O)NCc1cc(Cl)ccc1O ZINC001557386605 1342447685 /nfs/dbraw/zinc/44/76/85/1342447685.db2.gz WGRHXDFDFVAOLA-UHFFFAOYSA-N 0 0 332.787 2.394 10 10 EECERN COc1ncc(Br)c(NCCc2ccc(O)c(O)c2)n1 ZINC001559125601 1342498094 /nfs/dbraw/zinc/49/80/94/1342498094.db2.gz RYMMXKYJSJXAHE-UHFFFAOYSA-N 0 0 340.177 2.314 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCN1CCCC1=O ZINC001565028269 1342551851 /nfs/dbraw/zinc/55/18/51/1342551851.db2.gz AWIQMEUVESVNQV-UHFFFAOYSA-N 0 0 344.459 2.051 10 10 EECERN CCCC(=O)N[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001578159501 1344241608 /nfs/dbraw/zinc/24/16/08/1344241608.db2.gz JKZKEJVFMZEDTA-AWEZNQCLSA-N 0 0 345.403 2.274 10 10 EECERN CC[C@H](C(=O)NCc1c(O)cccc1O)N(C)C(=O)OC(C)(C)C ZINC001597574452 1349928292 /nfs/dbraw/zinc/92/82/92/1349928292.db2.gz LPVYIROHLLTDBC-GFCCVEGCSA-N 0 0 338.404 2.360 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1ccc(Cn2ccnn2)o1 ZINC001606870168 1351368668 /nfs/dbraw/zinc/36/86/68/1351368668.db2.gz WSJXWWXIKMTGQO-UHFFFAOYSA-N 0 0 332.747 2.208 10 10 EECERN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2nc[nH]n2)ccc1C ZINC001631226233 1352580036 /nfs/dbraw/zinc/58/00/36/1352580036.db2.gz BQIPFWVGOUSNBG-UHFFFAOYSA-N 0 0 337.383 2.263 10 10 EECERN O=C(NCCCSc1nccs1)c1cc2n(n1)CCC[C@@H]2O ZINC001632807395 1352602610 /nfs/dbraw/zinc/60/26/10/1352602610.db2.gz WNDJEWTUBOCQRU-LBPRGKRZSA-N 0 0 338.458 2.079 10 10 EECERN CN(C(=O)c1ccoc1CC(N)=O)c1ccc(Br)cc1 ZINC001635496629 1352647404 /nfs/dbraw/zinc/64/74/04/1352647404.db2.gz QIBMBJLUTHKHMM-UHFFFAOYSA-N 0 0 337.173 2.347 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1cccc2c1NC(=O)CO2 ZINC001638573474 1352689791 /nfs/dbraw/zinc/68/97/91/1352689791.db2.gz ZDJFODIYEORZHG-UHFFFAOYSA-N 0 0 349.346 2.201 10 10 EECERN O=C(Cn1ncc2ccccc2c1=O)NCc1cc(Cl)ccc1O ZINC001639965426 1352703309 /nfs/dbraw/zinc/70/33/09/1352703309.db2.gz JAEAXBPXMOLMPN-UHFFFAOYSA-N 0 0 343.770 2.072 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC001641729347 1352724699 /nfs/dbraw/zinc/72/46/99/1352724699.db2.gz NMGQRBHGUPMKSI-UHFFFAOYSA-N 0 0 348.424 2.311 10 10 EECERN O=C(CCc1nc(-c2ccccc2)no1)NCc1c(O)cccc1O ZINC001645361153 1352777115 /nfs/dbraw/zinc/77/71/15/1352777115.db2.gz ZGACBRPEVDZQFO-UHFFFAOYSA-N 0 0 339.351 2.397 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCC(Cn3ccnn3)CC2)cc1OC ZINC001650883560 1354032293 /nfs/dbraw/zinc/03/22/93/1354032293.db2.gz PBNRYGZCMRHNSU-UHFFFAOYSA-N 0 0 347.375 2.120 10 10 EECERN COc1cccc(CCC(=O)NCc2cc(O)ccc2O)c1OC ZINC001651222313 1354044852 /nfs/dbraw/zinc/04/48/52/1354044852.db2.gz DVIDETWNDYSENQ-UHFFFAOYSA-N 0 0 331.368 2.364 10 10 EECERN Cc1cc(C(F)(F)F)nc(C(=O)NCc2c(O)cccc2O)n1 ZINC001652626240 1354097198 /nfs/dbraw/zinc/09/71/98/1354097198.db2.gz TZNNLBVCBRTOLK-UHFFFAOYSA-N 0 0 327.262 2.145 10 10 EECERN CCCCOC(=O)[C@@H](C)N(CC(=O)OCC)Cc1ccccc1O ZINC001653969764 1354137124 /nfs/dbraw/zinc/13/71/24/1354137124.db2.gz IWTOTNWHPKRHTP-CQSZACIVSA-N 0 0 337.416 2.489 10 10 EECERN C[C@@H](NC(=O)NCc1ccccc1O)c1nc(C(F)(F)F)no1 ZINC001684828982 1358283633 /nfs/dbraw/zinc/28/36/33/1358283633.db2.gz DRRRCTLGZGSGEM-SSDOTTSWSA-N 0 0 330.266 2.354 10 10 EECERN CCN(CCNC(=O)[C@@H]1C[C@@H]1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001688385231 1358939075 /nfs/dbraw/zinc/93/90/75/1358939075.db2.gz AIKPEBYPQCZEMF-SMDDNHRTSA-N 0 0 345.403 2.083 10 10 EECERN Cc1cc(CCNC(=O)NCCCSc2nccs2)nn1C ZINC000921447359 773379391 /nfs/dbraw/zinc/37/93/91/773379391.db2.gz GRVVOPIRNZWAQM-UHFFFAOYSA-N 0 0 339.490 2.209 10 10 EECERN C[C@H](NC(=O)Nc1nncs1)c1ccc(N2CCOCC2)cc1 ZINC000068462837 774553782 /nfs/dbraw/zinc/55/37/82/774553782.db2.gz WBHPRVQJLRNJMN-NSHDSACASA-N 0 0 333.417 2.257 10 10 EECERN CC(=O)C1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000846953632 790772001 /nfs/dbraw/zinc/77/20/01/790772001.db2.gz OLCYEXWSZXGNLX-UHFFFAOYSA-N 0 0 331.460 2.012 10 10 EECERN COCc1cc(O)ccc1NS(=O)(=O)C[C@@H](CC(C)C)OC ZINC000817353948 784693000 /nfs/dbraw/zinc/69/30/00/784693000.db2.gz YDCHFSHXDZPVKI-CQSZACIVSA-N 0 0 331.434 2.341 10 10 EECERN CO[C@@H](CCN1C(=O)CN(Cc2ccccc2O)C1=O)C(F)(F)F ZINC000819170979 785444862 /nfs/dbraw/zinc/44/48/62/785444862.db2.gz RADHRHSHJFWGAS-LBPRGKRZSA-N 0 0 346.305 2.124 10 10 EECERN Cn1ncc(C(=O)NCc2cc(Cl)ccc2O)c1-n1cccc1 ZINC001146231223 791141968 /nfs/dbraw/zinc/14/19/68/791141968.db2.gz COCZBZPTYIDJQR-UHFFFAOYSA-N 0 0 330.775 2.500 10 10 EECERN CO[C@]12CCC[C@@]1(C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)CCO2 ZINC000821807365 786896930 /nfs/dbraw/zinc/89/69/30/786896930.db2.gz QXKSWDLVMHTHNH-IGNZVWTISA-N 0 0 335.400 2.078 10 10 EECERN CCn1nnc(C)c1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000822999123 787510055 /nfs/dbraw/zinc/51/00/55/787510055.db2.gz BXMMOLGWLQMNHJ-UHFFFAOYSA-N 0 0 343.431 2.014 10 10 EECERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000844756433 789351729 /nfs/dbraw/zinc/35/17/29/789351729.db2.gz FBHFWQDLISWIMJ-UKRRQHHQSA-N 0 0 337.416 2.370 10 10 EECERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000255329016 789723785 /nfs/dbraw/zinc/72/37/85/789723785.db2.gz UFXSPXLYDWURHZ-LBPRGKRZSA-N 0 0 342.399 2.080 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(=O)Nc2cnccc21 ZINC001148122490 792199195 /nfs/dbraw/zinc/19/91/95/792199195.db2.gz ZTLLOXUYXYSJBJ-UHFFFAOYSA-N 0 0 341.348 2.306 10 10 EECERN CC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1O)c1cccs1 ZINC001178905125 799693056 /nfs/dbraw/zinc/69/30/56/799693056.db2.gz IKJZBFGYQXORTI-LBPRGKRZSA-N 0 0 334.397 2.043 10 10 EECERN O=C(c1ccoc1)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000575541139 801756751 /nfs/dbraw/zinc/75/67/51/801756751.db2.gz AZDWBZMZRSCIBC-UHFFFAOYSA-N 0 0 328.368 2.151 10 10 EECERN O=S(=O)(CCCCF)NCc1cc(Br)ccc1O ZINC000805100790 811136163 /nfs/dbraw/zinc/13/61/63/811136163.db2.gz JIRSLBMBOABTTA-UHFFFAOYSA-N 0 0 340.214 2.324 10 10 EECERN CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807075187 812086832 /nfs/dbraw/zinc/08/68/32/812086832.db2.gz QPHIPJJFYYBZFO-COXVUDFISA-N 0 0 347.459 2.004 10 10 EECERN CCCc1c(C(=O)OCC(=O)C(C)=O)cnn1Cc1ccccc1 ZINC000808504113 812675910 /nfs/dbraw/zinc/67/59/10/812675910.db2.gz SALWVTMYJJLNMB-UHFFFAOYSA-N 0 0 328.368 2.199 10 10 EECERN CCCc1noc2nc(C3CC3)cc(C(=O)OCC(=O)C(C)=O)c12 ZINC000808504969 812676809 /nfs/dbraw/zinc/67/68/09/812676809.db2.gz QTGLXMCWDCOWOU-UHFFFAOYSA-N 0 0 330.340 2.368 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)Nc2cncnc2N2CCCC2)cc1 ZINC001566307370 1125594377 /nfs/dbraw/zinc/59/43/77/1125594377.db2.gz OBQMBXRBGQGGMS-UHFFFAOYSA-N 0 0 339.359 2.492 10 10 EECERN O=C(NCc1ccccc1O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001566374194 1125598105 /nfs/dbraw/zinc/59/81/05/1125598105.db2.gz YCYXOKDQFVYFQQ-GFCCVEGCSA-N 0 0 346.333 2.340 10 10 EECERN COC(=O)[C@H]1CN(C(=O)/C=C/c2cccnc2)c2ccc(F)cc2O1 ZINC001437269307 1089417708 /nfs/dbraw/zinc/41/77/08/1089417708.db2.gz OPXFPOWXVJZALS-IEXSPKMKSA-N 0 0 342.326 2.201 10 10 EECERN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1-n1cnnn1 ZINC001452940682 1105800358 /nfs/dbraw/zinc/80/03/58/1105800358.db2.gz DHYXNGHDEKRUEZ-UHFFFAOYSA-N 0 0 343.774 2.260 10 10 EECERN O=C(Nc1cccc(C(=O)NCc2cc(O)ccc2O)c1)NC1CC1 ZINC001455357617 1108474514 /nfs/dbraw/zinc/47/45/14/1108474514.db2.gz UKSALNWHVYFWCC-UHFFFAOYSA-N 0 0 341.367 2.312 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001456030059 1109057318 /nfs/dbraw/zinc/05/73/18/1109057318.db2.gz PWPSGLZUJLPTDV-XIKOKIGWSA-N 0 0 326.327 2.058 10 10 EECERN CN(CCc1nc2ccccc2[nH]1)C(=O)c1c(F)ccc(O)c1O ZINC001457889205 1109810608 /nfs/dbraw/zinc/81/06/08/1109810608.db2.gz XOUMHNFSBGLAKL-UHFFFAOYSA-N 0 0 329.331 2.428 10 10 EECERN COC(=O)c1cc(OCc2ccc(C(N)=O)cc2)ccc1N(C)C ZINC001459237498 1110121416 /nfs/dbraw/zinc/12/14/16/1110121416.db2.gz LZVWMAYLQOYNGU-UHFFFAOYSA-N 0 0 328.368 2.217 10 10 EECERN COC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)cc1 ZINC001463784539 1110380534 /nfs/dbraw/zinc/38/05/34/1110380534.db2.gz NUXLXHSAKYDJFT-OAHLLOKOSA-N 0 0 343.379 2.369 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1cc(-c2ccccc2O)n[nH]1 ZINC001469158598 1110486234 /nfs/dbraw/zinc/48/62/34/1110486234.db2.gz CVCYUZPUDDEJSQ-UHFFFAOYSA-N 0 0 325.324 2.124 10 10 EECERN O=C(NCc1ccc2cccnc2c1O)c1ccn(CC(F)F)n1 ZINC001469250163 1110488097 /nfs/dbraw/zinc/48/80/97/1110488097.db2.gz RQMRQTKDPOQSKE-UHFFFAOYSA-N 0 0 332.310 2.332 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1cccnn1 ZINC001469966921 1110499177 /nfs/dbraw/zinc/49/91/77/1110499177.db2.gz FNTKAGCHUTYZKL-UHFFFAOYSA-N 0 0 325.416 2.418 10 10 EECERN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1CC(C)C1 ZINC001502098158 1113586600 /nfs/dbraw/zinc/58/66/00/1113586600.db2.gz GUGIRCBUBHKTED-QWKFWESOSA-N 0 0 345.403 2.130 10 10 EECERN C/C=C(/C)C(=O)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001506115603 1114415445 /nfs/dbraw/zinc/41/54/45/1114415445.db2.gz ZJAHDFLRQUMMKT-MKHLCDMOSA-N 0 0 343.387 2.194 10 10 EECERN C/C=C(\C)C(=O)N[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001510625568 1117819690 /nfs/dbraw/zinc/81/96/90/1117819690.db2.gz SMKQESIUHMMRKA-YTNHSKMGSA-N 0 0 345.403 2.392 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1([C@@H]2CCCCO2)CCCO1 ZINC001521308555 1119237134 /nfs/dbraw/zinc/23/71/34/1119237134.db2.gz NVUKGNQIADNLNQ-FMEYXAORSA-N 0 0 349.427 2.263 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccccc2Cn2ccnn2)cc1 ZINC001524861667 1120234986 /nfs/dbraw/zinc/23/49/86/1120234986.db2.gz MXUUTHUWSUWLTP-UHFFFAOYSA-N 0 0 335.411 2.322 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001542370818 1124112747 /nfs/dbraw/zinc/11/27/47/1124112747.db2.gz FHOOZEDYFAEGLI-HNNXBMFYSA-N 0 0 336.457 2.050 10 10 EECERN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1C(C)=O ZINC000104197705 219359134 /nfs/dbraw/zinc/35/91/34/219359134.db2.gz OFLZLCRJSQJABV-MDWZMJQESA-N 0 0 331.353 2.394 10 10 EECERN Cc1ccc(CN(C)C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000297769250 465269883 /nfs/dbraw/zinc/26/98/83/465269883.db2.gz HZEOVOSFTVGEGE-UHFFFAOYSA-N 0 0 343.427 2.271 10 10 EECERN COc1ccc2c(c1)[C@@]1(C)CN(C3CCCCC3)C(=O)[C@]1(N)N2C ZINC000048533396 462917031 /nfs/dbraw/zinc/91/70/31/462917031.db2.gz FDSAOMXHFZKROP-MOPGFXCFSA-N 0 0 329.444 2.233 10 10 EECERN COC(=O)[C@H](NCc1cc(OC)c(OC)cc1O)c1cccc(O)c1 ZINC000276711670 463727846 /nfs/dbraw/zinc/72/78/46/463727846.db2.gz CYAVRQRPYZAKQS-QGZVFWFLSA-N 0 0 347.367 2.119 10 10 EECERN CN(Cc1cnccn1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000172283294 464037205 /nfs/dbraw/zinc/03/72/05/464037205.db2.gz DSASAXKUYAKHMA-UHFFFAOYSA-N 0 0 325.416 2.201 10 10 EECERN COC(=O)[C@H](CF)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000288435187 464045128 /nfs/dbraw/zinc/04/51/28/464045128.db2.gz VFVRHOSFKXFTGZ-HNNXBMFYSA-N 0 0 336.338 2.474 10 10 EECERN CN(C)c1ccc(CN2CCN(CC(F)(F)F)C(=O)C2)cc1F ZINC000289706347 464091912 /nfs/dbraw/zinc/09/19/12/464091912.db2.gz OTHWNAHSHBNXCC-UHFFFAOYSA-N 0 0 333.329 2.098 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270821911 464268306 /nfs/dbraw/zinc/26/83/06/464268306.db2.gz RERXZYHJHLUKQA-UHFFFAOYSA-N 0 0 331.376 2.057 10 10 EECERN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(N)cc3)CC(=O)N2C)cc1 ZINC000237298992 464299516 /nfs/dbraw/zinc/29/95/16/464299516.db2.gz ZHXKFHCYBSQHIQ-FUHWJXTLSA-N 0 0 339.395 2.436 10 10 EECERN C[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000189000542 464411746 /nfs/dbraw/zinc/41/17/46/464411746.db2.gz UNEFFAVCVZQSOC-HIFRSBDPSA-N 0 0 336.407 2.094 10 10 EECERN CO[C@@H]1COCC[C@H]1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000294810423 464611732 /nfs/dbraw/zinc/61/17/32/464611732.db2.gz CNDQMCJFGNHAHH-KBXCAEBGSA-N 0 0 333.428 2.329 10 10 EECERN COc1ccccc1N1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000182595630 464690042 /nfs/dbraw/zinc/69/00/42/464690042.db2.gz QRPWMGHDGCMDIM-ZDUSSCGKSA-N 0 0 342.395 2.424 10 10 EECERN COc1cc(N2CCN(C(=O)/C=C/C3CC3)CC2)cc(OC)c1OC ZINC000274089192 464733317 /nfs/dbraw/zinc/73/33/17/464733317.db2.gz XNXXOMNVFHACEK-VOTSOKGWSA-N 0 0 346.427 2.327 10 10 EECERN Cc1cc(Br)cc(CN2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282417143 464811346 /nfs/dbraw/zinc/81/13/46/464811346.db2.gz DODXKWFKRBNCOJ-JTQLQIEISA-N 0 0 327.222 2.126 10 10 EECERN C[C@H](NC(=O)N1CCO[C@@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000773620833 577354944 /nfs/dbraw/zinc/35/49/44/577354944.db2.gz XDOLBCKFXPXCMN-KSSFIOAISA-N 0 0 333.432 2.015 10 10 EECERN CCN(CC)c1ccc(CNC(=O)c2cc(=O)[nH]c(N(C)C)n2)cc1 ZINC000765226090 577497524 /nfs/dbraw/zinc/49/75/24/577497524.db2.gz IPEINIKWGUTSQU-UHFFFAOYSA-N 0 0 343.431 2.024 10 10 EECERN Cn1nccc1CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000766403375 577518670 /nfs/dbraw/zinc/51/86/70/577518670.db2.gz DRTJJOORSKGNHW-UHFFFAOYSA-N 0 0 345.358 2.377 10 10 EECERN C[C@H]1COCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000768302157 577553485 /nfs/dbraw/zinc/55/34/85/577553485.db2.gz JWORODAQVYNDPH-GXSJLCMTSA-N 0 0 328.206 2.444 10 10 EECERN Cc1cc(C(=O)Cn2cnn(C)c2=O)c(C)n1-c1ccc(F)cc1 ZINC000769261731 577573539 /nfs/dbraw/zinc/57/35/39/577573539.db2.gz VJZZIDGDMNYZHZ-UHFFFAOYSA-N 0 0 328.347 2.011 10 10 EECERN Cc1nnc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)s1 ZINC000761021613 577674320 /nfs/dbraw/zinc/67/43/20/577674320.db2.gz XBUNPDVASGRWBO-UHFFFAOYSA-N 0 0 338.776 2.174 10 10 EECERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000755066346 577818991 /nfs/dbraw/zinc/81/89/91/577818991.db2.gz YUOXEGHFBMNPRF-SECBINFHSA-N 0 0 347.371 2.076 10 10 EECERN C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1[O-] ZINC000757658131 577861985 /nfs/dbraw/zinc/86/19/85/577861985.db2.gz VAIHZKNQPNODPL-WFASDCNBSA-N 0 0 346.406 2.107 10 10 EECERN CCc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)no1 ZINC000740463266 578095068 /nfs/dbraw/zinc/09/50/68/578095068.db2.gz KETOOYZUNOPOGP-UHFFFAOYSA-N 0 0 330.388 2.395 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1csc(=O)[nH]1 ZINC000804740280 675612233 /nfs/dbraw/zinc/61/22/33/675612233.db2.gz DCSCLTZOYHZDDR-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC/C=C\c2ccccc2)c1 ZINC000255296864 676503989 /nfs/dbraw/zinc/50/39/89/676503989.db2.gz CAYQKZYKLWDDMI-YVMONPNESA-N 0 0 346.408 2.207 10 10 EECERN CC(C)COC[C@H](O)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896818166 685289402 /nfs/dbraw/zinc/28/94/02/685289402.db2.gz GWHGQFGZQOSYPD-LLVKDONJSA-N 0 0 339.413 2.076 10 10 EECERN CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000936220965 682561714 /nfs/dbraw/zinc/56/17/14/682561714.db2.gz YGFUQINKYBRZNX-KBPBESRZSA-N 0 0 343.387 2.074 10 10 EECERN COC(=O)c1c(CN[C@@H](C)c2nnc(C)[nH]2)c2cc(F)ccc2n1C ZINC000894779180 683087261 /nfs/dbraw/zinc/08/72/61/683087261.db2.gz WDAYXHCXOCYMMO-VIFPVBQESA-N 0 0 345.378 2.381 10 10 EECERN CCCN(CCC)c1ccc(CN2CCn3nnc(CO)c3C2)cc1 ZINC000894802158 683099737 /nfs/dbraw/zinc/09/97/37/683099737.db2.gz AKRTYEBEVSBBKK-UHFFFAOYSA-N 0 0 343.475 2.413 10 10 EECERN C[C@H](CC[S@@](C)=O)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896731332 685208950 /nfs/dbraw/zinc/20/89/50/685208950.db2.gz NECOFCMINHQRDG-IJSAXESFSA-N 0 0 327.427 2.199 10 10 EECERN CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899224942 693670562 /nfs/dbraw/zinc/67/05/62/693670562.db2.gz YEZSKSOBCNJTNF-GXFFZTMASA-N 0 0 337.397 2.188 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001142534035 1188238442 /nfs/dbraw/zinc/23/84/42/1188238442.db2.gz XCSLGNAGPLALAS-HNNXBMFYSA-N 0 0 348.305 2.185 10 10 EECERN C/C=C(/C)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486905975 1197067939 /nfs/dbraw/zinc/06/79/39/1197067939.db2.gz TUGOVSPQJJMGRB-ASBHMNMASA-N 0 0 345.403 2.392 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3ncccc3N)CC2)cc1 ZINC000865115264 1198092157 /nfs/dbraw/zinc/09/21/57/1198092157.db2.gz IKYBWCVHJNYJJW-UHFFFAOYSA-N 0 0 326.400 2.071 10 10 EECERN CO[C@H]1CN2C(=O)N(Cc3ccc(N4CC=CC4)cc3)C(=O)[C@@]2(C)C1 ZINC000865304392 1198161440 /nfs/dbraw/zinc/16/14/40/1198161440.db2.gz UWCGHRPWGZAYLT-VQIMIIECSA-N 0 0 341.411 2.004 10 10 EECERN CO[C@@H]1CN2C(=O)N([C@@H](C)c3ccc(N(C)C)cc3)C(=O)[C@@]2(C)C1 ZINC000865304632 1198161605 /nfs/dbraw/zinc/16/16/05/1198161605.db2.gz DURXESUDZYYSEK-XLWVJDPXSA-N 0 0 331.416 2.255 10 10 EECERN O=C1COc2cccc(NCc3ccc(N4CCOCC4)cc3)c2N1 ZINC000865870762 1198409745 /nfs/dbraw/zinc/40/97/45/1198409745.db2.gz ZMQYRVPUBPOYQI-UHFFFAOYSA-N 0 0 339.395 2.466 10 10 EECERN CNC(=O)CCN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825715812 1198833791 /nfs/dbraw/zinc/83/37/91/1198833791.db2.gz HIAVKGPVKNKXRH-UHFFFAOYSA-N 0 0 327.428 2.231 10 10 EECERN COc1ccc(O[C@@H](C)CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001137095674 1199406880 /nfs/dbraw/zinc/40/68/80/1199406880.db2.gz KEGHHJNRTVEQPR-LBPRGKRZSA-N 0 0 331.368 2.233 10 10 EECERN CCOC(=O)c1cc(CN2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000876527590 1199658330 /nfs/dbraw/zinc/65/83/30/1199658330.db2.gz BGJAALMNVLUTMZ-UHFFFAOYSA-N 0 0 345.399 2.182 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 ZINC000811288225 1199956818 /nfs/dbraw/zinc/95/68/18/1199956818.db2.gz CRQMOVMJTGJWHZ-UHFFFAOYSA-N 0 0 341.385 2.434 10 10 EECERN COc1ccc(N2CCN(C(=O)C3CCC(=O)CC3)CC2)c(OC)c1 ZINC000870164796 1200529129 /nfs/dbraw/zinc/52/91/29/1200529129.db2.gz BJRVHUABJBMTMS-UHFFFAOYSA-N 0 0 346.427 2.112 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccnc(F)c3)C2)cc1 ZINC000868762819 1201874331 /nfs/dbraw/zinc/87/43/31/1201874331.db2.gz VPFUQYGJVCCHKF-AWEZNQCLSA-N 0 0 344.390 2.307 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3ccnn3C)C2)cc1 ZINC000868763008 1201874475 /nfs/dbraw/zinc/87/44/75/1201874475.db2.gz YKLNNJLUZJNPTL-KGLIPLIRSA-N 0 0 343.431 2.068 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000187259109 1202093378 /nfs/dbraw/zinc/09/33/78/1202093378.db2.gz IWJAXQJOWVFLAF-KRWDZBQOSA-N 0 0 341.455 2.233 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(C2CC2)C1=O ZINC000930206596 1206541256 /nfs/dbraw/zinc/54/12/56/1206541256.db2.gz ZVQBUDLVAGSWNR-GOSISDBHSA-N 0 0 341.455 2.304 10 10 EECERN C[C@H](NC(=O)NCC1(CCO)CC1)c1ccc(N2CCOCC2)cc1 ZINC000779538964 1210458287 /nfs/dbraw/zinc/45/82/87/1210458287.db2.gz OBGNJQYNNQUURH-HNNXBMFYSA-N 0 0 347.459 2.046 10 10 EECERN C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(S(C)(=O)=O)CC1 ZINC000796492636 1219483372 /nfs/dbraw/zinc/48/33/72/1219483372.db2.gz OBPKYBQABRYDIG-MRVPVSSYSA-N 0 0 348.808 2.009 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@@H](O)CC[C@@H]3C)C2)cc1 ZINC000826992561 1248743988 /nfs/dbraw/zinc/74/39/88/1248743988.db2.gz BMYMQFSVNCSTQI-ZOBUZTSGSA-N 0 0 347.459 2.076 10 10 EECERN CC1CCN(c2ccc(CNC(=O)/C=C/Cn3cncn3)cc2)CC1 ZINC000900627185 1234582002 /nfs/dbraw/zinc/58/20/02/1234582002.db2.gz QDLICAPHFRHHQZ-NSCUHMNNSA-N 0 0 339.443 2.387 10 10 EECERN C[C@H](NC(=O)N1CCO[C@H](C(F)F)C1)c1ccc(N(C)C)cc1 ZINC000801049976 1235011992 /nfs/dbraw/zinc/01/19/92/1235011992.db2.gz AHPJFECMZHMBBH-FZMZJTMJSA-N 0 0 327.375 2.489 10 10 EECERN C[C@@H](NC(=O)N1CCO[C@H](C(F)F)C1)c1ccc(N(C)C)cc1 ZINC000801049977 1235012052 /nfs/dbraw/zinc/01/20/52/1235012052.db2.gz AHPJFECMZHMBBH-RISCZKNCSA-N 0 0 327.375 2.489 10 10 EECERN CCOc1ccc(N(CC)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801521281 1235770820 /nfs/dbraw/zinc/77/08/20/1235770820.db2.gz FGCNCERODCMVFL-AWEZNQCLSA-N 0 0 326.462 2.193 10 10 EECERN Cc1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000827611026 1248486742 /nfs/dbraw/zinc/48/67/42/1248486742.db2.gz KUWABPARFAZXIP-SJORKVTESA-N 0 0 348.830 2.315 10 10 EECERN C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CO1 ZINC000827617750 1248497579 /nfs/dbraw/zinc/49/75/79/1248497579.db2.gz MDNATWZKYRRPGL-KCJUWKMLSA-N 0 0 329.194 2.131 10 10 EECERN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CS1(=O)=O ZINC000850367773 1277202644 /nfs/dbraw/zinc/20/26/44/1277202644.db2.gz CZELSULMFKPACK-KWQFWETISA-N 0 0 348.808 2.009 10 10 EECERN CC[C@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001487714299 1286332426 /nfs/dbraw/zinc/33/24/26/1286332426.db2.gz LMJBUAKOWNKDEX-RYUDHWBXSA-N 0 0 347.419 2.472 10 10 EECERN COc1ccc(N2CCN(CCO[C@@H]3CC3(F)F)CC2)cc1F ZINC000851808091 1291851226 /nfs/dbraw/zinc/85/12/26/1291851226.db2.gz KXTWLMOWUFFGEZ-OAHLLOKOSA-N 0 0 330.350 2.381 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NO[C@@H]3CCCCO3)C2)cc1 ZINC000852291951 1292077587 /nfs/dbraw/zinc/07/75/87/1292077587.db2.gz JQRXODZHOPDGRI-XJKSGUPXSA-N 0 0 335.404 2.031 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3ccn(C)n3)C2)cc1 ZINC000852380770 1292102266 /nfs/dbraw/zinc/10/22/66/1292102266.db2.gz QNEAXWCWLZIUOU-ZIAGYGMSSA-N 0 0 343.431 2.068 10 10 EECERN C[C@@H]1COC2(CCC2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852441107 1292114779 /nfs/dbraw/zinc/11/47/79/1292114779.db2.gz KDUUIHWOGQAQFF-MRXNPFEDSA-N 0 0 345.487 2.354 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCSC[C@H]3C)C2)cc1 ZINC000852452648 1292117499 /nfs/dbraw/zinc/11/74/99/1292117499.db2.gz BURQICWHPDTRSO-KGLIPLIRSA-N 0 0 335.473 2.421 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000855233962 1293122898 /nfs/dbraw/zinc/12/28/98/1293122898.db2.gz QABXCKBDGKKVRL-GFCCVEGCSA-N 0 0 342.355 2.007 10 10 EECERN COc1ccc(COCC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000858199337 1294042947 /nfs/dbraw/zinc/04/29/47/1294042947.db2.gz IUNJLPLFCXGAKO-UHFFFAOYSA-N 0 0 343.427 2.331 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)cc1 ZINC000858199311 1294043022 /nfs/dbraw/zinc/04/30/22/1294043022.db2.gz IHDARDPKQTXDAH-GOSISDBHSA-N 0 0 337.423 2.238 10 10 EECERN C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)cc(F)c1[O-] ZINC000858494725 1294133942 /nfs/dbraw/zinc/13/39/42/1294133942.db2.gz MXFDZSYMKPRMDP-ZKWXMUAHSA-N 0 0 331.185 2.208 10 10 EECERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccnn2)cc1 ZINC000858927991 1294265334 /nfs/dbraw/zinc/26/53/34/1294265334.db2.gz PTDMMLIARAIVKV-KRWDZBQOSA-N 0 0 340.427 2.364 10 10 EECERN CCn1nc(C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861810699 1295548544 /nfs/dbraw/zinc/54/85/44/1295548544.db2.gz SCWGKFOJTIOWMB-ZDUSSCGKSA-N 0 0 343.431 2.093 10 10 EECERN CCOCCOCCCC(=O)NCc1ccc2cccnc2c1O ZINC000862025441 1295660413 /nfs/dbraw/zinc/66/04/13/1295660413.db2.gz UIRHMGRJNRHTDB-UHFFFAOYSA-N 0 0 332.400 2.390 10 10 EECERN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)N(C)CC(F)(F)F ZINC000862026665 1295661058 /nfs/dbraw/zinc/66/10/58/1295661058.db2.gz WMDPYIFNJWNTCF-JTQLQIEISA-N 0 0 341.333 2.439 10 10 EECERN CN(C)c1cc(F)c(CN2CCN(Cc3nccn3C)CC2)cc1F ZINC000862239660 1295765841 /nfs/dbraw/zinc/76/58/41/1295765841.db2.gz BYYYDSAZAGEYKM-UHFFFAOYSA-N 0 0 349.429 2.082 10 10 EECERN CONC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001141423197 1315142421 /nfs/dbraw/zinc/14/24/21/1315142421.db2.gz NPDFSYWWFBWCRK-FLIBITNWSA-N 0 0 340.401 2.095 10 10 EECERN Cc1cc(C(=O)CN2CCO[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1 ZINC000839671209 1315228934 /nfs/dbraw/zinc/22/89/34/1315228934.db2.gz KKNQLMYFTOQVHG-OXQOHEQNSA-N 0 0 342.439 2.358 10 10 EECERN Cc1cc(C(=O)CN2CCO[C@@H]([C@H](C)O)C2)c(C)n1-c1ccccc1 ZINC000839671207 1315229222 /nfs/dbraw/zinc/22/92/22/1315229222.db2.gz KKNQLMYFTOQVHG-OXJNMPFZSA-N 0 0 342.439 2.358 10 10 EECERN Cc1noc(CCNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840286107 1315344652 /nfs/dbraw/zinc/34/46/52/1315344652.db2.gz VURNEMQIJMEVNU-ZDUSSCGKSA-N 0 0 345.447 2.225 10 10 EECERN Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000841470618 1315560137 /nfs/dbraw/zinc/56/01/37/1315560137.db2.gz DMAKKEDTCSVOIX-ZDUSSCGKSA-N 0 0 328.368 2.485 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCn2ncnc21 ZINC001142419459 1315600892 /nfs/dbraw/zinc/60/08/92/1315600892.db2.gz RXZUCWPBQLORJA-WMLDXEAASA-N 0 0 341.459 2.277 10 10 EECERN Cc1cc([C@H]([NH3+])CC(=O)NCCc2ccc(N)cc2)cc(Cl)n1 ZINC000841848011 1315622433 /nfs/dbraw/zinc/62/24/33/1315622433.db2.gz QCZKTZFHHWCLLF-OAHLLOKOSA-N 0 0 332.835 2.374 10 10 EECERN Cc1cc(C(=O)COCCc2cn[nH]n2)c(C)n1-c1ccc(F)cn1 ZINC000842065499 1315656332 /nfs/dbraw/zinc/65/63/32/1315656332.db2.gz IKGKTOSFXGWRGN-UHFFFAOYSA-N 0 0 343.362 2.188 10 10 EECERN COc1ccc(N2CC[C@@H](COC(=O)c3cc(C)n(C)n3)C2)cc1 ZINC000842880081 1315790579 /nfs/dbraw/zinc/79/05/79/1315790579.db2.gz XTQNHXXCEDDLJV-CQSZACIVSA-N 0 0 329.400 2.420 10 10 EECERN COc1cccc(CNC(=O)NCc2nnc(C3CC3)s2)c1O ZINC001251895854 1317515083 /nfs/dbraw/zinc/51/50/83/1317515083.db2.gz SOBYOMJQQJAMEL-UHFFFAOYSA-N 0 0 334.401 2.129 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccnc2C2CC2)c1 ZINC001158724445 1319402938 /nfs/dbraw/zinc/40/29/38/1319402938.db2.gz PJNDYFVUYXLWJI-UHFFFAOYSA-N 0 0 347.396 2.288 10 10 EECERN COC(=O)c1c(CN2C[C@@H](O)C3(CC3)C2)c2cc(F)ccc2n1C ZINC001262111059 1322236709 /nfs/dbraw/zinc/23/67/09/1322236709.db2.gz VQYRETRNOPBCIJ-OAHLLOKOSA-N 0 0 332.375 2.061 10 10 EECERN O=C(Cc1cc2ccccc2c(=O)[nH]1)NCCc1ccc(O)c(O)c1 ZINC001294909569 1329762906 /nfs/dbraw/zinc/76/29/06/1329762906.db2.gz RIANMGTUHLVGLW-UHFFFAOYSA-N 0 0 338.363 2.253 10 10 EECERN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001295396888 1329808429 /nfs/dbraw/zinc/80/84/29/1329808429.db2.gz DZDYGRROVLMJOK-BDJLRTHQSA-N 0 0 333.359 2.408 10 10 EECERN C[C@@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2n1)c1ccc(N(C)C)cc1 ZINC001296649166 1329906768 /nfs/dbraw/zinc/90/67/68/1329906768.db2.gz QMKLLMNGWGNGOA-SNVBAGLBSA-N 0 0 325.372 2.221 10 10 EECERN COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(C)c(C)c1 ZINC001296806697 1329921710 /nfs/dbraw/zinc/92/17/10/1329921710.db2.gz RFKDFAINKGGFKR-SFHVURJKSA-N 0 0 343.379 2.288 10 10 EECERN Cc1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccc(N(C)C)cc1C ZINC001304237966 1331382491 /nfs/dbraw/zinc/38/24/91/1331382491.db2.gz IPGDWTZMFLZPEF-QGZVFWFLSA-N 0 0 329.448 2.234 10 10 EECERN CCn1cc(/C=C2/OCCn3c(C=O)c(Br)nc32)cn1 ZINC000901577063 1331515279 /nfs/dbraw/zinc/51/52/79/1331515279.db2.gz RDMCCCDDMHIORA-VZUCSPMQSA-N 0 0 337.177 2.203 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccns1 ZINC001328785416 1334521009 /nfs/dbraw/zinc/52/10/09/1334521009.db2.gz LGWORWTZPBRCML-GFCCVEGCSA-N 0 0 347.440 2.465 10 10 EECERN CO[C@H]1CC[C@@H](C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001333289223 1335996476 /nfs/dbraw/zinc/99/64/76/1335996476.db2.gz HVHRLFPOGPMSFR-WBVHZDCISA-N 0 0 348.443 2.069 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001334423418 1336251668 /nfs/dbraw/zinc/25/16/68/1336251668.db2.gz RDNHBWFILDRXAR-KGLIPLIRSA-N 0 0 349.408 2.333 10 10 EECERN C[C@@H](CN(C)C(=O)C(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001337458594 1336704449 /nfs/dbraw/zinc/70/44/49/1336704449.db2.gz LUZIBQABPSCKAH-NSHDSACASA-N 0 0 347.419 2.472 10 10 EECERN CN1CCCc2cc(CNC(=O)C(=O)NC3CCC=CCC3)ccc21 ZINC001338486965 1336867614 /nfs/dbraw/zinc/86/76/14/1336867614.db2.gz SEZYVPVKXAQORH-UHFFFAOYSA-N 0 0 341.455 2.300 10 10 EECERN COC(=O)[C@@]1(C(=O)NCc2cccc(O)c2O)C[C@H]1c1ccccc1 ZINC001350315759 1337694481 /nfs/dbraw/zinc/69/44/81/1337694481.db2.gz RFQKEPRTDCQXJD-LIRRHRJNSA-N 0 0 341.363 2.061 10 10 EECERN CCOCc1cc(C[NH2+][C@@H]2CCO[C@](C)(C(=O)[O-])C2)ccc1OC ZINC001353963133 1338379501 /nfs/dbraw/zinc/37/95/01/1338379501.db2.gz LLXHDDHMQPEAKV-QAPCUYQASA-N 0 0 337.416 2.344 10 10 EECERN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cncs1)c1ccc(N(C)C)cc1 ZINC001354674348 1338579032 /nfs/dbraw/zinc/57/90/32/1338579032.db2.gz HSXFMSDTSZNMKX-NEPJUHHUSA-N 0 0 346.456 2.264 10 10 EECERN CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000848557503 1338720971 /nfs/dbraw/zinc/72/09/71/1338720971.db2.gz FJVZTTOOPCHYGL-AMIZOPFISA-N 0 0 336.201 2.342 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CN2CCOCC2)cc1 ZINC001618738290 1352352800 /nfs/dbraw/zinc/35/28/00/1352352800.db2.gz JFOHBUQIRVWFLS-UHFFFAOYSA-N 0 0 342.395 2.111 10 10 EECERN COc1cc(COCC(=O)Nc2c3nonc3ccc2Cl)ccn1 ZINC001436139461 1342012789 /nfs/dbraw/zinc/01/27/89/1342012789.db2.gz YNHWUHCXSGAILF-UHFFFAOYSA-N 0 0 348.746 2.435 10 10 EECERN CNc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC001557639947 1342451618 /nfs/dbraw/zinc/45/16/18/1342451618.db2.gz LZHURZCHDZIAJW-UHFFFAOYSA-N 0 0 340.427 2.014 10 10 EECERN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1nnnn1C1CC1 ZINC001557994353 1342461991 /nfs/dbraw/zinc/46/19/91/1342461991.db2.gz UQDLUHIEJSSRRY-SSDOTTSWSA-N 0 0 345.384 2.125 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccccc1NC(=O)C1CC1 ZINC001558162321 1342466815 /nfs/dbraw/zinc/46/68/15/1342466815.db2.gz YXFDYCQAAXWZHY-UHFFFAOYSA-N 0 0 326.352 2.376 10 10 EECERN COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C=C2CCCCC2)cc1C ZINC001676510915 1357159704 /nfs/dbraw/zinc/15/97/04/1357159704.db2.gz JTVWZDYZOJZKQZ-GOSISDBHSA-N 0 0 346.471 2.461 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC1(c2ccccc2)CCOCC1 ZINC001585671789 1348812130 /nfs/dbraw/zinc/81/21/30/1348812130.db2.gz ZXFBUNGXUXGFLZ-UHFFFAOYSA-N 0 0 327.380 2.462 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc(OCC(F)(F)F)nc1 ZINC001593873122 1349873308 /nfs/dbraw/zinc/87/33/08/1349873308.db2.gz JJDUILUBHXBWDA-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(O)c1O ZINC001633507743 1352611224 /nfs/dbraw/zinc/61/12/24/1352611224.db2.gz JHIHEXNHKKPSLU-UHFFFAOYSA-N 0 0 334.353 2.415 10 10 EECERN COc1cccc(CNC(=O)c2cc(-c3ccncc3)nn2C)c1O ZINC001636061647 1352657543 /nfs/dbraw/zinc/65/75/43/1352657543.db2.gz USLHIYBAHZGUDQ-UHFFFAOYSA-N 0 0 338.367 2.126 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccns1 ZINC001637247210 1352675842 /nfs/dbraw/zinc/67/58/42/1352675842.db2.gz IICKCCZJHSDBNR-UHFFFAOYSA-N 0 0 340.788 2.318 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001639292424 1352696508 /nfs/dbraw/zinc/69/65/08/1352696508.db2.gz BJPCWLBEDIEEIV-UHFFFAOYSA-N 0 0 328.246 2.147 10 10 EECERN CN(C)c1ccc(CN(C)c2nc(Cl)nc3[nH]c(=O)[nH]c32)cc1 ZINC001641982658 1352727497 /nfs/dbraw/zinc/72/74/97/1352727497.db2.gz KBYZGOADTRLOSE-UHFFFAOYSA-N 0 0 332.795 2.414 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)c1cc(C(N)=O)nc(Cl)n1 ZINC001650089594 1353717000 /nfs/dbraw/zinc/71/70/00/1353717000.db2.gz ZCBNYBMUROUHDY-UHFFFAOYSA-N 0 0 345.834 2.466 10 10 EECERN COc1ccc(C(=O)C(=O)NCc2cccc(O)c2O)cc1Cl ZINC001651175853 1354042182 /nfs/dbraw/zinc/04/21/82/1354042182.db2.gz QDHZWVJQEUPJKW-UHFFFAOYSA-N 0 0 335.743 2.259 10 10 EECERN O=C(NCc1c(O)cccc1O)[C@H]1CCCN(c2ccccc2)C1=O ZINC001652625974 1354097353 /nfs/dbraw/zinc/09/73/53/1354097353.db2.gz PSMCZTFXTMEMLJ-CQSZACIVSA-N 0 0 340.379 2.157 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)Cc2ncccn2)c([N+](=O)[O-])c1 ZINC001655799233 1354185490 /nfs/dbraw/zinc/18/54/90/1354185490.db2.gz XYEYJPKPBDENHT-ALCCZGGFSA-N 0 0 328.328 2.207 10 10 EECERN C/C=C(\C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001681553277 1358028850 /nfs/dbraw/zinc/02/88/50/1358028850.db2.gz YEPSBUJRZULCSX-PGJRDNSLSA-N 0 0 349.431 2.078 10 10 EECERN COCc1nc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)co1 ZINC000819587826 785597956 /nfs/dbraw/zinc/59/79/56/785597956.db2.gz HNQZVCHFKWWRRV-CYBMUJFWSA-N 0 0 345.399 2.086 10 10 EECERN O=C(NCc1nnc2n1CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC001136269269 785684780 /nfs/dbraw/zinc/68/47/80/785684780.db2.gz VMTAXDGPPWTSAQ-UHFFFAOYSA-N 0 0 344.396 2.170 10 10 EECERN O=C1NCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708173090 786764485 /nfs/dbraw/zinc/76/44/85/786764485.db2.gz VEZUOBGIYZLVDF-SNVBAGLBSA-N 0 0 333.613 2.176 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)Nc3ccncc3C)C2)cc1 ZINC000822278722 787107773 /nfs/dbraw/zinc/10/77/73/787107773.db2.gz YXLKQIASVLFXCB-AWEZNQCLSA-N 0 0 326.400 2.221 10 10 EECERN O=C(C[C@H]1CCC2(CCOCC2)CO1)NCc1ccc(O)cc1O ZINC000910955438 787134381 /nfs/dbraw/zinc/13/43/81/787134381.db2.gz DYAAVHJAWQTGQA-OAHLLOKOSA-N 0 0 335.400 2.080 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)Nc3ccnnc3C)C2)cc1 ZINC000824284471 788103374 /nfs/dbraw/zinc/10/33/74/788103374.db2.gz QZETVHILXGRIJE-CQSZACIVSA-N 0 0 341.415 2.442 10 10 EECERN CCN(C(=O)c1cccc(O)c1O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000912487880 788195904 /nfs/dbraw/zinc/19/59/04/788195904.db2.gz HCVQVLAZGOPJFE-JTQLQIEISA-N 0 0 332.322 2.197 10 10 EECERN CCS(=O)(=O)c1ccccc1CC(=O)NCc1cc(C)ccc1O ZINC000913000852 788538376 /nfs/dbraw/zinc/53/83/76/788538376.db2.gz XQRUNDREALFWPD-UHFFFAOYSA-N 0 0 347.436 2.353 10 10 EECERN CS[C@H](C)C(=O)NCc1cc(NC(=O)[C@@H](C)SC)ccc1O ZINC000923126136 788900754 /nfs/dbraw/zinc/90/07/54/788900754.db2.gz HKYULRNODRFODC-NXEZZACHSA-N 0 0 342.486 2.450 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCOC2(C)C)cc1 ZINC000845230011 789682238 /nfs/dbraw/zinc/68/22/38/789682238.db2.gz YKUNBANVGQXOHB-INIZCTEOSA-N 0 0 335.448 2.340 10 10 EECERN CC(C)C(=O)N1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000045735076 789724333 /nfs/dbraw/zinc/72/43/33/789724333.db2.gz JBHJMGPBLYLWRJ-UHFFFAOYSA-N 0 0 333.432 2.181 10 10 EECERN CS(=O)(=O)c1cc(C(=O)NCCCSc2nccs2)co1 ZINC000845504634 789820303 /nfs/dbraw/zinc/82/03/03/789820303.db2.gz COUGMNYDUMWTOL-UHFFFAOYSA-N 0 0 346.455 2.052 10 10 EECERN O=C(NCCc1cnc(C2CC2)nc1)NCc1c(O)cccc1F ZINC000921648772 792587697 /nfs/dbraw/zinc/58/76/97/792587697.db2.gz FECGVIHKYXVQIV-UHFFFAOYSA-N 0 0 330.363 2.241 10 10 EECERN Cc1cc(C(=O)N(C)CC(=O)NC(C)(C)C)c(C)n1-c1ccccn1 ZINC000916128903 797515601 /nfs/dbraw/zinc/51/56/01/797515601.db2.gz ITLUJCPVGFJMGY-UHFFFAOYSA-N 0 0 342.443 2.476 10 10 EECERN COc1ccc(N2CCC(NC(=O)NCC3CSC3)CC2)cc1 ZINC000916226752 797558016 /nfs/dbraw/zinc/55/80/16/797558016.db2.gz ZKDVAUALWMNIBV-UHFFFAOYSA-N 0 0 335.473 2.326 10 10 EECERN O=C(NCc1cccc(O)c1O)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001176576784 798503142 /nfs/dbraw/zinc/50/31/42/798503142.db2.gz SJIIUJZRKNCEQH-CQSZACIVSA-N 0 0 341.285 2.466 10 10 EECERN C[C@]1(C(=O)NCc2c(O)cccc2F)Cc2ccccc2C(=O)O1 ZINC001178413045 799467628 /nfs/dbraw/zinc/46/76/28/799467628.db2.gz LOKSNPPNSHZCTE-GOSISDBHSA-N 0 0 329.327 2.319 10 10 EECERN CN1CCCC[C@@H](C(=O)NCc2c(O)ccc3ccccc32)C1=O ZINC001179032437 799759171 /nfs/dbraw/zinc/75/91/71/799759171.db2.gz GVXHBQKKXLOLKB-HNNXBMFYSA-N 0 0 326.396 2.420 10 10 EECERN CCN1C(=O)CC[N@H+](Cc2cccc(F)c2[O-])CC12CCOCC2 ZINC000581801918 803098097 /nfs/dbraw/zinc/09/80/97/803098097.db2.gz VRQOVLDVVYTACN-UHFFFAOYSA-N 0 0 336.407 2.135 10 10 EECERN Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1C(=O)N1CCOCC1 ZINC000787926321 807303103 /nfs/dbraw/zinc/30/31/03/807303103.db2.gz URZACVRGUAGVAT-UHFFFAOYSA-N 0 0 346.408 2.487 10 10 EECERN CN1CCCc2cc(CNC(=O)c3cc(Br)n[nH]3)ccc21 ZINC000788292639 807476672 /nfs/dbraw/zinc/47/66/72/807476672.db2.gz IQMRHBDDFOVYGJ-UHFFFAOYSA-N 0 0 349.232 2.485 10 10 EECERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000789862295 808249780 /nfs/dbraw/zinc/24/97/80/808249780.db2.gz HUZKQRPDSRGIKW-UTUOFQBUSA-N 0 0 340.445 2.270 10 10 EECERN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCC(F)F)cc2)C1 ZINC000793132935 810156958 /nfs/dbraw/zinc/15/69/58/810156958.db2.gz QLTFXEPICSNZAG-CYBMUJFWSA-N 0 0 339.386 2.050 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C\c2cn(C(C)C)nn2)c2ccccc21 ZINC000806572857 811926329 /nfs/dbraw/zinc/92/63/29/811926329.db2.gz ANLXQGCXOIWHET-DHDCSXOGSA-N 0 0 340.383 2.309 10 10 EECERN COc1ccc(-c2nc(C)c(C(=O)OCC(=O)C(C)=O)s2)cc1 ZINC000808497122 812666880 /nfs/dbraw/zinc/66/68/80/812666880.db2.gz ILXDPFXTWRARPH-UHFFFAOYSA-N 0 0 333.365 2.442 10 10 EECERN COc1ccc(N2CCC(NC(=O)Cc3[nH]cnc3C)CC2)cc1 ZINC001442925334 1097336697 /nfs/dbraw/zinc/33/66/97/1097336697.db2.gz FOMYKCNBDFMESK-UHFFFAOYSA-N 0 0 328.416 2.054 10 10 EECERN CC(C)S(=O)(=O)c1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001455355992 1108474568 /nfs/dbraw/zinc/47/45/68/1108474568.db2.gz FWSMDSUALICHQU-UHFFFAOYSA-N 0 0 349.408 2.210 10 10 EECERN O=C(NCc1c(O)cccc1O)c1noc(-c2cccc(F)c2)n1 ZINC001456238545 1109119223 /nfs/dbraw/zinc/11/92/23/1109119223.db2.gz ZIJBLLFOBLHCHM-UHFFFAOYSA-N 0 0 329.287 2.217 10 10 EECERN Cc1cc(CC(=O)N2CC(=O)N(C)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001459119471 1110082587 /nfs/dbraw/zinc/08/25/87/1110082587.db2.gz YXOHRHKLCQFVHO-OAHLLOKOSA-N 0 0 339.439 2.326 10 10 EECERN CNc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC001464306564 1110391322 /nfs/dbraw/zinc/39/13/22/1110391322.db2.gz FNMSWWJVTSZQBT-UHFFFAOYSA-N 0 0 344.390 2.029 10 10 EECERN CCCNC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001464337902 1110391882 /nfs/dbraw/zinc/39/18/82/1110391882.db2.gz ILEORIZZGQBGCH-UHFFFAOYSA-N 0 0 328.368 2.419 10 10 EECERN CN(C)C(=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001465088225 1110411096 /nfs/dbraw/zinc/41/10/96/1110411096.db2.gz AADWJSBGTAPDPB-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN NC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1Cl ZINC001465629288 1110420928 /nfs/dbraw/zinc/42/09/28/1110420928.db2.gz OQGKIUNXVYYSRP-ZDUSSCGKSA-N 0 0 348.786 2.027 10 10 EECERN COc1ccc(N2CCN(C(=O)Cc3ccncc3C)CC2)cc1 ZINC001465889575 1110425307 /nfs/dbraw/zinc/42/53/07/1110425307.db2.gz GYUGSIZFHVHTNH-UHFFFAOYSA-N 0 0 325.412 2.290 10 10 EECERN Cc1ccn(-c2ccccc2CNC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001466006618 1110428115 /nfs/dbraw/zinc/42/81/15/1110428115.db2.gz SDCHSRHKTQUTEU-UHFFFAOYSA-N 0 0 337.379 2.451 10 10 EECERN CNC(=O)c1cncc(/C=C/C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001469873650 1110498275 /nfs/dbraw/zinc/49/82/75/1110498275.db2.gz DKFZCDWLYJXFSM-GORDUTHDSA-N 0 0 345.786 2.130 10 10 EECERN COc1ccc(CNC(=O)NCc2ccc3c(c2)ncn3C)c(O)c1 ZINC001479335453 1110682638 /nfs/dbraw/zinc/68/26/38/1110682638.db2.gz VBXKGEKLADPLHB-UHFFFAOYSA-N 0 0 340.383 2.287 10 10 EECERN CCc1nnc(N2CCOCC2)n1Cc1ccc2c(c1)CCCN2C ZINC001513953084 1118756790 /nfs/dbraw/zinc/75/67/90/1118756790.db2.gz OZOKORVRGWWSGC-UHFFFAOYSA-N 0 0 341.459 2.108 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](CO)[C@H](CCO)C2)cc1 ZINC001522643787 1119447068 /nfs/dbraw/zinc/44/70/68/1119447068.db2.gz DXNMNWFVEWJQSJ-QZTJIDSGSA-N 0 0 342.439 2.157 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001540488523 1124084577 /nfs/dbraw/zinc/08/45/77/1124084577.db2.gz VAVBZBRYNWZKRG-INIZCTEOSA-N 0 0 339.443 2.483 10 10 EECERN CCOC(=O)NCCCC(=O)NCCCSc1nccs1 ZINC001542956318 1124118123 /nfs/dbraw/zinc/11/81/23/1124118123.db2.gz RDDOOZWKCBXACH-UHFFFAOYSA-N 0 0 331.463 2.268 10 10 EECERN O=C1CN(c2ccc(CNc3ccc(Cl)cn3)cc2F)CCN1 ZINC000078663203 463138602 /nfs/dbraw/zinc/13/86/02/463138602.db2.gz DPLSSVVGDNMNBB-UHFFFAOYSA-N 0 0 334.782 2.422 10 10 EECERN CCN(C)c1ccc(CNC(=O)[C@H](C)S(=O)(=O)C(C)C)cc1F ZINC000069633330 463292545 /nfs/dbraw/zinc/29/25/45/463292545.db2.gz SJZJRWJMKHMBQF-LBPRGKRZSA-N 0 0 344.452 2.110 10 10 EECERN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-n2ccnc2)cc1 ZINC000096891462 463300916 /nfs/dbraw/zinc/30/09/16/463300916.db2.gz FFQFOFASKUWOHT-RVDMUPIBSA-N 0 0 340.408 2.175 10 10 EECERN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cccnc1-n1cncn1 ZINC000190766894 464718028 /nfs/dbraw/zinc/71/80/28/464718028.db2.gz MYWPJMHINQTGHZ-UHFFFAOYSA-N 0 0 333.754 2.450 10 10 EECERN Cc1noc(CCNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000176228379 464725054 /nfs/dbraw/zinc/72/50/54/464725054.db2.gz NWEGZIPXIQEBEA-UHFFFAOYSA-N 0 0 330.388 2.004 10 10 EECERN CCNC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000285882177 464731020 /nfs/dbraw/zinc/73/10/20/464731020.db2.gz RHVWQKCEKZSZMG-RCQQVGEISA-N 0 0 332.400 2.018 10 10 EECERN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1c(O)ccc2c1CCCC2 ZINC000266209297 464768582 /nfs/dbraw/zinc/76/85/82/464768582.db2.gz FUWQIIVKBADMFL-UHFFFAOYSA-N 0 0 342.355 2.285 10 10 EECERN COc1cccc(CNC(=O)c2cnn(CCC(F)(F)F)c2)c1O ZINC000183651873 464892503 /nfs/dbraw/zinc/89/25/03/464892503.db2.gz YPHLJUHTPLPYCE-UHFFFAOYSA-N 0 0 343.305 2.480 10 10 EECERN Cc1cc(C(=O)N2CCNC[C@@H]2C(F)F)c(C)n1-c1ccccn1 ZINC000367290788 466243583 /nfs/dbraw/zinc/24/35/83/466243583.db2.gz MLWVDLUPFLTKNN-CQSZACIVSA-N 0 0 334.370 2.168 10 10 EECERN Cc1[nH]nc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000734427778 577295982 /nfs/dbraw/zinc/29/59/82/577295982.db2.gz ZFKCQOMMNFAFGO-CQSZACIVSA-N 0 0 328.416 2.354 10 10 EECERN CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775736788 577444207 /nfs/dbraw/zinc/44/42/07/577444207.db2.gz JWOZSHGJFIEOCO-UHFFFAOYSA-N 0 0 344.814 2.302 10 10 EECERN CCc1cnc(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)s1 ZINC000769403908 577577152 /nfs/dbraw/zinc/57/71/52/577577152.db2.gz JJYIKAQXXIKGRZ-UHFFFAOYSA-N 0 0 347.440 2.462 10 10 EECERN COC(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000758473013 577625506 /nfs/dbraw/zinc/62/55/06/577625506.db2.gz WZIWEHNZJSYTOK-UHFFFAOYSA-N 0 0 327.384 2.317 10 10 EECERN CCN(CC)c1ccc(CN2C(=O)N[C@H](c3ccn(C)n3)C2=O)cc1 ZINC000761092008 577676402 /nfs/dbraw/zinc/67/64/02/577676402.db2.gz QISDFCLLMSLMIO-MRXNPFEDSA-N 0 0 341.415 2.059 10 10 EECERN CN(C)c1ccc(CN(C(=O)[C@@H](O)C2CCOCC2)C2CC2)cc1 ZINC000746118356 577922573 /nfs/dbraw/zinc/92/25/73/577922573.db2.gz WSNDDUNVKVTZKS-SFHVURJKSA-N 0 0 332.444 2.031 10 10 EECERN CN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCS(=O)(=O)C1 ZINC000740867040 578108443 /nfs/dbraw/zinc/10/84/43/578108443.db2.gz LCWSYBCUDFSICK-GFCCVEGCSA-N 0 0 341.473 2.262 10 10 EECERN Cc1cc(CCNC(=O)NCC[S@](C)=O)c(C)n1-c1ccccc1 ZINC000735102165 578134539 /nfs/dbraw/zinc/13/45/39/578134539.db2.gz JBTQWLHISZMROY-DEOSSOPVSA-N 0 0 347.484 2.314 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])[nH]1 ZINC000804734378 675610252 /nfs/dbraw/zinc/61/02/52/675610252.db2.gz CLSDRJUNEHZLQA-UHFFFAOYSA-N 0 0 340.133 2.321 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1cccc(O)c1O ZINC000804737697 675610499 /nfs/dbraw/zinc/61/04/99/675610499.db2.gz WJARLNHQFSNYEI-UHFFFAOYSA-N 0 0 338.157 2.496 10 10 EECERN O=C(NCc1cc(Br)ccc1O)C1(O)CCSCC1 ZINC000804737311 675611190 /nfs/dbraw/zinc/61/11/90/675611190.db2.gz OFDPGWVKAPZSKQ-UHFFFAOYSA-N 0 0 346.246 2.029 10 10 EECERN CCCNC(=O)CCC(=O)NCc1cc(Br)ccc1O ZINC000804739105 675611828 /nfs/dbraw/zinc/61/18/28/675611828.db2.gz QSUDSIZORTWZBC-UHFFFAOYSA-N 0 0 343.221 2.077 10 10 EECERN Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c(O)c1O ZINC000179499880 679835193 /nfs/dbraw/zinc/83/51/93/679835193.db2.gz BUEJWUDXUDQOGY-HNNXBMFYSA-N 0 0 340.379 2.332 10 10 EECERN CCNC(=O)C1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000178125649 681704701 /nfs/dbraw/zinc/70/47/01/681704701.db2.gz FZMOOWBTFXPINH-UHFFFAOYSA-N 0 0 343.402 2.441 10 10 EECERN CC(=O)N[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000152527932 683338302 /nfs/dbraw/zinc/33/83/02/683338302.db2.gz VVBFIGUPNNJQHX-GOSISDBHSA-N 0 0 325.412 2.195 10 10 EECERN O=C(N[C@@H]1CCc2[nH]cnc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000897088152 686097172 /nfs/dbraw/zinc/09/71/72/686097172.db2.gz XFGBXHCPPRQXRF-SECBINFHSA-N 0 0 329.381 2.323 10 10 EECERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928711628 687127388 /nfs/dbraw/zinc/12/73/88/687127388.db2.gz JZGDSUZNHVTUSF-MFKMUULPSA-N 0 0 340.420 2.095 10 10 EECERN CCOC(=O)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC000780949708 1187174948 /nfs/dbraw/zinc/17/49/48/1187174948.db2.gz FRSDCPBUWNJBBE-HNNXBMFYSA-N 0 0 343.379 2.483 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCc1ccnc(N2CCCCC2)c1 ZINC001626013601 1190896514 /nfs/dbraw/zinc/89/65/14/1190896514.db2.gz VOHGTXXEBWBSFX-UHFFFAOYSA-N 0 0 341.411 2.342 10 10 EECERN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C(=O)C1(C)CC1 ZINC001486905338 1197067554 /nfs/dbraw/zinc/06/75/54/1197067554.db2.gz FKRZCWRTMOPCEX-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN COC[C@]1(C)CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CCO1 ZINC000863830202 1197891633 /nfs/dbraw/zinc/89/16/33/1197891633.db2.gz TYPVXFXDAALSIT-IBGZPJMESA-N 0 0 343.427 2.367 10 10 EECERN CO[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)OC(C)(C)C ZINC000865053144 1198065003 /nfs/dbraw/zinc/06/50/03/1198065003.db2.gz HJAILLZZOIYKCN-INIZCTEOSA-N 0 0 348.443 2.042 10 10 EECERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000865323399 1198168457 /nfs/dbraw/zinc/16/84/57/1198168457.db2.gz OJQIFBIMNAKCTL-QAPCUYQASA-N 0 0 344.411 2.362 10 10 EECERN CC(C)n1ncnc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000865427745 1198212562 /nfs/dbraw/zinc/21/25/62/1198212562.db2.gz XMWJFCAWWNFBSD-UHFFFAOYSA-N 0 0 347.438 2.249 10 10 EECERN CN(CC(=O)NC(C)(C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000120673131 1198310107 /nfs/dbraw/zinc/31/01/07/1198310107.db2.gz QYCQKWIUFIUVAX-UHFFFAOYSA-N 0 0 337.439 2.009 10 10 EECERN COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000874240987 1198832758 /nfs/dbraw/zinc/83/27/58/1198832758.db2.gz GBEOVVLIFCKTRZ-DLBZAZTESA-N 0 0 330.428 2.492 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1cscn1 ZINC000828436473 1199946290 /nfs/dbraw/zinc/94/62/90/1199946290.db2.gz AOQLLJPAPNPLJW-LBPRGKRZSA-N 0 0 346.456 2.011 10 10 EECERN O=C([N-]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)(F)F ZINC000122591123 1200081161 /nfs/dbraw/zinc/08/11/61/1200081161.db2.gz ROGWFQNRRYHSJV-UHFFFAOYSA-N 0 0 341.377 2.397 10 10 EECERN COc1ccc(N2CCN(C(=O)Nc3nn(C)cc3C)CC2)cc1F ZINC000826052837 1200557263 /nfs/dbraw/zinc/55/72/63/1200557263.db2.gz HLYGJALAPHQAIV-UHFFFAOYSA-N 0 0 347.394 2.230 10 10 EECERN CCC(=O)Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000812535899 1200768853 /nfs/dbraw/zinc/76/88/53/1200768853.db2.gz JQVOKSOGTXNODK-UHFFFAOYSA-N 0 0 328.368 2.419 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CCC([C@@H](F)C(N)=O)CC2)c1O ZINC000879044529 1200824119 /nfs/dbraw/zinc/82/41/19/1200824119.db2.gz DQFKZTCWRBSMGV-CQSZACIVSA-N 0 0 342.798 2.284 10 10 EECERN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1Cc2cccc(O)c2C1 ZINC000871200029 1201097539 /nfs/dbraw/zinc/09/75/39/1201097539.db2.gz YGQBFBPAGYSFHG-ZDUSSCGKSA-N 0 0 340.354 2.427 10 10 EECERN CC(C)C1(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000866582005 1201554127 /nfs/dbraw/zinc/55/41/27/1201554127.db2.gz FYVKPPUUOQAILO-UHFFFAOYSA-N 0 0 338.473 2.131 10 10 EECERN C[C@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1ccccc1O ZINC000867836478 1201691023 /nfs/dbraw/zinc/69/10/23/1201691023.db2.gz USJUEKAQPBUSIC-VIFPVBQESA-N 0 0 349.334 2.191 10 10 EECERN C[C@H](NC(=O)NCC1(C(=O)N(C)C)CCCC1)c1ccccc1O ZINC000868250721 1201775988 /nfs/dbraw/zinc/77/59/88/1201775988.db2.gz OJQYNIMJUHSULD-ZDUSSCGKSA-N 0 0 333.432 2.401 10 10 EECERN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CC3)CC2)c(OC)c1 ZINC000868569399 1201837177 /nfs/dbraw/zinc/83/71/77/1201837177.db2.gz ICVGRUJPURBSBY-JKSUJKDBSA-N 0 0 345.443 2.334 10 10 EECERN COC[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCOC1 ZINC000886359401 1202496747 /nfs/dbraw/zinc/49/67/47/1202496747.db2.gz BNSULGDJHCIMQC-GWCFXTLKSA-N 0 0 344.795 2.485 10 10 EECERN COC(=O)C12CCC(CC1)N2Cc1ccc(N2CCOCC2)cc1 ZINC000931473445 1207390156 /nfs/dbraw/zinc/39/01/56/1207390156.db2.gz CUYVZPHPJMRWNH-UHFFFAOYSA-N 0 0 330.428 2.193 10 10 EECERN C/C=C\[C@H](O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000900509818 1234429025 /nfs/dbraw/zinc/42/90/25/1234429025.db2.gz YVWLKBSIZOGFAA-GWQWAINWSA-N 0 0 340.370 2.310 10 10 EECERN CC(=O)CCCc1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900599904 1234544738 /nfs/dbraw/zinc/54/47/38/1234544738.db2.gz DUQVQDZDYDDAQX-UHFFFAOYSA-N 0 0 328.416 2.075 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(CC)C2=O)cc1 ZINC000801798157 1236206602 /nfs/dbraw/zinc/20/66/02/1236206602.db2.gz SUMFTGRUBLKXDK-KRWDZBQOSA-N 0 0 346.475 2.295 10 10 EECERN CO[C@@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000850171434 1277076961 /nfs/dbraw/zinc/07/69/61/1277076961.db2.gz MZTDXNKNOQIZGE-GOSISDBHSA-N 0 0 348.443 2.069 10 10 EECERN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3COC(=O)N[C@@H]3C2)c1O ZINC001195810540 1283759655 /nfs/dbraw/zinc/75/96/55/1283759655.db2.gz TUZISLJNDNKROW-IINYFYTJSA-N 0 0 338.791 2.179 10 10 EECERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC1CSC1 ZINC000867223410 1284407262 /nfs/dbraw/zinc/40/72/62/1284407262.db2.gz IBCDCAQLYMLKDU-UHFFFAOYSA-N 0 0 343.832 2.300 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccncc3C)C2)cc1 ZINC000852452547 1292117863 /nfs/dbraw/zinc/11/78/63/1292117863.db2.gz ZVECOBLUULYZAR-MRXNPFEDSA-N 0 0 340.427 2.477 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@H]3CCO)C2)cc1 ZINC000854008945 1292580438 /nfs/dbraw/zinc/58/04/38/1292580438.db2.gz XAYPDBKVUKHSDN-RLFYNMQTSA-N 0 0 347.459 2.124 10 10 EECERN COc1ccc(N2CCN(C(=O)CC3CCN(OC)CC3)CC2)cc1 ZINC000854198487 1292669081 /nfs/dbraw/zinc/66/90/81/1292669081.db2.gz KPUOVBYVCKJFNY-UHFFFAOYSA-N 0 0 347.459 2.007 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]([C@H](C)O)C3)C2)cc1 ZINC000854299187 1292710418 /nfs/dbraw/zinc/71/04/18/1292710418.db2.gz FXRKIAFAMRNSPR-JYJNAYRXSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H]3CCSC3)C2)cc1 ZINC000854299728 1292711152 /nfs/dbraw/zinc/71/11/52/1292711152.db2.gz KNWHGCZRMJWNPI-ZFWWWQNUSA-N 0 0 335.473 2.421 10 10 EECERN Cc1cc(CC(=O)N[C@H]2CCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000855147066 1293085125 /nfs/dbraw/zinc/08/51/25/1293085125.db2.gz ZXAOJCUBSXDNOS-INIZCTEOSA-N 0 0 345.830 2.295 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C(C)C)c3N)C2)cc1 ZINC000855225488 1293117600 /nfs/dbraw/zinc/11/76/00/1293117600.db2.gz NTPIADPSYGWKTK-CYBMUJFWSA-N 0 0 343.431 2.064 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCCn3ccnc3C)C2)cc1 ZINC000855229639 1293121046 /nfs/dbraw/zinc/12/10/46/1293121046.db2.gz LCDLTKPISMWHHF-INIZCTEOSA-N 0 0 342.443 2.375 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3ccc(NC=O)cc3)C2)cc1 ZINC000855232793 1293121779 /nfs/dbraw/zinc/12/17/79/1293121779.db2.gz XXAUUURAZXKYKQ-INIZCTEOSA-N 0 0 339.395 2.272 10 10 EECERN CCOC(=O)[C@]1(F)CN(C(=O)C2=CC(=O)CS2)CC12CCC2 ZINC000855239329 1293124951 /nfs/dbraw/zinc/12/49/51/1293124951.db2.gz XSUJWLRSVQLHFA-OAHLLOKOSA-N 0 0 327.377 2.351 10 10 EECERN COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]2CCCC[C@@H]12 ZINC000855641764 1293283877 /nfs/dbraw/zinc/28/38/77/1293283877.db2.gz BURKLJMKAXRITK-OUCADQQQSA-N 0 0 333.384 2.292 10 10 EECERN C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)cc(F)c1[O-] ZINC000858522681 1294142034 /nfs/dbraw/zinc/14/20/34/1294142034.db2.gz HMPLWHOZHRTRMV-MWLCHTKSSA-N 0 0 347.228 2.275 10 10 EECERN CC1(C)C[C@H](S(=O)(=O)NCc2ccc(N3CCCC3)cc2)CO1 ZINC000858899784 1294255279 /nfs/dbraw/zinc/25/52/79/1294255279.db2.gz DYRHWKQMUSMZDT-INIZCTEOSA-N 0 0 338.473 2.274 10 10 EECERN Cn1ncc2c1C[C@H](C(=O)NCc1ccc3cccnc3c1O)CC2 ZINC000862026370 1295660705 /nfs/dbraw/zinc/66/07/05/1295660705.db2.gz LYHMCVAKSXRPEA-CYBMUJFWSA-N 0 0 336.395 2.095 10 10 EECERN CO[C@H]1C[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000863537106 1296325526 /nfs/dbraw/zinc/32/55/26/1296325526.db2.gz SLTHZTYFLAXAJS-GSJFWJNXSA-N 0 0 338.791 2.235 10 10 EECERN CCOc1ccc(N2CCN(C(=O)Cc3cnc(C)o3)CC2)cc1 ZINC001119597555 1309136878 /nfs/dbraw/zinc/13/68/78/1309136878.db2.gz GOQWUYRLGRCKHV-UHFFFAOYSA-N 0 0 329.400 2.273 10 10 EECERN COC(=O)[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840488307 1315370626 /nfs/dbraw/zinc/37/06/26/1315370626.db2.gz LEGYBYKZIQYRIU-HOCLYGCPSA-N 0 0 347.459 2.197 10 10 EECERN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001142444231 1315610821 /nfs/dbraw/zinc/61/08/21/1315610821.db2.gz OONKKKOBGGKHMA-JSGCOSHPSA-N 0 0 349.427 2.467 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1 ZINC000842920581 1315798903 /nfs/dbraw/zinc/79/89/03/1315798903.db2.gz SAFZWRSDFHWLPA-XIKOKIGWSA-N 0 0 337.416 2.007 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001153879908 1316907463 /nfs/dbraw/zinc/90/74/63/1316907463.db2.gz ZGAVQTCWTGXUEZ-AWEZNQCLSA-N 0 0 344.367 2.002 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC001153884784 1316908333 /nfs/dbraw/zinc/90/83/33/1316908333.db2.gz HYCKDZDDMWNWCL-HOCLYGCPSA-N 0 0 327.336 2.018 10 10 EECERN O=C(CCc1nc(C2CCCC2)no1)NCc1c(O)cccc1O ZINC001156885272 1318262433 /nfs/dbraw/zinc/26/24/33/1318262433.db2.gz BPRHLRFTQMDUII-UHFFFAOYSA-N 0 0 331.372 2.387 10 10 EECERN O=C(NCc1c(O)cccc1O)c1cn(-c2cccc(Cl)c2)nn1 ZINC001156885586 1318264036 /nfs/dbraw/zinc/26/40/36/1318264036.db2.gz KWGZBQZDKXWMHS-UHFFFAOYSA-N 0 0 344.758 2.262 10 10 EECERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001293599497 1328758125 /nfs/dbraw/zinc/75/81/25/1328758125.db2.gz YCBPUNPJKNSKTR-TZMCWYRMSA-N 0 0 345.403 2.226 10 10 EECERN CS(=O)(=O)C1(C(=O)NCc2c(O)ccc3ccccc32)CCC1 ZINC001157041756 1318362701 /nfs/dbraw/zinc/36/27/01/1318362701.db2.gz MLLJCJRORHXWSC-UHFFFAOYSA-N 0 0 333.409 2.129 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001157101839 1318402659 /nfs/dbraw/zinc/40/26/59/1318402659.db2.gz FLSQBDOMTNQORK-UHFFFAOYSA-N 0 0 334.372 2.181 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001299574966 1319528012 /nfs/dbraw/zinc/52/80/12/1319528012.db2.gz USRHHGCZWHTHMQ-CQSZACIVSA-N 0 0 341.285 2.466 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 ZINC001299586549 1319576400 /nfs/dbraw/zinc/57/64/00/1319576400.db2.gz MUBURKIRFQQAHH-UHFFFAOYSA-N 0 0 344.400 2.268 10 10 EECERN O=C(NCc1cccc(O)c1O)C1([C@H]2CCCCO2)CCOCC1 ZINC001263895830 1322549330 /nfs/dbraw/zinc/54/93/30/1322549330.db2.gz HUPVGMLNPYRYSI-OAHLLOKOSA-N 0 0 335.400 2.080 10 10 EECERN CC(=O)N1CCC[C@](C)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001286163888 1327321964 /nfs/dbraw/zinc/32/19/64/1327321964.db2.gz YMPYQCJSULUEOR-QGZVFWFLSA-N 0 0 345.403 2.227 10 10 EECERN COc1cc(C(=O)N[C@@H](C)C[C@H](C)NC(=O)C=C(C)C)cc(OC)n1 ZINC001288507760 1327817187 /nfs/dbraw/zinc/81/71/87/1327817187.db2.gz NCUOBFDCDVVATB-STQMWFEESA-N 0 0 349.431 2.078 10 10 EECERN CN(C)c1ccc(CNC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)cc1 ZINC001290252363 1328166319 /nfs/dbraw/zinc/16/63/19/1328166319.db2.gz DDMRWYDWLKGROM-INIZCTEOSA-N 0 0 341.386 2.319 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001302559239 1331329094 /nfs/dbraw/zinc/32/90/94/1331329094.db2.gz HTCRHCOLPSFNDL-CFNZNRNTSA-N 0 0 339.347 2.261 10 10 EECERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)CC(C)C ZINC001320520321 1332902032 /nfs/dbraw/zinc/90/20/32/1332902032.db2.gz VKYLDNWLZWAXRF-OCCSQVGLSA-N 0 0 337.416 2.370 10 10 EECERN O=C(c1cccc(O)c1O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001326560577 1334115642 /nfs/dbraw/zinc/11/56/42/1334115642.db2.gz NRFIZVRGBVZKRO-KDOFPFPSSA-N 0 0 331.343 2.038 10 10 EECERN COc1c(O)c(CN2CCO[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC001328902892 1334544357 /nfs/dbraw/zinc/54/43/57/1334544357.db2.gz JMDZGTQRQWJLLJ-AWEZNQCLSA-N 0 0 332.303 2.165 10 10 EECERN CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C(=O)[O-])CCCOC2)cc1F ZINC001329309711 1334624861 /nfs/dbraw/zinc/62/48/61/1334624861.db2.gz BVJKGJKNZLNBLP-INIZCTEOSA-N 0 0 328.359 2.002 10 10 EECERN CCN(CCc1cccs1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329344706 1334631472 /nfs/dbraw/zinc/63/14/72/1334631472.db2.gz PZJOZLBXWNXVNV-UHFFFAOYSA-N 0 0 344.436 2.387 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC001329390412 1334639338 /nfs/dbraw/zinc/63/93/38/1334639338.db2.gz ZVZYSTGCNALFQY-IRXDYDNUSA-N 0 0 338.407 2.271 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)c3noc(C)n3)C2)cc1 ZINC001330620391 1334878291 /nfs/dbraw/zinc/87/82/91/1334878291.db2.gz DXRZXPGRLBIHEM-DGCLKSJQSA-N 0 0 345.403 2.026 10 10 EECERN C[C@H](NC(=O)C(=O)N[C@H]1CCS[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001332948491 1335935181 /nfs/dbraw/zinc/93/51/81/1335935181.db2.gz NSXMBFHQHCBVMM-IPYPFGDCSA-N 0 0 349.500 2.330 10 10 EECERN O=C(NCC1C[C@H]2CC[C@@H](C1)S2)C(=O)N1Cc2cccc(O)c2C1 ZINC001333184538 1335978324 /nfs/dbraw/zinc/97/83/24/1335978324.db2.gz YCSSKRSSRSIHEN-QXMXGUDHSA-N 0 0 346.452 2.025 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)N(CCC1CC1)CC1CC1 ZINC001333504841 1336060242 /nfs/dbraw/zinc/06/02/42/1336060242.db2.gz SKSAIJCFNBTKSP-UHFFFAOYSA-N 0 0 330.428 2.389 10 10 EECERN COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001333858490 1336152182 /nfs/dbraw/zinc/15/21/82/1336152182.db2.gz LDKIMVLFCWRXBR-SCZZXKLOSA-N 0 0 335.381 2.384 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC(CC2CC2)C1 ZINC001334672606 1336281728 /nfs/dbraw/zinc/28/17/28/1336281728.db2.gz JHYCYNQTWAIURU-UHFFFAOYSA-N 0 0 341.455 2.162 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CC2CC1(C)C2 ZINC001347640195 1337516919 /nfs/dbraw/zinc/51/69/19/1337516919.db2.gz NKSPKPMORVVFAZ-ZUIJCZDSSA-N 0 0 343.471 2.119 10 10 EECERN COc1ccc(N2CCCN(C(=O)CN3CC(C)(C)C3)CC2)cc1 ZINC000847365219 1337981069 /nfs/dbraw/zinc/98/10/69/1337981069.db2.gz KEOFEYONDFKAFC-UHFFFAOYSA-N 0 0 331.460 2.076 10 10 EECERN CCn1cc(Br)c(C(=O)NCc2ccc(O)c(O)c2)n1 ZINC001631439243 1352583406 /nfs/dbraw/zinc/58/34/06/1352583406.db2.gz YYQNQACXYDPMDL-UHFFFAOYSA-N 0 0 340.177 2.007 10 10 EECERN CC/C=C(\C)C(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001584044632 1348717852 /nfs/dbraw/zinc/71/78/52/1348717852.db2.gz NLOGPPGUXRHLKY-TWJNLJMGSA-N 0 0 345.403 2.440 10 10 EECERN Cc1ccc(C(=O)N[C@@H](c2nccn2C)C(F)(F)F)c(O)c1O ZINC001608097583 1351624375 /nfs/dbraw/zinc/62/43/75/1351624375.db2.gz ZTNFVBSNPCFHBC-NSHDSACASA-N 0 0 329.278 2.173 10 10 EECERN O=C(c1ccc(O)cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001623640438 1352401781 /nfs/dbraw/zinc/40/17/81/1352401781.db2.gz KDSNHICFFBYRGK-HNNXBMFYSA-N 0 0 328.368 2.314 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)c2cccc(F)c2)cc1 ZINC001623814980 1352406277 /nfs/dbraw/zinc/40/62/77/1352406277.db2.gz XCDHQPDQIRXLCV-AWEZNQCLSA-N 0 0 330.319 2.452 10 10 EECERN COc1cccn2ncc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c12 ZINC001624954887 1352435909 /nfs/dbraw/zinc/43/59/09/1352435909.db2.gz MKHZTTYNIPTEFE-LLVKDONJSA-N 0 0 341.367 2.115 10 10 EECERN Cn1cccc1[C@@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001633759660 1352616966 /nfs/dbraw/zinc/61/69/66/1352616966.db2.gz OSIUWTRANTUROM-ZKKXHLJNSA-N 0 0 328.368 2.050 10 10 EECERN CNC(=O)Nc1cccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001633818258 1352618571 /nfs/dbraw/zinc/61/85/71/1352618571.db2.gz GFLLQXAOFUNLDB-LLVKDONJSA-N 0 0 343.383 2.210 10 10 EECERN CC(C)O[C@@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCOC1 ZINC001635492031 1352647363 /nfs/dbraw/zinc/64/73/63/1352647363.db2.gz FCKRVGVXZFMAJV-MRXNPFEDSA-N 0 0 334.376 2.163 10 10 EECERN COc1ccc2onc(CC(=O)NCc3cccc(OC)c3O)c2c1 ZINC001636061027 1352657140 /nfs/dbraw/zinc/65/71/40/1352657140.db2.gz BWMLRIKNWSGONV-UHFFFAOYSA-N 0 0 342.351 2.410 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccccc1NC(=O)C1CC1 ZINC001638351663 1352687685 /nfs/dbraw/zinc/68/76/85/1352687685.db2.gz ALCPQPIMVRBYJP-UHFFFAOYSA-N 0 0 326.352 2.376 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2csc(-c3cnn(C)c3)n2)c1 ZINC001640796787 1352714421 /nfs/dbraw/zinc/71/44/21/1352714421.db2.gz PBCYRFZOKKJKNG-UHFFFAOYSA-N 0 0 328.397 2.488 10 10 EECERN Cc1ccc(Br)nc1C(=O)NCc1cccc(O)c1O ZINC001644711069 1352767433 /nfs/dbraw/zinc/76/74/33/1352767433.db2.gz QDLYAQAEXOFBHR-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN O=C(NCc1cc(O)ccc1O)[C@H]1CCCCN1Cc1ccncc1 ZINC001644753486 1352768374 /nfs/dbraw/zinc/76/83/74/1352768374.db2.gz AKGQEKCTRKYZOF-QGZVFWFLSA-N 0 0 341.411 2.164 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCc2nccnc2C1 ZINC001647776705 1353401278 /nfs/dbraw/zinc/40/12/78/1353401278.db2.gz CQBAKCMDUWKKIY-UHFFFAOYSA-N 0 0 327.365 2.301 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1ccc2c(c1)C(=O)NCCO2 ZINC001648609221 1353436174 /nfs/dbraw/zinc/43/61/74/1353436174.db2.gz URNQBSYGXYJDRB-UHFFFAOYSA-N 0 0 346.770 2.098 10 10 EECERN Cc1cc(C(=O)NCc2cccc(O)c2O)nc(C(F)(F)F)n1 ZINC001651175499 1354042027 /nfs/dbraw/zinc/04/20/27/1354042027.db2.gz AECHZVPZGDCKSL-UHFFFAOYSA-N 0 0 327.262 2.145 10 10 EECERN COC(=O)c1cnc(NCc2cccc(Br)c2O)cn1 ZINC001651820206 1354066193 /nfs/dbraw/zinc/06/61/93/1354066193.db2.gz WWAXXHFIRPYVFD-UHFFFAOYSA-N 0 0 338.161 2.343 10 10 EECERN C[C@@H]1CCC(F)(F)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001655861762 1354187481 /nfs/dbraw/zinc/18/74/81/1354187481.db2.gz UUZMSLDGZQFFJR-CYBMUJFWSA-N 0 0 325.403 2.488 10 10 EECERN COc1cc(CCNC(=O)NCc2cc(Cl)ccc2O)ccn1 ZINC001684416013 1358264313 /nfs/dbraw/zinc/26/43/13/1358264313.db2.gz MPDQQEMBWMYZFA-UHFFFAOYSA-N 0 0 335.791 2.491 10 10 EECERN COCc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)o1 ZINC000919767014 770272639 /nfs/dbraw/zinc/27/26/39/770272639.db2.gz IVZHMIRLNPVZJH-UHFFFAOYSA-N 0 0 330.384 2.193 10 10 EECERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC000920497626 770728219 /nfs/dbraw/zinc/72/82/19/770728219.db2.gz ZLRBFDHQVRIDTC-SNVBAGLBSA-N 0 0 334.395 2.312 10 10 EECERN CCS(=O)(=O)c1ccccc1CC(=O)N(C)Cc1ccccc1O ZINC000906991888 784306095 /nfs/dbraw/zinc/30/60/95/784306095.db2.gz QQRIBZVDQMVQOE-UHFFFAOYSA-N 0 0 347.436 2.387 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000907274083 784490976 /nfs/dbraw/zinc/49/09/76/784490976.db2.gz ONEUVNQZHXCHRI-AUJRIZCKSA-N 0 0 341.407 2.238 10 10 EECERN C[C@@H]1CC[C@@H](O)CN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000817155348 784546599 /nfs/dbraw/zinc/54/65/99/784546599.db2.gz WZHSBSDOHSLLSG-RHSMWYFYSA-N 0 0 349.500 2.295 10 10 EECERN CCC[C@]1(C)C(=O)NCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907615402 784773010 /nfs/dbraw/zinc/77/30/10/784773010.db2.gz RPVYKOVWQHICSW-QGZVFWFLSA-N 0 0 348.424 2.443 10 10 EECERN O=C(NCCc1cccc(C(F)(F)F)n1)c1cccc(O)c1O ZINC000817452467 784773853 /nfs/dbraw/zinc/77/38/53/784773853.db2.gz PMVPNOUWOLMWPX-UHFFFAOYSA-N 0 0 326.274 2.484 10 10 EECERN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818360638 785256545 /nfs/dbraw/zinc/25/65/45/785256545.db2.gz BFRLOSMYKKFICK-GMSGAONNSA-N 0 0 331.199 2.497 10 10 EECERN COc1ccc(N2CCN(C(=O)/C=C\[C@H]3CCCO3)CC2)cc1F ZINC000819367536 785536362 /nfs/dbraw/zinc/53/63/62/785536362.db2.gz KHDCFNNMFLUEND-ZQMJAJRESA-N 0 0 334.391 2.218 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCCOCC1 ZINC000819698810 785646901 /nfs/dbraw/zinc/64/69/01/785646901.db2.gz SPFXAJOOMPEYSB-AWEZNQCLSA-N 0 0 335.400 2.101 10 10 EECERN CC(=O)C(=O)COC(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2 ZINC000820890593 786516753 /nfs/dbraw/zinc/51/67/53/786516753.db2.gz WSAQLURUYPRMDN-UHFFFAOYSA-N 0 0 344.342 2.123 10 10 EECERN CN(C)c1ccc(CNC(=O)c2ccc3ncn(C)c3n2)cc1F ZINC001136454125 786785480 /nfs/dbraw/zinc/78/54/80/786785480.db2.gz LFKKYYUDUPKYSC-UHFFFAOYSA-N 0 0 327.363 2.103 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000910951991 787132474 /nfs/dbraw/zinc/13/24/74/787132474.db2.gz NWDUJQHKIMTIHT-INIZCTEOSA-N 0 0 340.379 2.019 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)[C@@H]3CCCO3)C2)cc1 ZINC000911277903 787348527 /nfs/dbraw/zinc/34/85/27/787348527.db2.gz YATCZZLWVWVKMN-DAYGRLMNSA-N 0 0 332.444 2.453 10 10 EECERN CCc1noc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000823565842 787821479 /nfs/dbraw/zinc/82/14/79/787821479.db2.gz WOCOYFMVPWNDPP-LLVKDONJSA-N 0 0 331.376 2.041 10 10 EECERN C[N@@H+](Cc1ccc(Br)cc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000824849272 788322115 /nfs/dbraw/zinc/32/21/15/788322115.db2.gz FAWWWOGCHZWLHP-SNVBAGLBSA-N 0 0 348.262 2.021 10 10 EECERN C[C@H](C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000923045211 788700898 /nfs/dbraw/zinc/70/08/98/788700898.db2.gz OVGGSOASUKBOJA-WMLDXEAASA-N 0 0 348.443 2.069 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)Cc2cn3c(n2)CCCC3)cc1 ZINC000845114821 789582892 /nfs/dbraw/zinc/58/28/92/789582892.db2.gz NHDXFGHWICGYDZ-UHFFFAOYSA-N 0 0 326.444 2.487 10 10 EECERN O=C(NCc1c(O)cccc1F)NC1CCN(CC(F)F)CC1 ZINC000915445830 796035766 /nfs/dbraw/zinc/03/57/66/796035766.db2.gz AFVWFYHLKBLMAS-UHFFFAOYSA-N 0 0 331.338 2.060 10 10 EECERN O=C(NCc1ccc(N2CCCC2)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000075802100 797885283 /nfs/dbraw/zinc/88/52/83/797885283.db2.gz YVQLDDPZCIYHLO-UHFFFAOYSA-N 0 0 348.406 2.453 10 10 EECERN CSc1ncc(Cl)c(C(=O)NCc2cccc(O)c2O)n1 ZINC001176566487 798500866 /nfs/dbraw/zinc/50/08/66/798500866.db2.gz YHWGATGENGXOPY-UHFFFAOYSA-N 0 0 325.777 2.193 10 10 EECERN Cc1cc(C(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)c(C)n1-c1ccccc1C ZINC001178288420 799383427 /nfs/dbraw/zinc/38/34/27/799383427.db2.gz WPQKNVRMCURNTM-GBEXYDAJSA-N 0 0 328.412 2.017 10 10 EECERN CC(C)(C(=O)NCc1c(O)ccc2ccccc21)N1CCOCC1 ZINC001179033108 799759799 /nfs/dbraw/zinc/75/97/99/799759799.db2.gz UEASLOBGPFZJKA-UHFFFAOYSA-N 0 0 328.412 2.272 10 10 EECERN Cc1cc(C(=O)CN2CCNC(=O)CC2)c(C)n1-c1cccc(F)c1 ZINC000103470774 804221500 /nfs/dbraw/zinc/22/15/00/804221500.db2.gz UJAWUJYKSGZTEX-UHFFFAOYSA-N 0 0 343.402 2.238 10 10 EECERN CC(C)(C)[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 ZINC000790290123 808564447 /nfs/dbraw/zinc/56/44/47/808564447.db2.gz IYWXUZOHMJAVBF-AWEZNQCLSA-N 0 0 335.360 2.177 10 10 EECERN COc1ccc(CNC(=O)C(=O)c2ccc3c(c2)CCC3)c(O)c1 ZINC000794370949 810768698 /nfs/dbraw/zinc/76/86/98/810768698.db2.gz SSVOTXPVSRDDRW-UHFFFAOYSA-N 0 0 325.364 2.389 10 10 EECERN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000794375936 810803019 /nfs/dbraw/zinc/80/30/19/810803019.db2.gz YXHGFUXXTMWCEH-UHFFFAOYSA-N 0 0 343.358 2.481 10 10 EECERN CC(=O)C(=O)CSc1nc2cc(Br)c(C)nc2[nH]1 ZINC000808026255 812425799 /nfs/dbraw/zinc/42/57/99/812425799.db2.gz VOWAPCHLSOOFNG-UHFFFAOYSA-N 0 0 328.191 2.279 10 10 EECERN CC(=O)C(=O)COC(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000808493357 812663685 /nfs/dbraw/zinc/66/36/85/812663685.db2.gz BAFJVQFUKUZMDX-UHFFFAOYSA-N 0 0 337.328 2.176 10 10 EECERN CC(=O)C(=O)COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000808529364 812694645 /nfs/dbraw/zinc/69/46/45/812694645.db2.gz GIQCLCDGNMRGAQ-AWEZNQCLSA-N 0 0 349.383 2.344 10 10 EECERN COc1cc(C(=O)OCC(=O)C(C)=O)ccc1OCc1cscn1 ZINC000808499925 812697102 /nfs/dbraw/zinc/69/71/02/812697102.db2.gz AYVHYJAQQXAWFP-UHFFFAOYSA-N 0 0 349.364 2.046 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1nccc(C(F)(F)F)n1 ZINC001451527977 1097679138 /nfs/dbraw/zinc/67/91/38/1097679138.db2.gz UHGYXSAEHKQHGL-DUXPYHPUSA-N 0 0 339.273 2.236 10 10 EECERN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001448124731 1104059754 /nfs/dbraw/zinc/05/97/54/1104059754.db2.gz YFXMFHPFWSEGPT-MFKMUULPSA-N 0 0 332.360 2.263 10 10 EECERN C[C@H]1C(=O)Nc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001453264429 1106073602 /nfs/dbraw/zinc/07/36/02/1106073602.db2.gz DWFBSSJIINZCPC-UPZNUWHASA-N 0 0 338.363 2.480 10 10 EECERN Cc1ccc(O)c(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC001453651981 1106365605 /nfs/dbraw/zinc/36/56/05/1106365605.db2.gz QYXYXMUXTLVSCY-UHFFFAOYSA-N 0 0 326.312 2.415 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)COc2ccccc2)cc1 ZINC001465905319 1110426007 /nfs/dbraw/zinc/42/60/07/1110426007.db2.gz JTLJRZWDPICJCB-CQSZACIVSA-N 0 0 342.355 2.019 10 10 EECERN CC(C)c1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)[nH]1 ZINC001468369706 1110473383 /nfs/dbraw/zinc/47/33/83/1110473383.db2.gz MSYGDQHXWZTHJF-UHFFFAOYSA-N 0 0 332.385 2.484 10 10 EECERN COC(=O)c1cccc(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC001469247501 1110487663 /nfs/dbraw/zinc/48/76/63/1110487663.db2.gz AHQGBFPATVEFMB-UHFFFAOYSA-N 0 0 337.335 2.052 10 10 EECERN COc1ccccc1C(=O)NCC(=O)N[C@H](C)c1ccccc1O ZINC001471194185 1110518854 /nfs/dbraw/zinc/51/88/54/1110518854.db2.gz PYJHXIHXMZFWHF-GFCCVEGCSA-N 0 0 328.368 2.008 10 10 EECERN COc1cccc(-c2cc(C(=O)NCc3c(O)cccc3O)[nH]n2)c1 ZINC001472063486 1110540789 /nfs/dbraw/zinc/54/07/89/1110540789.db2.gz LCNVSCFTQOWAKS-UHFFFAOYSA-N 0 0 339.351 2.427 10 10 EECERN Cn1ncc(C(=O)NCc2cccc(Cl)c2O)c1-n1cccc1 ZINC001472316376 1110551518 /nfs/dbraw/zinc/55/15/18/1110551518.db2.gz PEFOBJCNDMTBGX-UHFFFAOYSA-N 0 0 330.775 2.500 10 10 EECERN O=C(NCCCNC(=O)c1ccccc1)NCc1c(O)cccc1F ZINC001478436068 1110654271 /nfs/dbraw/zinc/65/42/71/1110654271.db2.gz ZVDZOWBGTZKKAS-UHFFFAOYSA-N 0 0 345.374 2.151 10 10 EECERN CCOCc1nnc(N(C)OC)n1Cc1ccc(N(C)C)c(F)c1 ZINC001503022004 1113872986 /nfs/dbraw/zinc/87/29/86/1113872986.db2.gz DGBCSLRHCGGVOO-UHFFFAOYSA-N 0 0 337.399 2.066 10 10 EECERN Cc1nnsc1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001510500432 1117752538 /nfs/dbraw/zinc/75/25/38/1117752538.db2.gz UOUBXWUMOWETGR-UHFFFAOYSA-N 0 0 330.417 2.137 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)[C@H](CCCO)c1ccccc1 ZINC001519816286 1119108098 /nfs/dbraw/zinc/10/80/98/1119108098.db2.gz CGRRALCDXAXZKS-MRXNPFEDSA-N 0 0 329.396 2.313 10 10 EECERN CCn1nncc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001543446536 1124130041 /nfs/dbraw/zinc/13/00/41/1124130041.db2.gz BJXACUSSBFMUID-UHFFFAOYSA-N 0 0 333.355 2.260 10 10 EECERN Cc1[nH]c(C=O)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001544677080 1124163293 /nfs/dbraw/zinc/16/32/93/1124163293.db2.gz OSEYFAOLWMJPDP-UHFFFAOYSA-N 0 0 345.374 2.041 10 10 EECERN CC(C)(O)COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001545191350 1124182668 /nfs/dbraw/zinc/18/26/68/1124182668.db2.gz ZVAMWBYPAXGQKW-UHFFFAOYSA-N 0 0 331.368 2.429 10 10 EECERN COc1ccnc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804734603 675610786 /nfs/dbraw/zinc/61/07/86/675610786.db2.gz SICJQXPESUGWSG-UHFFFAOYSA-N 0 0 337.173 2.488 10 10 EECERN CCN(C)c1ccc(CNC(=O)C2CCN(C(C)=O)CC2)cc1F ZINC000089960882 462753957 /nfs/dbraw/zinc/75/39/57/462753957.db2.gz PJAJDODGLXVSKU-UHFFFAOYSA-N 0 0 335.423 2.157 10 10 EECERN C[C@@H](NC(=O)/C=C/c1ccc2c(c1)CCCN2C)c1nncn1C ZINC000069563990 463276095 /nfs/dbraw/zinc/27/60/95/463276095.db2.gz LGYVJYJLOQTANJ-BUUCAEBMSA-N 0 0 325.416 2.088 10 10 EECERN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2=O)n(C)n1 ZINC000186327655 463977467 /nfs/dbraw/zinc/97/74/67/463977467.db2.gz HWBBFWHKCDAOMX-IUODEOHRSA-N 0 0 346.406 2.419 10 10 EECERN Nc1ccc(CC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1 ZINC000178858916 463994746 /nfs/dbraw/zinc/99/47/46/463994746.db2.gz RZZUGWOMZSPXTG-AWEZNQCLSA-N 0 0 331.366 2.485 10 10 EECERN CC(=O)c1cc(F)cc(CN2CCN(c3cc(C)[nH]n3)CC2)c1O ZINC000187271696 464112381 /nfs/dbraw/zinc/11/23/81/464112381.db2.gz WLTBDRUWONLKLL-UHFFFAOYSA-N 0 0 332.379 2.088 10 10 EECERN COC(=O)C1CCC(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000179484507 464144750 /nfs/dbraw/zinc/14/47/50/464144750.db2.gz DJEPPBGTOSZUCP-UHFFFAOYSA-N 0 0 336.407 2.487 10 10 EECERN CCN1CC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1=O ZINC000272248874 464535979 /nfs/dbraw/zinc/53/59/79/464535979.db2.gz KSDNCWFCTAWNKB-BETUJISGSA-N 0 0 349.406 2.223 10 10 EECERN CO[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000294606165 464549937 /nfs/dbraw/zinc/54/99/37/464549937.db2.gz NYLQOLIJKSUIAD-QZTJIDSGSA-N 0 0 332.444 2.345 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCCn3ncnc32)c(C)n1-c1ccccn1 ZINC000175709105 464606234 /nfs/dbraw/zinc/60/62/34/464606234.db2.gz HEKRFNNSIQXMFG-HNNXBMFYSA-N 0 0 336.399 2.346 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(OCC2CC2)cn1 ZINC000285850614 464718055 /nfs/dbraw/zinc/71/80/55/464718055.db2.gz QBBOLLLSHIEUPV-LLVKDONJSA-N 0 0 343.383 2.038 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCc2noc(C)n2)cc1F ZINC000176577089 464804321 /nfs/dbraw/zinc/80/43/21/464804321.db2.gz PVCRCBYFHSRXRF-UHFFFAOYSA-N 0 0 335.383 2.363 10 10 EECERN Cc1cc(C(=O)CN2C[C@H](O)C[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000184723063 465021996 /nfs/dbraw/zinc/02/19/96/465021996.db2.gz CDBNGOUOEYYDSE-QZTJIDSGSA-N 0 0 342.439 2.013 10 10 EECERN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](O)Cc1ccccc1 ZINC000362868805 466086247 /nfs/dbraw/zinc/08/62/47/466086247.db2.gz REWYSADFGJDUPO-KRWDZBQOSA-N 0 0 340.423 2.472 10 10 EECERN CCN(CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(OC)c(OC)c1 ZINC000367279867 466236647 /nfs/dbraw/zinc/23/66/47/466236647.db2.gz BIOILBWAOLOWFV-INIZCTEOSA-N 0 0 348.443 2.168 10 10 EECERN COc1cc(O)c(CN[C@H](c2nc[nH]n2)c2ccccc2)cc1OC ZINC000372927266 466640025 /nfs/dbraw/zinc/64/00/25/466640025.db2.gz UYHARZOKUZOJKC-KRWDZBQOSA-N 0 0 340.383 2.407 10 10 EECERN COc1c([O-])c(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1[N+](=O)[O-] ZINC000375716386 466870160 /nfs/dbraw/zinc/87/01/60/466870160.db2.gz BGFNQVZLVOVIBH-UHFFFAOYSA-N 0 0 332.360 2.412 10 10 EECERN COc1ccc(N(C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000121908624 533982413 /nfs/dbraw/zinc/98/24/13/533982413.db2.gz MHENUPXABAZACR-GFCCVEGCSA-N 0 0 346.880 2.456 10 10 EECERN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C(=O)OC)C2)cc1 ZINC000298888347 520898387 /nfs/dbraw/zinc/89/83/87/520898387.db2.gz OPKPZDIPCULRSE-HNNXBMFYSA-N 0 0 333.432 2.237 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCN1CCCC1=O ZINC000053494275 528786775 /nfs/dbraw/zinc/78/67/75/528786775.db2.gz MBCXKEWCFOALMP-UHFFFAOYSA-N 0 0 346.475 2.297 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000729471409 576656318 /nfs/dbraw/zinc/65/63/18/576656318.db2.gz XLUUFGBBXOLEKT-BRLPQQTGSA-N 0 0 334.372 2.380 10 10 EECERN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000772319261 577264104 /nfs/dbraw/zinc/26/41/04/577264104.db2.gz OATOHKRRPOGOLG-NJAFHUGGSA-N 0 0 343.471 2.297 10 10 EECERN C[C@@H](NC(=O)CNC(=O)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000773991486 577377074 /nfs/dbraw/zinc/37/70/74/577377074.db2.gz BKKQHRATEMGYQJ-GFCCVEGCSA-N 0 0 331.441 2.421 10 10 EECERN COc1ccc(N2CCC(NC(=O)N3CCOCC[C@H]3C)CC2)cc1 ZINC000775428853 577437142 /nfs/dbraw/zinc/43/71/42/577437142.db2.gz GDPWOVZOOHTRLM-OAHLLOKOSA-N 0 0 347.459 2.484 10 10 EECERN Oc1cc2c(cc1CN1CCO[C@@H](c3cccs3)C1)[C@H](O)CO2 ZINC000768464743 577556445 /nfs/dbraw/zinc/55/64/45/577556445.db2.gz TVFAGVNYCCMCEN-GDBMZVCRSA-N 0 0 333.409 2.453 10 10 EECERN CC1(C)C[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000751663804 577757060 /nfs/dbraw/zinc/75/70/60/577757060.db2.gz GSOBMUXBWWUVFF-HOCLYGCPSA-N 0 0 329.444 2.051 10 10 EECERN Cc1cc(CCNC(=O)N[C@H](C)CC(N)=O)c(C)n1-c1ccccc1 ZINC000745390190 577913365 /nfs/dbraw/zinc/91/33/65/577913365.db2.gz ATLQLOOUHIUNMP-CYBMUJFWSA-N 0 0 342.443 2.200 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cnn(-c2ccccc2)n1 ZINC000747590202 577946686 /nfs/dbraw/zinc/94/66/86/577946686.db2.gz DRQHHWNADWJBTR-VQHVLOKHSA-N 0 0 337.335 2.435 10 10 EECERN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@]3(CC=CCC3)C1)cc2=O ZINC000738702157 578024268 /nfs/dbraw/zinc/02/42/68/578024268.db2.gz GBJNAPGQWJYSDL-SFHVURJKSA-N 0 0 342.399 2.455 10 10 EECERN CC[C@H](CO)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177351331 675906788 /nfs/dbraw/zinc/90/67/88/675906788.db2.gz ICPXWYXFFZZFTL-OAHLLOKOSA-N 0 0 340.851 2.137 10 10 EECERN CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000160403233 676198278 /nfs/dbraw/zinc/19/82/78/676198278.db2.gz AEISPKCWHNTKED-UHFFFAOYSA-N 0 0 348.378 2.005 10 10 EECERN COc1cccc(CNS(=O)(=O)c2cccc3ncccc32)c1O ZINC000161122456 678181955 /nfs/dbraw/zinc/18/19/55/678181955.db2.gz NNCOSQOXAPIBOI-UHFFFAOYSA-N 0 0 344.392 2.428 10 10 EECERN Nc1ccc(CCNC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000152537545 683347018 /nfs/dbraw/zinc/34/70/18/683347018.db2.gz MUNPDIDDIPHDEE-UHFFFAOYSA-N 0 0 326.396 2.332 10 10 EECERN CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)[n-]1 ZINC000895236365 684338288 /nfs/dbraw/zinc/33/82/88/684338288.db2.gz PMFIARNDCVJCFF-SNVBAGLBSA-N 0 0 335.383 2.037 10 10 EECERN CCCN1CCN(Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1=O ZINC000190269337 684682549 /nfs/dbraw/zinc/68/25/49/684682549.db2.gz VXNNIOOJHVVVFK-UHFFFAOYSA-N 0 0 345.487 2.356 10 10 EECERN Cc1cc(Br)c(O)c(CN2CCCn3nncc3C2)c1 ZINC000895756214 684713065 /nfs/dbraw/zinc/71/30/65/684713065.db2.gz SZQHXXYRMBXDLK-UHFFFAOYSA-N 0 0 337.221 2.461 10 10 EECERN Cc1cnn(C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C(=O)[O-])c1 ZINC000904005294 694266677 /nfs/dbraw/zinc/26/66/77/694266677.db2.gz KUXKJGHSJGDVAU-LAQIPUCWSA-N 0 0 328.416 2.014 10 10 EECERN O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1cc2cc(O)c(O)cc2s1 ZINC000897945956 691830947 /nfs/dbraw/zinc/83/09/47/691830947.db2.gz JGGCVXXJTJXYRV-QWRGUYRKSA-N 0 0 346.408 2.196 10 10 EECERN C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841978091 1188213584 /nfs/dbraw/zinc/21/35/84/1188213584.db2.gz UKANWEKXZHVBPC-QPUJVOFHSA-N 0 0 332.231 2.496 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)CC2(O)CCOCC2)cc1 ZINC000905457426 1189735500 /nfs/dbraw/zinc/73/55/00/1189735500.db2.gz RQUCZLAVNHAVCA-UHFFFAOYSA-N 0 0 334.460 2.423 10 10 EECERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)O1 ZINC000864931770 1198004547 /nfs/dbraw/zinc/00/45/47/1198004547.db2.gz OQJATCHGCMZUMT-UMVBOHGHSA-N 0 0 336.407 2.092 10 10 EECERN COC(=O)c1cc(OCc2ncnn2C(C)(C)C)ccc1N(C)C ZINC000865395144 1198194753 /nfs/dbraw/zinc/19/47/53/1198194753.db2.gz KYMOQBOJRDGKBM-UHFFFAOYSA-N 0 0 332.404 2.465 10 10 EECERN CNC(=O)c1cccc(COc2ccc(N(C)C)c(C(=O)OC)c2)c1 ZINC000865396706 1198195792 /nfs/dbraw/zinc/19/57/92/1198195792.db2.gz ZSSRVOJBVFHRSQ-UHFFFAOYSA-N 0 0 342.395 2.478 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CCN(C)c3ncccc3C2)cc1OC ZINC000866293494 1201486634 /nfs/dbraw/zinc/48/66/34/1201486634.db2.gz QEWVMGRVQVXVRG-UHFFFAOYSA-N 0 0 344.371 2.463 10 10 EECERN C[C@H]1Cc2cc(S(=O)(=O)N3Cc4cccc(O)c4C3)ccc2O1 ZINC000867691210 1201660088 /nfs/dbraw/zinc/66/00/88/1201660088.db2.gz RRBLGFCDWIQUIJ-NSHDSACASA-N 0 0 331.393 2.420 10 10 EECERN COCCn1ncc(C(=O)NCc2ccc3cccnc3c2O)c1C ZINC000868938858 1201909468 /nfs/dbraw/zinc/90/94/68/1201909468.db2.gz YKYLHNNROQXEPX-UHFFFAOYSA-N 0 0 340.383 2.022 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@@H](O)CC[C@H]3C)C2)cc1 ZINC000883697297 1202111996 /nfs/dbraw/zinc/11/19/96/1202111996.db2.gz BMYMQFSVNCSTQI-VYDXJSESSA-N 0 0 347.459 2.076 10 10 EECERN CC(=O)C(=O)COC(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC000884614649 1202341979 /nfs/dbraw/zinc/34/19/79/1202341979.db2.gz SQHMIKACLDHOKF-UHFFFAOYSA-N 0 0 335.356 2.373 10 10 EECERN CN(CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1[N+](=O)[O-] ZINC001302786033 1205300764 /nfs/dbraw/zinc/30/07/64/1205300764.db2.gz CUKDZSZOYJNRGR-UHFFFAOYSA-N 0 0 327.340 2.279 10 10 EECERN CCc1onc(C)c1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925466430 1206115663 /nfs/dbraw/zinc/11/56/63/1206115663.db2.gz ZONLZBBKSOOLDE-UHFFFAOYSA-N 0 0 329.356 2.215 10 10 EECERN Nc1ccc(CCNC(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)cc1 ZINC000926215353 1206204773 /nfs/dbraw/zinc/20/47/73/1206204773.db2.gz QRHGWAJUTTYVOI-AAEUAGOBSA-N 0 0 331.338 2.078 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926641866 1206234274 /nfs/dbraw/zinc/23/42/74/1206234274.db2.gz XWNDRUOZBFZUSQ-NXHRZFHOSA-N 0 0 347.459 2.088 10 10 EECERN Cc1ccc(CCC(=O)NCC(=O)NCc2c(O)cccc2F)cc1 ZINC000928712602 1206413935 /nfs/dbraw/zinc/41/39/35/1206413935.db2.gz UIZDUCHCJHFCCU-UHFFFAOYSA-N 0 0 344.386 2.205 10 10 EECERN Cc1cc(C(=O)N[C@@H](C)Cn2cncn2)c(C)n1-c1ccc(C#N)cc1 ZINC000077315210 1209758201 /nfs/dbraw/zinc/75/82/01/1209758201.db2.gz YTYIYSCSMYFGAL-ZDUSSCGKSA-N 0 0 348.410 2.376 10 10 EECERN CN(Cc1nc(-c2cccnc2)no1)Cc1cc2c(cc1O)OCO2 ZINC000093382862 1214869765 /nfs/dbraw/zinc/86/97/65/1214869765.db2.gz OMWVQCXZYLKNLF-UHFFFAOYSA-N 0 0 340.339 2.198 10 10 EECERN COc1cc(N(C)Cc2cn(CC3CC3)nn2)cc(OC)c1OC ZINC000827883981 1248922321 /nfs/dbraw/zinc/92/23/21/1248922321.db2.gz VTDSUNVWNQZIIS-UHFFFAOYSA-N 0 0 332.404 2.350 10 10 EECERN CN(C)c1ccc(CNC(=O)N2CCO[C@H](C(F)F)C2)cc1F ZINC000802060070 1236790492 /nfs/dbraw/zinc/79/04/92/1236790492.db2.gz DNCIINHEJHIRAK-ZDUSSCGKSA-N 0 0 331.338 2.067 10 10 EECERN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC2(CCCC2)O1 ZINC000826816676 1248083432 /nfs/dbraw/zinc/08/34/32/1248083432.db2.gz HHWILQREQCKYLO-LLVKDONJSA-N 0 0 347.371 2.464 10 10 EECERN Cc1ccccc1C1=NO[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC001137443454 1248460739 /nfs/dbraw/zinc/46/07/39/1248460739.db2.gz QOUKRHUKXLPADS-KRWDZBQOSA-N 0 0 326.352 2.216 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(C)(C)n2cc(N)cn2)cc1 ZINC000851630428 1277691205 /nfs/dbraw/zinc/69/12/05/1277691205.db2.gz MJWYRXIGXFFRJD-UHFFFAOYSA-N 0 0 329.448 2.363 10 10 EECERN COc1cccc(CNC(=O)c2c(C(F)F)nc3cnccn32)c1O ZINC001545684107 1290456257 /nfs/dbraw/zinc/45/62/57/1290456257.db2.gz KBMRPDGHTJGLEE-UHFFFAOYSA-N 0 0 348.309 2.311 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](OC(C)C)C3)C2)cc1 ZINC000852449138 1292116845 /nfs/dbraw/zinc/11/68/45/1292116845.db2.gz PYHNMLAAFQSXDC-MAUKXSAKSA-N 0 0 347.459 2.483 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NCc3ccncc3C)C2)cc1 ZINC000852452546 1292117405 /nfs/dbraw/zinc/11/74/05/1292117405.db2.gz ZVECOBLUULYZAR-INIZCTEOSA-N 0 0 340.427 2.477 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)CCOCC3CC3)C2)cc1 ZINC000852452861 1292117491 /nfs/dbraw/zinc/11/74/91/1292117491.db2.gz DMWGLYXAHNDIJN-INIZCTEOSA-N 0 0 347.459 2.342 10 10 EECERN CCO[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852454609 1292118982 /nfs/dbraw/zinc/11/89/82/1292118982.db2.gz POJVBXDBURJBHH-YJBOKZPZSA-N 0 0 347.459 2.484 10 10 EECERN CCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCOC1 ZINC000854297662 1292709123 /nfs/dbraw/zinc/70/91/23/1292709123.db2.gz QBDVNMAKXXAFJG-HOCLYGCPSA-N 0 0 333.432 2.094 10 10 EECERN COC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854301001 1292712154 /nfs/dbraw/zinc/71/21/54/1292712154.db2.gz GAEJGNDSVVPVJH-JKSUJKDBSA-N 0 0 347.459 2.342 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)c3cc(OC)cnc3F)C2)cc1 ZINC000855222913 1293116299 /nfs/dbraw/zinc/11/62/99/1293116299.db2.gz CXTYABIUKJIRNQ-GFCCVEGCSA-N 0 0 345.374 2.247 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)n3ccnc3)C2)cc1 ZINC000855223343 1293116609 /nfs/dbraw/zinc/11/66/09/1293116609.db2.gz GQCAIMBAULLGMD-GJZGRUSLSA-N 0 0 328.416 2.238 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)CCc3cncs3)C2)cc1 ZINC000855225327 1293117845 /nfs/dbraw/zinc/11/78/45/1293117845.db2.gz JZEZYLCJMOXAIO-ZDUSSCGKSA-N 0 0 331.441 2.479 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)nc(C)n3)C2)cc1 ZINC000855225901 1293119011 /nfs/dbraw/zinc/11/90/11/1293119011.db2.gz LUTZTTDBYUMXKQ-AWEZNQCLSA-N 0 0 326.400 2.111 10 10 EECERN CO[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856215131 1293448093 /nfs/dbraw/zinc/44/80/93/1293448093.db2.gz JZUKAWGKYFXRQN-RTBURBONSA-N 0 0 346.471 2.469 10 10 EECERN Cc1ccc(C(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)c(O)c1O ZINC000856456799 1293534184 /nfs/dbraw/zinc/53/41/84/1293534184.db2.gz UMYLZMDXRBTSOY-KRWDZBQOSA-N 0 0 342.395 2.435 10 10 EECERN CC[C@@H]([NH2+]CCC(=O)NCCC(=O)OC)c1cccc(Cl)c1[O-] ZINC000858542106 1294149561 /nfs/dbraw/zinc/14/95/61/1294149561.db2.gz RRODHNLNKVFSPY-CYBMUJFWSA-N 0 0 342.823 2.156 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)COCc1cc[nH]c(=O)c1 ZINC000858827259 1294238157 /nfs/dbraw/zinc/23/81/57/1294238157.db2.gz ZCRLHNCYINTENY-UHFFFAOYSA-N 0 0 343.427 2.419 10 10 EECERN Cc1cc(C(=O)CN2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000860158862 1294844409 /nfs/dbraw/zinc/84/44/09/1294844409.db2.gz SJYVNLMOTABWGF-CRAIPNDOSA-N 0 0 338.407 2.382 10 10 EECERN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000862466367 1295853917 /nfs/dbraw/zinc/85/39/17/1295853917.db2.gz YWJZZMRNQHOSLK-LLVKDONJSA-N 0 0 326.736 2.305 10 10 EECERN CN1CCOC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000862508811 1295861723 /nfs/dbraw/zinc/86/17/23/1295861723.db2.gz XWFORKWIQHAXKW-SFHVURJKSA-N 0 0 342.439 2.391 10 10 EECERN COC[C@]1(C)CN(Cc2ccc(Br)cc2O)CCO1 ZINC000862550990 1295877383 /nfs/dbraw/zinc/87/73/83/1295877383.db2.gz IYNHAUOLFNZOBX-AWEZNQCLSA-N 0 0 330.222 2.392 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3COCCC3=O)c2C)cc1 ZINC000862932567 1296027244 /nfs/dbraw/zinc/02/72/44/1296027244.db2.gz PFCGLWTWDCLAQO-QGZVFWFLSA-N 0 0 342.395 2.191 10 10 EECERN COc1ccc(-n2c(C)cc(C(=O)N(C)S(C)(=O)=O)c2C)cc1 ZINC001116221534 1305863607 /nfs/dbraw/zinc/86/36/07/1305863607.db2.gz IFXSBKMJAMLQSQ-UHFFFAOYSA-N 0 0 336.413 2.134 10 10 EECERN CN1CCN(c2ccc(C[NH+]3CCC(C)(C(=O)[O-])CC3)cc2F)CC1 ZINC001118177100 1306306014 /nfs/dbraw/zinc/30/60/14/1306306014.db2.gz MGIHUSGSAWUZDG-UHFFFAOYSA-N 0 0 349.450 2.264 10 10 EECERN Cn1ccnc1[C@@H](NC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC001123883816 1310748688 /nfs/dbraw/zinc/74/86/88/1310748688.db2.gz JHRNDWGNEUIXET-LLVKDONJSA-N 0 0 346.284 2.368 10 10 EECERN COc1ccc(CNC(=O)/C(=C/c2cccs2)NC(C)=O)c(O)c1 ZINC001139033155 1314691772 /nfs/dbraw/zinc/69/17/72/1314691772.db2.gz ZIHPLNIDZWHLNK-DHDCSXOGSA-N 0 0 346.408 2.256 10 10 EECERN CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841347234 1315536418 /nfs/dbraw/zinc/53/64/18/1315536418.db2.gz OZZMRKZZJSWLAQ-KDOFPFPSSA-N 0 0 331.460 2.119 10 10 EECERN C[C@@]1(C(=O)NCc2cccc(O)c2O)CC(c2ccccc2)=NO1 ZINC001153798097 1316885846 /nfs/dbraw/zinc/88/58/46/1316885846.db2.gz MANVONGJEYYEAF-SFHVURJKSA-N 0 0 326.352 2.297 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc2c(c1)NC(=O)CCS2 ZINC001153879874 1316907586 /nfs/dbraw/zinc/90/75/86/1316907586.db2.gz YRNPVYOALOCPTA-UHFFFAOYSA-N 0 0 344.392 2.462 10 10 EECERN O=C(Nc1ccc(OCCO)nc1)c1cc2cc(O)c(O)cc2s1 ZINC001157339583 1318573306 /nfs/dbraw/zinc/57/33/06/1318573306.db2.gz YSJMHJVSEYNGGU-UHFFFAOYSA-N 0 0 346.364 2.331 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CN2CCCC2=O)cc1 ZINC001291566398 1328305549 /nfs/dbraw/zinc/30/55/49/1328305549.db2.gz MDMQNMMJEAJNHC-UHFFFAOYSA-N 0 0 340.379 2.401 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)c1cccc2c1OC(F)(F)O2 ZINC001294909748 1329762985 /nfs/dbraw/zinc/76/29/85/1329762985.db2.gz YVDJJBDFXGHVEZ-UHFFFAOYSA-N 0 0 337.278 2.392 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1noc(-c2cccc(F)c2)n1 ZINC001303223646 1331350419 /nfs/dbraw/zinc/35/04/19/1331350419.db2.gz YSMWJMGEPCOBJZ-UHFFFAOYSA-N 0 0 329.287 2.217 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CSC1(C)C ZINC001324882478 1333779799 /nfs/dbraw/zinc/77/97/99/1333779799.db2.gz JMEFLGCTTPMRFZ-AWEZNQCLSA-N 0 0 336.457 2.141 10 10 EECERN C[C@H]([NH2+]CCOCCCO)c1cc(Br)cc(F)c1[O-] ZINC001325887942 1333986032 /nfs/dbraw/zinc/98/60/32/1333986032.db2.gz OROHDIUFEWXIQC-VIFPVBQESA-N 0 0 336.201 2.343 10 10 EECERN C[C@H](NCc1nc(Br)nn1C)c1ccc(N(C)C)cc1 ZINC001332737133 1335894757 /nfs/dbraw/zinc/89/47/57/1335894757.db2.gz NWBQVLWGKRIEKK-JTQLQIEISA-N 0 0 338.253 2.494 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc1F ZINC001333834174 1336145208 /nfs/dbraw/zinc/14/52/08/1336145208.db2.gz NZGLVCHWFKDCLP-OFQRWUPVSA-N 0 0 347.434 2.203 10 10 EECERN O=C(NCc1cc(Cl)ccc1O)c1ccc2n[nH]c(=S)n2c1 ZINC001300395857 1338333663 /nfs/dbraw/zinc/33/36/63/1338333663.db2.gz FLEHCMHRIGUGCM-UHFFFAOYSA-N 0 0 334.788 2.307 10 10 EECERN COc1ccc(N2CCN(c3nccc4c(=O)[nH]cnc43)CC2)cc1 ZINC000848639632 1338734770 /nfs/dbraw/zinc/73/47/70/1338734770.db2.gz CNMDNXYMHOJILD-UHFFFAOYSA-N 0 0 337.383 2.066 10 10 EECERN COC(=O)c1cc(OCc2onc(C)c2[N+](=O)[O-])ccc1N(C)C ZINC001614869524 1352321764 /nfs/dbraw/zinc/32/17/64/1352321764.db2.gz SLRAMUXVKOJVJG-UHFFFAOYSA-N 0 0 335.316 2.323 10 10 EECERN CNC(=O)Nc1cccc(C(=O)NCc2ccc(OC)cc2O)c1 ZINC001617763238 1352344715 /nfs/dbraw/zinc/34/47/15/1352344715.db2.gz RBJOZFDDLAEYNT-UHFFFAOYSA-N 0 0 329.356 2.082 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001556515995 1342430345 /nfs/dbraw/zinc/43/03/45/1342430345.db2.gz VMBBFQIWUAWLSI-LBPRGKRZSA-N 0 0 341.448 2.435 10 10 EECERN Cn1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1C1CC1 ZINC001558541754 1342480969 /nfs/dbraw/zinc/48/09/69/1342480969.db2.gz POORMGWLERIZRG-UHFFFAOYSA-N 0 0 326.360 2.390 10 10 EECERN Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C)C2)c(C)n1-c1cccc(C)c1 ZINC001587880973 1348873781 /nfs/dbraw/zinc/87/37/81/1348873781.db2.gz ONMFCHJKXWKVHF-QGZVFWFLSA-N 0 0 339.439 2.497 10 10 EECERN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1cccc(O)c1O ZINC001595494922 1349887577 /nfs/dbraw/zinc/88/75/77/1349887577.db2.gz NYOHGQFPXZMZEG-UHFFFAOYSA-N 0 0 334.715 2.334 10 10 EECERN CN(C)c1ccc(CNC(=O)c2cccc3nc[nH]c(=O)c32)cc1F ZINC001627045896 1352481397 /nfs/dbraw/zinc/48/13/97/1352481397.db2.gz HXHYURQBZPRGLO-UHFFFAOYSA-N 0 0 340.358 2.471 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(F)n1 ZINC001630480817 1352569313 /nfs/dbraw/zinc/56/93/13/1352569313.db2.gz ILWKPMJRLDHZHG-UHFFFAOYSA-N 0 0 332.331 2.132 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccc(-c2ccco2)[nH]c1=O ZINC001651223214 1354044811 /nfs/dbraw/zinc/04/48/11/1354044811.db2.gz ZWASQPWRNFVWDV-UHFFFAOYSA-N 0 0 326.308 2.388 10 10 EECERN Cc1c(C(=O)NCc2c(O)cccc2O)nnn1CC1CCCC1 ZINC001652625368 1354097075 /nfs/dbraw/zinc/09/70/75/1354097075.db2.gz CXZJOSRSGXWFDC-UHFFFAOYSA-N 0 0 330.388 2.118 10 10 EECERN CC(=O)N[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC001680984615 1357936464 /nfs/dbraw/zinc/93/64/64/1357936464.db2.gz MORUBGNQSOOIOM-ZDUSSCGKSA-N 0 0 333.392 2.130 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC001686826733 1358490230 /nfs/dbraw/zinc/49/02/30/1358490230.db2.gz ODHSUAJNFZLMAO-DHSIGJKJSA-N 0 0 333.476 2.404 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC001686826734 1358490260 /nfs/dbraw/zinc/49/02/60/1358490260.db2.gz ODHSUAJNFZLMAO-QIIPPGSGSA-N 0 0 333.476 2.404 10 10 EECERN CN(CCNC(=O)CC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001688307866 1358909579 /nfs/dbraw/zinc/90/95/79/1358909579.db2.gz AJEPWLYPOMSHPP-UHFFFAOYSA-N 0 0 347.419 2.473 10 10 EECERN CCS(=O)(=O)c1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001167293577 757708101 /nfs/dbraw/zinc/70/81/01/757708101.db2.gz JXAWKWQQEHKIHP-UHFFFAOYSA-N 0 0 333.409 2.424 10 10 EECERN COC(=O)N(C)CC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000690817891 768850710 /nfs/dbraw/zinc/85/07/10/768850710.db2.gz ZUKKPFATZYVRLH-UHFFFAOYSA-N 0 0 331.210 2.285 10 10 EECERN O=C(NCc1c(O)cccc1F)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000921405724 773338869 /nfs/dbraw/zinc/33/88/69/773338869.db2.gz WZCGYTUCCJOJQJ-LLVKDONJSA-N 0 0 348.353 2.144 10 10 EECERN C/C(=C/c1cccnc1)C(=O)N(C)c1ccc(N2CCOCC2)nc1 ZINC000846959310 790780322 /nfs/dbraw/zinc/78/03/22/790780322.db2.gz GOLZJQMWMAPJMN-QINSGFPZSA-N 0 0 338.411 2.380 10 10 EECERN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000818361572 785256196 /nfs/dbraw/zinc/25/61/96/785256196.db2.gz LPIJMDMDTNUJBW-HQJQHLMTSA-N 0 0 331.199 2.497 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)c1cccnc1 ZINC000819696646 785644135 /nfs/dbraw/zinc/64/41/35/785644135.db2.gz YVDKWGVNHUIPDO-AWEZNQCLSA-N 0 0 342.395 2.483 10 10 EECERN CCn1nccc1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822373068 787149093 /nfs/dbraw/zinc/14/90/93/787149093.db2.gz WSYWTFJUSJWAMX-CYBMUJFWSA-N 0 0 329.404 2.312 10 10 EECERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CC12CC2 ZINC000823862214 787966089 /nfs/dbraw/zinc/96/60/89/787966089.db2.gz LPXRDVWJRGCFSB-QGZVFWFLSA-N 0 0 329.444 2.247 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc2c1CC(=O)N2 ZINC000824234279 788094171 /nfs/dbraw/zinc/09/41/71/788094171.db2.gz HMDCPPFCIYPAGB-UHFFFAOYSA-N 0 0 338.411 2.305 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@H]4CC[C@@H](C3)O4)C2)cc1 ZINC000824694982 788277531 /nfs/dbraw/zinc/27/75/31/788277531.db2.gz UBJPNVZYKZGBFN-JCGIZDLHSA-N 0 0 345.443 2.094 10 10 EECERN COc1ccc(N(C)CCN(C)S(=O)(=O)c2cnccc2C)cc1 ZINC000845987994 790013467 /nfs/dbraw/zinc/01/34/67/790013467.db2.gz RAEOLZRPZRSSKB-UHFFFAOYSA-N 0 0 349.456 2.156 10 10 EECERN Cc1nn(C)c(Cl)c1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000846026381 790027685 /nfs/dbraw/zinc/02/76/85/790027685.db2.gz VCMVHPOALUVDGF-FNORWQNLSA-N 0 0 335.791 2.465 10 10 EECERN Cc1ccc(C(=O)N2CCn3cnc(C(F)(F)F)c3C2)c(O)c1O ZINC000915487734 796086465 /nfs/dbraw/zinc/08/64/65/796086465.db2.gz FTQHXFVRLWKPEW-UHFFFAOYSA-N 0 0 341.289 2.278 10 10 EECERN Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)c1ccccc1O ZINC001171723085 796704410 /nfs/dbraw/zinc/70/44/10/796704410.db2.gz LZTPRUQHPWPWTL-GFCCVEGCSA-N 0 0 337.379 2.288 10 10 EECERN COCCN(C[C@@H]1CCC2(COC2)O1)c1ccc(OC)c(OC)c1 ZINC000929995060 798339089 /nfs/dbraw/zinc/33/90/89/798339089.db2.gz ACIJRKGPPFTPKA-HNNXBMFYSA-N 0 0 337.416 2.105 10 10 EECERN COCCN(Cc1ccnn1C)Cc1cc(Cl)cc(OC)c1O ZINC000787332649 807079666 /nfs/dbraw/zinc/07/96/66/807079666.db2.gz SYZRSKJAHLWCMO-UHFFFAOYSA-N 0 0 339.823 2.436 10 10 EECERN COCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCOC1 ZINC000787842305 807266663 /nfs/dbraw/zinc/26/66/63/807266663.db2.gz CRINJVBACMSRJO-INIZCTEOSA-N 0 0 343.427 2.367 10 10 EECERN CC1(c2cc(NC(=O)C(=O)NCc3ccccc3O)no2)CCCC1 ZINC000789433261 808010035 /nfs/dbraw/zinc/01/00/35/808010035.db2.gz MFMBOSSOZYBXNI-UHFFFAOYSA-N 0 0 343.383 2.467 10 10 EECERN COC(=O)c1ccc(CNC(=O)c2cccc(O)c2O)nc1C1CC1 ZINC000790922555 808976614 /nfs/dbraw/zinc/97/66/14/808976614.db2.gz QOXFDULVBLUWID-UHFFFAOYSA-N 0 0 342.351 2.087 10 10 EECERN O=C(NCC[C@H]1CCOC1)NCc1cc(Br)ccc1O ZINC000805279993 811212126 /nfs/dbraw/zinc/21/21/26/811212126.db2.gz VPYOWBMPADHQTR-JTQLQIEISA-N 0 0 343.221 2.381 10 10 EECERN Cc1cc(C)n(CCCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 ZINC001440342977 1093492203 /nfs/dbraw/zinc/49/22/03/1093492203.db2.gz SKMPPAZWDDIVDT-UHFFFAOYSA-N 0 0 328.376 2.482 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC001450629896 1094964082 /nfs/dbraw/zinc/96/40/82/1094964082.db2.gz QPZAWJVAZJMQIF-HIFRSBDPSA-N 0 0 340.339 2.073 10 10 EECERN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001448124723 1104058826 /nfs/dbraw/zinc/05/88/26/1104058826.db2.gz YFXMFHPFWSEGPT-GWCFXTLKSA-N 0 0 332.360 2.263 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCc1cccc(C(F)(F)F)n1 ZINC001450118318 1105221242 /nfs/dbraw/zinc/22/12/42/1105221242.db2.gz LUBLXLSCCLGOCB-UHFFFAOYSA-N 0 0 340.301 2.413 10 10 EECERN Cc1sc2ncc(C(=O)NCc3cc(C)ccc3O)c(=O)n2c1C ZINC001453653731 1106367223 /nfs/dbraw/zinc/36/72/23/1106367223.db2.gz XKFOFZMNIWLOQO-UHFFFAOYSA-N 0 0 343.408 2.317 10 10 EECERN COc1ccc2c(c1)OC[C@@H]2CC(=O)NCc1c(O)cccc1O ZINC001456237688 1109119205 /nfs/dbraw/zinc/11/92/05/1109119205.db2.gz VXYYLLLXGJJBEG-NSHDSACASA-N 0 0 329.352 2.289 10 10 EECERN Cc1cc(-c2nc(C(=O)NCCc3ccc(O)c(O)c3)co2)ccn1 ZINC001465981599 1110427616 /nfs/dbraw/zinc/42/76/16/1110427616.db2.gz QEONCIIDGKERLQ-UHFFFAOYSA-N 0 0 339.351 2.429 10 10 EECERN Cc1nc(-c2ccnc(NC(=O)c3ccc(C)c(O)c3O)c2)n[nH]1 ZINC001468761966 1110480180 /nfs/dbraw/zinc/48/01/80/1110480180.db2.gz YZJCNPHTCISWNX-UHFFFAOYSA-N 0 0 325.328 2.147 10 10 EECERN COc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1ccccc1O ZINC001471194876 1110518890 /nfs/dbraw/zinc/51/88/90/1110518890.db2.gz PYJHXIHXMZFWHF-LBPRGKRZSA-N 0 0 328.368 2.008 10 10 EECERN CC(=O)N/C(=C\c1cccs1)C(=O)NCc1c(O)cccc1F ZINC001471975876 1110537087 /nfs/dbraw/zinc/53/70/87/1110537087.db2.gz KXOKRCKVMNIBHC-ZSOIEALJSA-N 0 0 334.372 2.386 10 10 EECERN O=C(NCc1c(O)cccc1O)c1c(F)cccc1-n1cccn1 ZINC001472063395 1110540735 /nfs/dbraw/zinc/54/07/35/1110540735.db2.gz KBQNOUKTSHRGOF-UHFFFAOYSA-N 0 0 327.315 2.353 10 10 EECERN C[C@@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001503206870 1113880376 /nfs/dbraw/zinc/88/03/76/1113880376.db2.gz WNNKPHACSBYEAU-GXFFZTMASA-N 0 0 345.403 2.130 10 10 EECERN CCCCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001524877265 1120237150 /nfs/dbraw/zinc/23/71/50/1120237150.db2.gz XKOJXMJIFLVCEX-HDJSIYSDSA-N 0 0 345.403 2.416 10 10 EECERN C/C=C(\C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001525391785 1120311583 /nfs/dbraw/zinc/31/15/83/1120311583.db2.gz HIIGBXKTLPOWDE-CKWIKFHRSA-N 0 0 343.387 2.192 10 10 EECERN COc1ncc(/C=C/C(=O)N2CCOc3cc(F)c(F)cc32)cn1 ZINC001530517098 1121987453 /nfs/dbraw/zinc/98/74/53/1121987453.db2.gz OWFYXXJVZUNJLS-NSCUHMNNSA-N 0 0 333.294 2.202 10 10 EECERN COC1CCN(c2ccc(CN3CCN(C(C)=O)C[C@H]3C)cc2)CC1 ZINC000296682834 465230447 /nfs/dbraw/zinc/23/04/47/465230447.db2.gz BQYYVWNKUHAYCF-MRXNPFEDSA-N 0 0 345.487 2.354 10 10 EECERN NS(=O)(=O)c1cccnc1NCc1ccc(N2CCCCC2)cc1 ZINC000075611154 462739925 /nfs/dbraw/zinc/73/99/25/462739925.db2.gz KXOIJMIRXIMGFW-UHFFFAOYSA-N 0 0 346.456 2.331 10 10 EECERN COc1cccc(CNC(=O)N[C@H]2CCCc3nn(C)cc32)c1O ZINC000283066724 463752563 /nfs/dbraw/zinc/75/25/63/463752563.db2.gz XBJDUNQIGIAFMX-ZDUSSCGKSA-N 0 0 330.388 2.011 10 10 EECERN C[C@@H]1COCC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277506739 463918460 /nfs/dbraw/zinc/91/84/60/463918460.db2.gz ROHZSERBGXNTJI-BXKDBHETSA-N 0 0 343.221 2.379 10 10 EECERN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])C2)n(C)n1 ZINC000277656348 463924035 /nfs/dbraw/zinc/92/40/35/463924035.db2.gz GCDYPZBNNLZXHA-CQSZACIVSA-N 0 0 345.403 2.101 10 10 EECERN NC(=O)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000179870489 464202220 /nfs/dbraw/zinc/20/22/20/464202220.db2.gz SQNGQQBPEVXPFF-UHFFFAOYSA-N 0 0 339.399 2.102 10 10 EECERN COCCC(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293572081 464412346 /nfs/dbraw/zinc/41/23/46/464412346.db2.gz JBDIRWFIHQCXMX-UHFFFAOYSA-N 0 0 344.814 2.302 10 10 EECERN COc1ccc(CNC(=O)c2cc(C)n(C3CCOCC3)n2)c(O)c1 ZINC000529231132 467832603 /nfs/dbraw/zinc/83/26/03/467832603.db2.gz XAIFAUMQKACQKW-UHFFFAOYSA-N 0 0 345.399 2.187 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)OC[C@@H]3COCCO3)ccc21 ZINC000729099825 576598938 /nfs/dbraw/zinc/59/89/38/576598938.db2.gz JZYOCBLGHLIIIS-INIZCTEOSA-N 0 0 347.411 2.477 10 10 EECERN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000772319245 577264143 /nfs/dbraw/zinc/26/41/43/577264143.db2.gz OATOHKRRPOGOLG-BPQIPLTHSA-N 0 0 343.471 2.297 10 10 EECERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773008300 577310229 /nfs/dbraw/zinc/31/02/29/577310229.db2.gz NMUNGBSZLXYWDE-SWLSCSKDSA-N 0 0 335.473 2.241 10 10 EECERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000773761597 577363428 /nfs/dbraw/zinc/36/34/28/577363428.db2.gz IHJOMOADKFJPOR-NSHDSACASA-N 0 0 328.368 2.417 10 10 EECERN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](CO)c2ccsc2)cc1 ZINC000770689669 577601792 /nfs/dbraw/zinc/60/17/92/577601792.db2.gz QXQGGEPUKKRQJG-KRWDZBQOSA-N 0 0 347.484 2.096 10 10 EECERN O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000756121084 577838734 /nfs/dbraw/zinc/83/87/34/577838734.db2.gz GDGHNFKVOROKAV-NBEHIINDSA-N 0 0 336.351 2.135 10 10 EECERN O=S(=O)(CC1CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000748055024 577954243 /nfs/dbraw/zinc/95/42/43/577954243.db2.gz WDROIGIPZSERDL-UHFFFAOYSA-N 0 0 326.487 2.069 10 10 EECERN COC(=O)c1cncnc1NCc1cccc(Br)c1O ZINC000804654261 674584695 /nfs/dbraw/zinc/58/46/95/674584695.db2.gz MAJACTQVNIVGEP-UHFFFAOYSA-N 0 0 338.161 2.343 10 10 EECERN Nc1ccc(CC(=O)NCCc2csc(N3CCCC3)n2)cc1 ZINC000168955968 682740848 /nfs/dbraw/zinc/74/08/48/682740848.db2.gz UQBGUSKZANUXMM-UHFFFAOYSA-N 0 0 330.457 2.227 10 10 EECERN CC(=O)N1CCC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897621016 691702523 /nfs/dbraw/zinc/70/25/23/691702523.db2.gz PIKIOKBNCWMCKH-LLVKDONJSA-N 0 0 348.424 2.301 10 10 EECERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)c1cncn1C ZINC000898882727 693511375 /nfs/dbraw/zinc/51/13/75/693511375.db2.gz BHTYJVJTBSWFRA-CYBMUJFWSA-N 0 0 344.440 2.353 10 10 EECERN CC(C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)N1CCCC1 ZINC000899199618 693655971 /nfs/dbraw/zinc/65/59/71/693655971.db2.gz GABLPSZTMISGSR-UHFFFAOYSA-N 0 0 348.424 2.443 10 10 EECERN O=C(NCc1ccc(O)cc1O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC001142533215 1188238103 /nfs/dbraw/zinc/23/81/03/1188238103.db2.gz HJNMWAYIZRYZRS-UHFFFAOYSA-N 0 0 339.351 2.418 10 10 EECERN O=C(NCc1ncc(Br)s1)c1cccc(O)c1O ZINC000714707516 1188364059 /nfs/dbraw/zinc/36/40/59/1188364059.db2.gz UHTARUQHRAOWTF-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN CN(C)c1ccc(CNC(=O)CCc2nnc(C(F)F)o2)cc1F ZINC000865051942 1198064501 /nfs/dbraw/zinc/06/45/01/1198064501.db2.gz ZFKGTIZEVKACGU-UHFFFAOYSA-N 0 0 342.321 2.461 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)c1nc2cnccc2n1C ZINC000865418964 1198207364 /nfs/dbraw/zinc/20/73/64/1198207364.db2.gz QLMPMMFAQRAHBS-UHFFFAOYSA-N 0 0 337.427 2.441 10 10 EECERN Cc1nc(N)nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC000865452244 1198225962 /nfs/dbraw/zinc/22/59/62/1198225962.db2.gz FRLTYOALKDUVPD-GHMZBOCLSA-N 0 0 346.410 2.127 10 10 EECERN CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CS(N)(=O)=O ZINC000865813521 1198386849 /nfs/dbraw/zinc/38/68/49/1198386849.db2.gz WDWQPVUCQGZBAF-UHFFFAOYSA-N 0 0 341.260 2.103 10 10 EECERN COc1ccc(N2CCN(C(=O)c3nc([C@H]4C[C@H]4C)no3)CC2)cc1 ZINC000865892827 1198416850 /nfs/dbraw/zinc/41/68/50/1198416850.db2.gz LBJQNPHDKIZNAD-DOMZBBRYSA-N 0 0 342.399 2.164 10 10 EECERN C[C@H]([NH2+]C1COCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000813880861 1199202377 /nfs/dbraw/zinc/20/23/77/1199202377.db2.gz RKTDFORQOYQMBB-QMMMGPOBSA-N 0 0 334.185 2.360 10 10 EECERN CCN(CC(F)(F)F)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000869444340 1200085957 /nfs/dbraw/zinc/08/59/57/1200085957.db2.gz ZCKWGVRUJXNPSY-XQRVVYSFSA-N 0 0 347.289 2.065 10 10 EECERN CC(=O)C(=O)COC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000869792534 1200282958 /nfs/dbraw/zinc/28/29/58/1200282958.db2.gz NAXGWZLAOLLKMP-IUODEOHRSA-N 0 0 339.185 2.428 10 10 EECERN O=C([C@@H](C[C@H]1COCCO1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871205886 1201099534 /nfs/dbraw/zinc/09/95/34/1201099534.db2.gz MXNCPYIRARSROU-WCQYABFASA-N 0 0 345.317 2.218 10 10 EECERN COc1ccc(O)c(CNC(=O)c2cccn(C(C)(C)C)c2=O)c1 ZINC000866767291 1201601433 /nfs/dbraw/zinc/60/14/33/1201601433.db2.gz OUOTWGULEVGEII-UHFFFAOYSA-N 0 0 330.384 2.248 10 10 EECERN NC(=O)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCCC1 ZINC001137172548 1201802878 /nfs/dbraw/zinc/80/28/78/1201802878.db2.gz MKEGRLNVXAFKES-AWEZNQCLSA-N 0 0 345.403 2.403 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccnn3C)C2)cc1 ZINC000868763006 1201874476 /nfs/dbraw/zinc/87/44/76/1201874476.db2.gz YKLNNJLUZJNPTL-KBPBESRZSA-N 0 0 343.431 2.068 10 10 EECERN COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000889248691 1204595583 /nfs/dbraw/zinc/59/55/83/1204595583.db2.gz AFWWYFBIYCWJLF-YSVLISHTSA-N 0 0 347.459 2.100 10 10 EECERN COC(=O)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 ZINC000924673196 1206015308 /nfs/dbraw/zinc/01/53/08/1206015308.db2.gz WNYGOEBOQOIEKW-IUCKJTJTSA-N 0 0 333.384 2.349 10 10 EECERN O=C(NC[C@@H]1CCCN1CC(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000926529624 1206226053 /nfs/dbraw/zinc/22/60/53/1206226053.db2.gz HAXLSYMEZYJFFM-LBPRGKRZSA-N 0 0 343.349 2.444 10 10 EECERN Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC2(COC2)O1 ZINC000929973195 1206523665 /nfs/dbraw/zinc/52/36/65/1206523665.db2.gz XYRSXFJVHSVSJK-SJORKVTESA-N 0 0 333.428 2.321 10 10 EECERN C[N@@H+]1CC[C@@H]1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000931784365 1207462423 /nfs/dbraw/zinc/46/24/23/1207462423.db2.gz BQENUXHSIFQWNM-CYBMUJFWSA-N 0 0 336.399 2.222 10 10 EECERN CCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C(N)=O)c1 ZINC000779520595 1210405137 /nfs/dbraw/zinc/40/51/37/1210405137.db2.gz PKKUETVVOPDWRX-XBXARRHUSA-N 0 0 342.351 2.247 10 10 EECERN CN(C)c1ccc(/C=C/CN2CCN(c3nccn3C)CC2)cc1 ZINC000827884990 1248927745 /nfs/dbraw/zinc/92/77/45/1248927745.db2.gz NCXMGGVGAFJZNI-SNAWJCMRSA-N 0 0 325.460 2.322 10 10 EECERN O=C(/C=C/Cn1cncn1)NCc1ccc(N2CCCCC2)cc1 ZINC000900405374 1234321775 /nfs/dbraw/zinc/32/17/75/1234321775.db2.gz VYCUIHQDAOOANK-SNAWJCMRSA-N 0 0 325.416 2.141 10 10 EECERN C/C=C\[C@H](O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000900866815 1234927881 /nfs/dbraw/zinc/92/78/81/1234927881.db2.gz FKULLJKHZQQZQX-PHDHCRPCSA-N 0 0 340.370 2.310 10 10 EECERN CN(C)c1cnccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000801921680 1236435865 /nfs/dbraw/zinc/43/58/65/1236435865.db2.gz JJGWIFLWTCIAHD-UHFFFAOYSA-N 0 0 340.427 2.476 10 10 EECERN COC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])C1CCOCC1 ZINC000850494207 1277245872 /nfs/dbraw/zinc/24/58/72/1277245872.db2.gz OSYFVHOTEOTLAG-MLGOLLRUSA-N 0 0 337.416 2.271 10 10 EECERN COc1cc(N(C)C[C@@H](OC)[C@H]2CCOC2)cc(OC)c1OC ZINC000851784887 1291830895 /nfs/dbraw/zinc/83/08/95/1291830895.db2.gz WMAIRGBPIOPXFZ-BLLLJJGKSA-N 0 0 325.405 2.200 10 10 EECERN COc1ccc(N2CCN(CCO[C@H]3CC3(F)F)CC2)cc1F ZINC000851808090 1291852116 /nfs/dbraw/zinc/85/21/16/1291852116.db2.gz KXTWLMOWUFFGEZ-HNNXBMFYSA-N 0 0 330.350 2.381 10 10 EECERN COC[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852454991 1292118874 /nfs/dbraw/zinc/11/88/74/1292118874.db2.gz RQYGKXRVQONTNQ-ZBFHGGJFSA-N 0 0 333.432 2.094 10 10 EECERN Cc1cc(CC(=O)N2CCCS2(=O)=O)c(C)n1-c1ccccc1 ZINC000853096628 1292280044 /nfs/dbraw/zinc/28/00/44/1292280044.db2.gz IKUNEUDLOMKRHH-UHFFFAOYSA-N 0 0 332.425 2.199 10 10 EECERN COC(=O)/C=C\c1ccc(N(C)Cc2nnc(C)o2)c([N+](=O)[O-])c1 ZINC000853816663 1292468261 /nfs/dbraw/zinc/46/82/61/1292468261.db2.gz WZFQVJGRSLPKBV-ALCCZGGFSA-N 0 0 332.316 2.109 10 10 EECERN CC[C@@H]1[C@H](CO)CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296857 1292708384 /nfs/dbraw/zinc/70/83/84/1292708384.db2.gz HDAQQBLRBNODSV-RLFYNMQTSA-N 0 0 347.459 2.076 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H]3CCC[C@H]3O)C2)cc1 ZINC000854299817 1292711219 /nfs/dbraw/zinc/71/12/19/1292711219.db2.gz RUNSQPDEDCWTCH-RLFYNMQTSA-N 0 0 347.459 2.076 10 10 EECERN O=C(N[C@H](C1CCOCC1)C1(CO)CCC1)C1=CC(=O)CS1 ZINC000855121809 1293079291 /nfs/dbraw/zinc/07/92/91/1293079291.db2.gz ULMHZANMPLQTFI-CQSZACIVSA-N 0 0 325.430 2.141 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cn(C4CCC4)nn3)C2)cc1 ZINC000855225822 1293118455 /nfs/dbraw/zinc/11/84/55/1293118455.db2.gz QNDOPEWQNSLCPF-ZDUSSCGKSA-N 0 0 341.415 2.020 10 10 EECERN CO[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856209572 1293445709 /nfs/dbraw/zinc/44/57/09/1293445709.db2.gz SMMKRYJQWIUGIH-YJBOKZPZSA-N 0 0 332.444 2.079 10 10 EECERN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2cc(C)ccc2O)C1 ZINC000858368496 1294097510 /nfs/dbraw/zinc/09/75/10/1294097510.db2.gz BLFGVWCAMQJUDU-KGLIPLIRSA-N 0 0 349.431 2.367 10 10 EECERN C/C=C\CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000858530803 1294145897 /nfs/dbraw/zinc/14/58/97/1294145897.db2.gz PKFHCFQWNZGUJH-IHWYPQMZSA-N 0 0 325.359 2.177 10 10 EECERN Cc1cc(CN2CCO[C@@H](CC(N)=O)C2)ccc1N1CCCCC1 ZINC000860011210 1294751291 /nfs/dbraw/zinc/75/12/91/1294751291.db2.gz XZMFUMLHDCXECN-KRWDZBQOSA-N 0 0 331.460 2.062 10 10 EECERN COc1ccc(CNC(=O)Nc2cnc(OC)c(OC)c2)c(O)c1 ZINC000861412792 1295393188 /nfs/dbraw/zinc/39/31/88/1295393188.db2.gz AYSAWZVYXLCOGU-UHFFFAOYSA-N 0 0 333.344 2.135 10 10 EECERN COC(=O)N1CCC(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862024759 1295659196 /nfs/dbraw/zinc/65/91/96/1295659196.db2.gz GDTVGZDZKXIQAG-UHFFFAOYSA-N 0 0 343.383 2.035 10 10 EECERN COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1ccc(N(C)C)c(F)c1 ZINC000862516404 1295865302 /nfs/dbraw/zinc/86/53/02/1295865302.db2.gz QPLURXLWMLSLIS-GOEBONIOSA-N 0 0 338.423 2.340 10 10 EECERN Cc1ccc(O)c(CNC(=O)CNC(=O)c2ccc(C)c(C)c2)c1 ZINC000862761769 1295956004 /nfs/dbraw/zinc/95/60/04/1295956004.db2.gz WZHHMJOZYSYYFI-UHFFFAOYSA-N 0 0 326.396 2.364 10 10 EECERN CN(C)[C@H](CCNC(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000926810072 1296931020 /nfs/dbraw/zinc/93/10/20/1296931020.db2.gz ACQTVOIBJHADOS-CYBMUJFWSA-N 0 0 333.354 2.416 10 10 EECERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001119057092 1308982469 /nfs/dbraw/zinc/98/24/69/1308982469.db2.gz YLSBIGHBKLHWQH-HEHGZKQESA-N 0 0 344.411 2.490 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N2CCOc3ncccc3C2)cc1 ZINC001138073107 1314541605 /nfs/dbraw/zinc/54/16/05/1314541605.db2.gz ZEPDMHJOIDWTEV-UHFFFAOYSA-N 0 0 325.328 2.279 10 10 EECERN C[C@H](NC(=O)c1cccnc1OCCO)c1ccc(N(C)C)cc1 ZINC001138363294 1314605850 /nfs/dbraw/zinc/60/58/50/1314605850.db2.gz MBJNJINJGFCIAW-ZDUSSCGKSA-N 0 0 329.400 2.010 10 10 EECERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn(CC2CC2)nn1 ZINC000839921646 1315259891 /nfs/dbraw/zinc/25/98/91/1315259891.db2.gz HWPPLFJROZRQMI-AWEZNQCLSA-N 0 0 341.459 2.424 10 10 EECERN COc1ccc(N2CCN(CN3C[C@H]4CCC[C@H]4C3=O)CC2)cc1F ZINC000840027562 1315277354 /nfs/dbraw/zinc/27/73/54/1315277354.db2.gz ZJSPFVHZLZAQSV-GDBMZVCRSA-N 0 0 347.434 2.172 10 10 EECERN COc1ccc(O)c(CN[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 ZINC000843432434 1315914528 /nfs/dbraw/zinc/91/45/28/1315914528.db2.gz LQLHCGSIZKGOQP-MRXNPFEDSA-N 0 0 347.415 2.307 10 10 EECERN O=C(NCc1ccccc1O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001150536116 1316291794 /nfs/dbraw/zinc/29/17/94/1316291794.db2.gz KAYACIZNRJFWID-UHFFFAOYSA-N 0 0 332.743 2.307 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)Cc1cccc(Cl)c1 ZINC001154068934 1316948313 /nfs/dbraw/zinc/94/83/13/1316948313.db2.gz FWSJPNKCBGHHIB-KEDPEKRHSA-N 0 0 347.798 2.484 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](O)Cc1cccc(Cl)c1 ZINC001154068937 1316948444 /nfs/dbraw/zinc/94/84/44/1316948444.db2.gz FWSJPNKCBGHHIB-ZQMJAJRESA-N 0 0 347.798 2.484 10 10 EECERN CC(C)CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1=O ZINC001154959593 1317401993 /nfs/dbraw/zinc/40/19/93/1317401993.db2.gz YOZINNVLCHHJPZ-LBPRGKRZSA-N 0 0 345.403 2.178 10 10 EECERN COc1ccc(/C=C/C(=O)NCc2c(O)cccc2O)cc1OC ZINC001156885628 1318263439 /nfs/dbraw/zinc/26/34/39/1318263439.db2.gz LDFULTNAQKCDEA-VQHVLOKHSA-N 0 0 329.352 2.445 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001299572175 1319520765 /nfs/dbraw/zinc/52/07/65/1319520765.db2.gz DICLGJSRSRNZBZ-INIZCTEOSA-N 0 0 348.305 2.185 10 10 EECERN COc1cccc(CNC(=O)c2cnc3ccnn3c2C(F)F)c1O ZINC001160733285 1320252652 /nfs/dbraw/zinc/25/26/52/1320252652.db2.gz OWBYBVRKPGIAMP-UHFFFAOYSA-N 0 0 348.309 2.311 10 10 EECERN CC(C)n1ncc(C(=O)NCc2ccc3cccnc3c2O)c1N ZINC001162612893 1320912252 /nfs/dbraw/zinc/91/22/52/1320912252.db2.gz RQXGZPQMJZDDJG-UHFFFAOYSA-N 0 0 325.372 2.230 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NCCNc1ccc2ccccc2n1 ZINC001162990542 1321006580 /nfs/dbraw/zinc/00/65/80/1321006580.db2.gz XRZMRHQOGBVJNR-UHFFFAOYSA-N 0 0 337.379 2.417 10 10 EECERN CCOC(=O)[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC001294756667 1329137940 /nfs/dbraw/zinc/13/79/40/1329137940.db2.gz YMEDWPVEKQYALA-QGZVFWFLSA-N 0 0 348.443 2.179 10 10 EECERN Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(N2CCCC2)n1 ZINC001296222841 1329875706 /nfs/dbraw/zinc/87/57/06/1329875706.db2.gz NWXLQJRYIFEPTE-UHFFFAOYSA-N 0 0 341.411 2.260 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(CC(F)F)CC1 ZINC001296246456 1329877304 /nfs/dbraw/zinc/87/73/04/1329877304.db2.gz MQHYBAHUJHMZBR-LLVKDONJSA-N 0 0 342.386 2.122 10 10 EECERN Cc1c(NC(=O)c2ccc(C)c(O)c2O)nnn1Cc1ccncc1 ZINC001298437418 1330079614 /nfs/dbraw/zinc/07/96/14/1330079614.db2.gz FPBPAMJZLNNKFX-UHFFFAOYSA-N 0 0 339.355 2.002 10 10 EECERN C[C@H](C(=O)NCc1cc(O)ccc1O)n1ccc2ccccc2c1=O ZINC001303226108 1331350288 /nfs/dbraw/zinc/35/02/88/1331350288.db2.gz WWEOVRUIHFSHGY-GFCCVEGCSA-N 0 0 338.363 2.290 10 10 EECERN Cc1nnc(N2CCO[C@H](C)C2)n1Cc1ccc2c(c1)CCCN2C ZINC001304861997 1331401324 /nfs/dbraw/zinc/40/13/24/1331401324.db2.gz BEFJTUVZKZDMPX-CQSZACIVSA-N 0 0 341.459 2.242 10 10 EECERN CC(C)OCCN1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001324030167 1333591763 /nfs/dbraw/zinc/59/17/63/1333591763.db2.gz XHDZVXSBWXHAEK-UHFFFAOYSA-N 0 0 347.419 2.030 10 10 EECERN COc1cc([N+](=O)[O-])c(N2CC[C@H](Nc3ncccn3)C2)cc1OC ZINC001326748608 1334154045 /nfs/dbraw/zinc/15/40/45/1334154045.db2.gz FPJXXDBMLMPPLS-NSHDSACASA-N 0 0 345.359 2.093 10 10 EECERN O=C(Nc1ccnn1C[C@@H]1CCOC1)N1Cc2cccc(O)c2C1 ZINC001333150071 1335971162 /nfs/dbraw/zinc/97/11/62/1335971162.db2.gz CDVGZSOGMRJKEB-LBPRGKRZSA-N 0 0 328.372 2.173 10 10 EECERN CN(C)c1ccc(/C=C\C[NH2+]C[C@H](Cc2cnn(C)c2)C(=O)[O-])cc1 ZINC001333175558 1335976656 /nfs/dbraw/zinc/97/66/56/1335976656.db2.gz IFZXWPOPKMXXNV-CHYADLBTSA-N 0 0 342.443 2.032 10 10 EECERN C[C@H](NC(=O)C(=O)NC[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC001334120921 1336208313 /nfs/dbraw/zinc/20/83/13/1336208313.db2.gz HXJMCNPYWUYEKJ-ZBEGNZNMSA-N 0 0 339.386 2.091 10 10 EECERN Cc1nc2ccnn2cc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001357193439 1338970351 /nfs/dbraw/zinc/97/03/51/1338970351.db2.gz VJZPXZIMEHAAIG-UHFFFAOYSA-N 0 0 327.363 2.173 10 10 EECERN C[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccccn1 ZINC000849357337 1339154383 /nfs/dbraw/zinc/15/43/83/1339154383.db2.gz LSSDQBWEXUBRDF-CYBMUJFWSA-N 0 0 325.368 2.355 10 10 EECERN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c2c(=O)[nH]n(C)c2n1 ZINC001557385466 1342447820 /nfs/dbraw/zinc/44/78/20/1342447820.db2.gz FDKWGPPMLMXFGR-UHFFFAOYSA-N 0 0 346.774 2.271 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccnc(OC)c2)c1 ZINC001565178053 1342552947 /nfs/dbraw/zinc/55/29/47/1342552947.db2.gz XBHVFQUWFQSPHW-LBPRGKRZSA-N 0 0 345.399 2.407 10 10 EECERN NC(=O)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1Cl ZINC001621282561 1352365765 /nfs/dbraw/zinc/36/57/65/1352365765.db2.gz QHIDUQBIGIFFJE-GFCCVEGCSA-N 0 0 334.759 2.098 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-c2ccn(C)n2)on1 ZINC001623580084 1352400219 /nfs/dbraw/zinc/40/02/19/1352400219.db2.gz GERYIQNUIKNAGG-UHFFFAOYSA-N 0 0 347.371 2.196 10 10 EECERN CN(C)c1ccc(CN(C(=O)C2=CS(=O)(=O)CCC2)C2CC2)cc1 ZINC001624262370 1352417972 /nfs/dbraw/zinc/41/79/72/1352417972.db2.gz QCURNYIVXZGSIS-UHFFFAOYSA-N 0 0 348.468 2.336 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001624955416 1352435790 /nfs/dbraw/zinc/43/57/90/1352435790.db2.gz ZCHSSWLDAUOFTI-NSHDSACASA-N 0 0 338.367 2.244 10 10 EECERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001624955415 1352435859 /nfs/dbraw/zinc/43/58/59/1352435859.db2.gz ZCHSSWLDAUOFTI-LLVKDONJSA-N 0 0 338.367 2.244 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC001625097802 1352440318 /nfs/dbraw/zinc/44/03/18/1352440318.db2.gz VPRHISXYDJLAKJ-HNAYVOBHSA-N 0 0 345.370 2.062 10 10 EECERN Cc1ccc(C2=NO[C@@H](CNC(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001635003729 1352637935 /nfs/dbraw/zinc/63/79/35/1352637935.db2.gz NSSGDNHQCRROJE-OAHLLOKOSA-N 0 0 340.379 2.258 10 10 EECERN Cc1cc(C)c(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(=O)[nH]1 ZINC001638347504 1352687688 /nfs/dbraw/zinc/68/76/88/1352687688.db2.gz HLKGSTBZCVQCRE-GFCCVEGCSA-N 0 0 330.384 2.105 10 10 EECERN CNc1ccc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)nc1 ZINC001639683730 1352700569 /nfs/dbraw/zinc/70/05/69/1352700569.db2.gz RFRMMKJLJSTSAP-CQSZACIVSA-N 0 0 340.427 2.388 10 10 EECERN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1cc(O)ccc1O ZINC001644752436 1352767900 /nfs/dbraw/zinc/76/79/00/1352767900.db2.gz FNFHKMZSEGMELD-LBPRGKRZSA-N 0 0 338.363 2.229 10 10 EECERN O=C(NCCc1ccn(-c2ccccc2)n1)c1c(F)ccc(O)c1O ZINC001650761328 1354029090 /nfs/dbraw/zinc/02/90/90/1354029090.db2.gz FPLXMYNQXUGMMT-UHFFFAOYSA-N 0 0 341.342 2.395 10 10 EECERN CC(=O)N1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)c2ccccc21 ZINC001650885834 1354032264 /nfs/dbraw/zinc/03/22/64/1354032264.db2.gz GLOMACMIBCWJKA-CYBMUJFWSA-N 0 0 344.342 2.465 10 10 EECERN O=C(NCc1cccc(O)c1O)c1ccnc2[nH]c(CC3CC3)nc21 ZINC001651175880 1354042266 /nfs/dbraw/zinc/04/22/66/1354042266.db2.gz RKGXFZWKCQUDOB-UHFFFAOYSA-N 0 0 338.367 2.252 10 10 EECERN O=S1(=O)N=C(Cl)c2ccc(NCc3c(O)cccc3O)cc21 ZINC001651450423 1354053291 /nfs/dbraw/zinc/05/32/91/1354053291.db2.gz BWCQVQJEFHLPNX-UHFFFAOYSA-N 0 0 338.772 2.398 10 10 EECERN COCCOCc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001652625884 1354097341 /nfs/dbraw/zinc/09/73/41/1354097341.db2.gz MWCVLEKOSSALDK-UHFFFAOYSA-N 0 0 331.368 2.191 10 10 EECERN COC(=O)c1cnc(C(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001652708296 1354099568 /nfs/dbraw/zinc/09/95/68/1354099568.db2.gz ADPVMGBEHAZRAB-UHFFFAOYSA-N 0 0 337.335 2.052 10 10 EECERN Cc1cc(CN[C@H](C)CNC(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001662429449 1354795690 /nfs/dbraw/zinc/79/56/90/1354795690.db2.gz KIKFMHZTGPOIFU-SNVBAGLBSA-N 0 0 344.375 2.054 10 10 EECERN C[Si](C)(CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC001672643473 1356562099 /nfs/dbraw/zinc/56/20/99/1356562099.db2.gz KQDDZMYLCZMRKT-UHFFFAOYSA-N 0 0 332.451 2.485 10 10 EECERN Cc1csc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000184221019 782746574 /nfs/dbraw/zinc/74/65/74/782746574.db2.gz ZIQQKEWXROHPFL-CYBMUJFWSA-N 0 0 332.473 2.485 10 10 EECERN Cc1cccc(S(=O)(=O)CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000919190580 769664136 /nfs/dbraw/zinc/66/41/36/769664136.db2.gz ADHFFPWGJZMCBE-UHFFFAOYSA-N 0 0 346.452 2.151 10 10 EECERN Cc1nn(C)c(C)c1CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181312966 776107245 /nfs/dbraw/zinc/10/72/45/776107245.db2.gz HAEZXCPNMYDQOU-VQHVLOKHSA-N 0 0 329.400 2.210 10 10 EECERN COc1cccc(CNC(=O)c2cnc(-c3cnn(C)c3)s2)c1O ZINC000069968836 778263725 /nfs/dbraw/zinc/26/37/25/778263725.db2.gz VNNBRKJOQBCJHA-UHFFFAOYSA-N 0 0 344.396 2.188 10 10 EECERN Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c(O)c1O ZINC000924276498 780092356 /nfs/dbraw/zinc/09/23/56/780092356.db2.gz XXAZMUDGSFSKOB-OVSNFEJUSA-N 0 0 335.400 2.109 10 10 EECERN COC(=O)CN(C(=O)/C=C\c1cccnc1C)c1cccc(C)n1 ZINC001126384246 780939478 /nfs/dbraw/zinc/93/94/78/780939478.db2.gz SGRFWBFSSXLKRN-KTKRTIGZSA-N 0 0 325.368 2.313 10 10 EECERN CCOC(=O)CN(C(=O)/C=C(/C)c1cnccn1)c1ccc(F)cn1 ZINC001126396391 781068821 /nfs/dbraw/zinc/06/88/21/781068821.db2.gz YTRMRFZLOGJCEC-WQLSENKSSA-N 0 0 344.346 2.010 10 10 EECERN COC1CCC(CN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819167996 785441968 /nfs/dbraw/zinc/44/19/68/785441968.db2.gz KKWDQDGIQVJQKZ-UHFFFAOYSA-N 0 0 332.400 2.362 10 10 EECERN CCNC(=O)CN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000822693502 787342636 /nfs/dbraw/zinc/34/26/36/787342636.db2.gz WWXSFKZTJYZRSV-UHFFFAOYSA-N 0 0 327.428 2.231 10 10 EECERN CCOC[C@H](C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823486426 787774995 /nfs/dbraw/zinc/77/49/95/787774995.db2.gz CLGJJJVTHYBZLU-LSDHHAIUSA-N 0 0 335.448 2.246 10 10 EECERN CCOC(=O)CN(Cc1ncnn1C(C)C)Cc1ccccc1O ZINC000823576487 787803204 /nfs/dbraw/zinc/80/32/04/787803204.db2.gz PRVYKVCCMGOKLA-UHFFFAOYSA-N 0 0 332.404 2.130 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N3CCC(=O)[C@@H](C)C3)C2)cc1 ZINC000922950259 788425568 /nfs/dbraw/zinc/42/55/68/788425568.db2.gz GRZHKWHUKZLLLT-LSDHHAIUSA-N 0 0 345.443 2.142 10 10 EECERN Cc1nn(C)c(N2CCC2)c1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000913248583 788727448 /nfs/dbraw/zinc/72/74/48/788727448.db2.gz ANMHKKDJUSTOID-ALCCZGGFSA-N 0 0 328.372 2.002 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CC=CCC2)cc1 ZINC000785433294 788780040 /nfs/dbraw/zinc/78/00/40/788780040.db2.gz MDEJDJQWLTWBKF-MRXNPFEDSA-N 0 0 329.444 2.184 10 10 EECERN CCc1ccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)cc1F ZINC000164090011 789077603 /nfs/dbraw/zinc/07/76/03/789077603.db2.gz ZIAIHQSUUVEJAW-UHFFFAOYSA-N 0 0 346.358 2.357 10 10 EECERN CO[C@@]1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CCSC1 ZINC000915390428 795961303 /nfs/dbraw/zinc/96/13/03/795961303.db2.gz MLFOZNAURDTRCG-GOSISDBHSA-N 0 0 349.500 2.390 10 10 EECERN C[C@@H](NC(=O)c1cccc(-n2cncn2)n1)c1ccc(N(C)C)cc1 ZINC001128247898 798512702 /nfs/dbraw/zinc/51/27/02/798512702.db2.gz VXECJJMEAHOSOM-CYBMUJFWSA-N 0 0 336.399 2.219 10 10 EECERN COc1cc(CCC(=O)NCc2c(O)cccc2O)cc(OC)c1 ZINC001178905958 799693961 /nfs/dbraw/zinc/69/39/61/799693961.db2.gz UBGGIQATENOEDN-UHFFFAOYSA-N 0 0 331.368 2.364 10 10 EECERN O=C(NCc1cc(OCC(F)F)ccn1)c1c(F)ccc(O)c1O ZINC001183094293 801470760 /nfs/dbraw/zinc/47/07/60/801470760.db2.gz YKPDKFYPRMTKDN-UHFFFAOYSA-N 0 0 342.273 2.206 10 10 EECERN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000790415810 808677939 /nfs/dbraw/zinc/67/79/39/808677939.db2.gz NNAAGNHPYNYZNH-UHFFFAOYSA-N 0 0 349.408 2.471 10 10 EECERN O=C(NCc1cc(Br)ccc1O)NOCC(F)F ZINC000805404611 811252364 /nfs/dbraw/zinc/25/23/64/811252364.db2.gz YMCCZCPMCOMKEM-UHFFFAOYSA-N 0 0 325.109 2.151 10 10 EECERN CC(=O)C(=O)COC(=O)c1ccccc1COc1cccc(C=O)c1 ZINC000808516650 812687152 /nfs/dbraw/zinc/68/71/52/812687152.db2.gz NKBFINVCZKYCDS-UHFFFAOYSA-N 0 0 340.331 2.393 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1 ZINC001437385528 1089636067 /nfs/dbraw/zinc/63/60/67/1089636067.db2.gz YXAZFDCXYDGVAH-JCGIZDLHSA-N 0 0 332.444 2.405 10 10 EECERN Cn1cc(-c2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2)cn1 ZINC001445940393 1091874768 /nfs/dbraw/zinc/87/47/68/1091874768.db2.gz TXAXFAWSAYQGKN-UHFFFAOYSA-N 0 0 337.379 2.471 10 10 EECERN Cc1[nH]c(=O)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001440672019 1093935927 /nfs/dbraw/zinc/93/59/27/1093935927.db2.gz GLTJCBJWVGVTTA-UHFFFAOYSA-N 0 0 341.411 2.204 10 10 EECERN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1nnc2ccccn21 ZINC001441024957 1094313083 /nfs/dbraw/zinc/31/30/83/1094313083.db2.gz PFNMJRPZSNBDOZ-SNVBAGLBSA-N 0 0 337.343 2.383 10 10 EECERN Cc1cc(C(=O)N[C@H](CO)c2cccnc2)c(C)n1-c1ccccn1 ZINC001451761141 1097905329 /nfs/dbraw/zinc/90/53/29/1097905329.db2.gz QVEIOJKBLUUCFA-QGZVFWFLSA-N 0 0 336.395 2.348 10 10 EECERN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2nccn2c1 ZINC001447563403 1102869296 /nfs/dbraw/zinc/86/92/96/1102869296.db2.gz ODACFBXCQZXJKI-GFCCVEGCSA-N 0 0 325.368 2.415 10 10 EECERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001452898658 1105773304 /nfs/dbraw/zinc/77/33/04/1105773304.db2.gz AFDYCCYDAADFBW-OLZOCXBDSA-N 0 0 335.400 2.267 10 10 EECERN CCCC(=O)NC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001493453655 1108182066 /nfs/dbraw/zinc/18/20/66/1108182066.db2.gz BMPDQJAFSMQFKJ-AWEZNQCLSA-N 0 0 345.403 2.274 10 10 EECERN O=C(NCc1cccc(O)c1O)c1csc(Br)n1 ZINC001455314445 1108421604 /nfs/dbraw/zinc/42/16/04/1108421604.db2.gz GKJIPNMRJQWRMP-UHFFFAOYSA-N 0 0 329.175 2.247 10 10 EECERN CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2cc(O)ccc2O)cn1 ZINC001455357783 1108474502 /nfs/dbraw/zinc/47/45/02/1108474502.db2.gz VERJUYVZBUARKM-UHFFFAOYSA-N 0 0 343.383 2.407 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001456030046 1109057686 /nfs/dbraw/zinc/05/76/86/1109057686.db2.gz PWPSGLZUJLPTDV-KPZWWZAWSA-N 0 0 326.327 2.058 10 10 EECERN COCCOC[C@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC001458232037 1109847030 /nfs/dbraw/zinc/84/70/30/1109847030.db2.gz SRPKXTLCAHWENO-LBPRGKRZSA-N 0 0 340.376 2.101 10 10 EECERN Nc1nc(Cl)c(N)c(N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC001458261509 1109850471 /nfs/dbraw/zinc/85/04/71/1109850471.db2.gz LTFYVMPQKZCYKH-LLVKDONJSA-N 0 0 349.822 2.186 10 10 EECERN CN1CCCc2cc(CNC(=O)/C=C/[C@H]3COC(C)(C)O3)ccc21 ZINC001464517339 1110396253 /nfs/dbraw/zinc/39/62/53/1110396253.db2.gz BDIILAVSGJGRDO-DYLHUKMJSA-N 0 0 330.428 2.393 10 10 EECERN C[C@H](NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)c1ccccc1O ZINC001471197819 1110519009 /nfs/dbraw/zinc/51/90/09/1110519009.db2.gz BFODTGAQUNJYNN-DVBBHNHCSA-N 0 0 335.381 2.279 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001471662200 1110527651 /nfs/dbraw/zinc/52/76/51/1110527651.db2.gz SQIUTHJEOGABFA-UHFFFAOYSA-N 0 0 345.305 2.492 10 10 EECERN O=C(NCc1c(O)cccc1F)c1ccc(Cc2nnc[nH]2)cc1 ZINC001471975857 1110537089 /nfs/dbraw/zinc/53/70/89/1110537089.db2.gz KHDUDSHSTOFPPX-UHFFFAOYSA-N 0 0 326.331 2.170 10 10 EECERN O=C(CNC(=O)Cc1ccccc1)NCc1cccc(Cl)c1O ZINC001472316529 1110551589 /nfs/dbraw/zinc/55/15/89/1110551589.db2.gz VFONCVDLIYDUAM-UHFFFAOYSA-N 0 0 332.787 2.021 10 10 EECERN Cc1cc(NCc2cccc(Cl)c2O)nc(S(C)(=O)=O)n1 ZINC001472898784 1110565582 /nfs/dbraw/zinc/56/55/82/1110565582.db2.gz GRXJSIGUYMPDIS-UHFFFAOYSA-N 0 0 327.793 2.160 10 10 EECERN COc1ccc(CNC(=O)NC[Si](C)(C)c2ccccc2)c(O)c1 ZINC001478623979 1110655951 /nfs/dbraw/zinc/65/59/51/1110655951.db2.gz IABDAIAVJBPRLX-UHFFFAOYSA-N 0 0 344.487 2.355 10 10 EECERN CNC(=O)CCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001503814918 1113908041 /nfs/dbraw/zinc/90/80/41/1113908041.db2.gz HGMFZYSTZZUKLE-UHFFFAOYSA-N 0 0 343.431 2.024 10 10 EECERN CCOC(=O)C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1 ZINC001541109009 1124099386 /nfs/dbraw/zinc/09/93/86/1124099386.db2.gz CAVWVKQHDSUIMG-VQHVLOKHSA-N 0 0 333.384 2.493 10 10 EECERN O=C1COc2cc([N+](=O)[O-])c(N3CCC(c4cn[nH]c4)CC3)cc2N1 ZINC000371209790 284829727 /nfs/dbraw/zinc/82/97/27/284829727.db2.gz OBHQTDPAADMXDW-UHFFFAOYSA-N 0 0 343.343 2.033 10 10 EECERN O=C(NCc1ccccc1O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000269145024 463890010 /nfs/dbraw/zinc/89/00/10/463890010.db2.gz NPTODADDZQOERO-CQSZACIVSA-N 0 0 334.441 2.100 10 10 EECERN CN(C)c1ccc(CN(c2nc3c(cnn3C)c(N)n2)C2CC2)cc1 ZINC000278502739 463967653 /nfs/dbraw/zinc/96/76/53/463967653.db2.gz XKPCWORIRYATGB-UHFFFAOYSA-N 0 0 337.431 2.181 10 10 EECERN COc1cccc(N2CC[C@@H](CNC(=O)c3cccc(O)c3O)C2)c1 ZINC000187065460 464094829 /nfs/dbraw/zinc/09/48/29/464094829.db2.gz DDERJEVHLPDLGA-ZDUSSCGKSA-N 0 0 342.395 2.363 10 10 EECERN COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000269924476 464129740 /nfs/dbraw/zinc/12/97/40/464129740.db2.gz BQCTZPLQAUEHHV-YIBPYUTOSA-N 0 0 334.372 2.378 10 10 EECERN C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000294638745 464561129 /nfs/dbraw/zinc/56/11/29/464561129.db2.gz KDZJXFHNNYWWAN-AAEUAGOBSA-N 0 0 328.815 2.480 10 10 EECERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272434216 464607118 /nfs/dbraw/zinc/60/71/18/464607118.db2.gz LTGQVVMCLCFYHP-DUIMAYQASA-N 0 0 345.395 2.444 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC1CC1 ZINC000298239858 465341203 /nfs/dbraw/zinc/34/12/03/465341203.db2.gz JXMGYECIEOEQQU-UHFFFAOYSA-N 0 0 331.460 2.358 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000366810000 465947470 /nfs/dbraw/zinc/94/74/70/465947470.db2.gz XFESGGYAOKIPMU-AWEZNQCLSA-N 0 0 343.431 2.401 10 10 EECERN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373749073 466909322 /nfs/dbraw/zinc/90/93/22/466909322.db2.gz XACIZGWNCHECHU-HDQDXWIISA-N 0 0 347.411 2.296 10 10 EECERN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)n1[C@@H]1CCOC1 ZINC000528857788 467767840 /nfs/dbraw/zinc/76/78/40/467767840.db2.gz OWCLIRVIFIPFNE-OAHLLOKOSA-N 0 0 344.411 2.450 10 10 EECERN COc1cccc(CNC(=O)NC[C@@H]2COc3ccccc3O2)c1O ZINC000727839592 576453313 /nfs/dbraw/zinc/45/33/13/576453313.db2.gz IKUDHLCNSDGOFX-CYBMUJFWSA-N 0 0 344.367 2.040 10 10 EECERN CNC(=O)CC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000776284110 577456876 /nfs/dbraw/zinc/45/68/76/577456876.db2.gz SUFYUBOTNKFWPK-UHFFFAOYSA-N 0 0 346.358 2.095 10 10 EECERN C[C@H]1COCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000767928826 577547459 /nfs/dbraw/zinc/54/74/59/577547459.db2.gz DKFLUKCOJHDAKA-HNAYVOBHSA-N 0 0 346.471 2.184 10 10 EECERN CC=CC[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000761091869 577676400 /nfs/dbraw/zinc/67/64/00/577676400.db2.gz PCNKLVJXLOGHIN-XYBNCVKDSA-N 0 0 347.390 2.049 10 10 EECERN COc1cc(Cl)cc(CN2CCN3C(=O)OCC[C@@H]3C2)c1O ZINC000761207045 577679087 /nfs/dbraw/zinc/67/90/87/577679087.db2.gz XFALXJLXLPTUTJ-GFCCVEGCSA-N 0 0 326.780 2.081 10 10 EECERN O=C1N[C@@H](Cc2ccccn2)C(=O)N1CCCSc1nccs1 ZINC000761296301 577681303 /nfs/dbraw/zinc/68/13/03/577681303.db2.gz GFLBYDXJIMKYNK-LBPRGKRZSA-N 0 0 348.453 2.183 10 10 EECERN CC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H](C)C1 ZINC000763684533 577724540 /nfs/dbraw/zinc/72/45/40/577724540.db2.gz QJEFQXSJSAVPGG-CQSZACIVSA-N 0 0 340.427 2.182 10 10 EECERN COCc1cnc(CN(C)c2ccc(OCC(=O)OC)cc2)s1 ZINC000753592136 577790473 /nfs/dbraw/zinc/79/04/73/577790473.db2.gz QWWWRURTKMWIRH-UHFFFAOYSA-N 0 0 336.413 2.478 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1CCC(=O)CC1 ZINC000746134484 577922957 /nfs/dbraw/zinc/92/29/57/577922957.db2.gz PZEFGOGVCUNCDR-UHFFFAOYSA-N 0 0 334.391 2.038 10 10 EECERN C[C@H](NC(=O)C1CCC(=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000746169277 577923518 /nfs/dbraw/zinc/92/35/18/577923518.db2.gz XQDNMFPMDNNESV-AWEZNQCLSA-N 0 0 330.428 2.460 10 10 EECERN C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)O ZINC000738969185 578033119 /nfs/dbraw/zinc/03/31/19/578033119.db2.gz BZEIOZMTZUCCPG-CYBMUJFWSA-N 0 0 337.489 2.198 10 10 EECERN COCCN(CCO)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000178716198 681340979 /nfs/dbraw/zinc/34/09/79/681340979.db2.gz JJLKREYYYAVEQW-UHFFFAOYSA-N 0 0 348.418 2.357 10 10 EECERN COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(C)cc(OC)c1O ZINC000895403318 684594144 /nfs/dbraw/zinc/59/41/44/684594144.db2.gz SMSHIDIZQPKZSX-UKRRQHHQSA-N 0 0 337.416 2.157 10 10 EECERN CCC(=O)N1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895810126 684727761 /nfs/dbraw/zinc/72/77/61/684727761.db2.gz YOPNVUHBRVXCPO-UHFFFAOYSA-N 0 0 348.424 2.397 10 10 EECERN CC(C)N1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000896112781 684839220 /nfs/dbraw/zinc/83/92/20/684839220.db2.gz YEURCHVDELUTEB-SNVBAGLBSA-N 0 0 334.397 2.052 10 10 EECERN CCOCn1nc(C)c(CC(=O)NCc2c(O)cccc2F)c1C ZINC000928705661 687120895 /nfs/dbraw/zinc/12/08/95/687120895.db2.gz KQYFCHCVVXMZQV-UHFFFAOYSA-N 0 0 335.379 2.198 10 10 EECERN COC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)O1 ZINC000897507415 690774918 /nfs/dbraw/zinc/77/49/18/690774918.db2.gz UFCKOKLFXQWEJV-MWLCHTKSSA-N 0 0 337.397 2.188 10 10 EECERN CN1C(=O)C(=Cc2cccc(OCC(F)(F)F)c2)C(=O)N(C)C1=O ZINC000128003522 693105487 /nfs/dbraw/zinc/10/54/87/693105487.db2.gz QRUDQVBLIRSEFU-UHFFFAOYSA-N 0 0 342.273 2.062 10 10 EECERN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](C[C@@H]2CCCO2)C1=O ZINC000924670951 693128605 /nfs/dbraw/zinc/12/86/05/693128605.db2.gz JEIKZSIHUQOQRE-JKSUJKDBSA-N 0 0 331.416 2.051 10 10 EECERN COC[C@]1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000899153186 693635143 /nfs/dbraw/zinc/63/51/43/693635143.db2.gz AQHFMCTYLSRLNZ-INIZCTEOSA-N 0 0 337.397 2.190 10 10 EECERN C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1O ZINC001648891584 1176755280 /nfs/dbraw/zinc/75/52/80/1176755280.db2.gz CEOGUJGPADERSX-AWEZNQCLSA-N 0 0 349.390 2.488 10 10 EECERN Cc1nocc1CN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267233856 1178562609 /nfs/dbraw/zinc/56/26/09/1178562609.db2.gz ULQUNHMHFQWTEH-UHFFFAOYSA-N 0 0 344.375 2.007 10 10 EECERN O=C(NCc1ccc(O)cc1O)[C@@H](O)c1ccccc1C(F)(F)F ZINC001142533630 1188237639 /nfs/dbraw/zinc/23/76/39/1188237639.db2.gz OHVKRAOZXUNGDN-AWEZNQCLSA-N 0 0 341.285 2.466 10 10 EECERN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000905457480 1189735354 /nfs/dbraw/zinc/73/53/54/1189735354.db2.gz XDWWIBGYKBBHTQ-FHLIZLRMSA-N 0 0 332.444 2.153 10 10 EECERN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000905456088 1189735729 /nfs/dbraw/zinc/73/57/29/1189735729.db2.gz FUYLJEMYBBJELV-YJBOKZPZSA-N 0 0 332.444 2.297 10 10 EECERN COc1ccc(N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)cc1F ZINC000863894594 1197909596 /nfs/dbraw/zinc/90/95/96/1197909596.db2.gz JZOYBNLJWGFIFR-CYBMUJFWSA-N 0 0 344.390 2.077 10 10 EECERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](Cc2cncs2)C1=O ZINC000871897511 1197959494 /nfs/dbraw/zinc/95/94/94/1197959494.db2.gz JKTBRGMLXNJXLM-IAQYHMDHSA-N 0 0 344.440 2.433 10 10 EECERN Cn1cnc2cncc(C(=O)NCc3ccc(N4CCCC4)cc3)c21 ZINC000864861742 1197971177 /nfs/dbraw/zinc/97/11/77/1197971177.db2.gz FEFNZOULHCMKTH-UHFFFAOYSA-N 0 0 335.411 2.499 10 10 EECERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc(O)c(O)c1 ZINC000813489274 1199054774 /nfs/dbraw/zinc/05/47/74/1199054774.db2.gz UOGJSMNZDWHPSA-UHFFFAOYSA-N 0 0 338.266 2.143 10 10 EECERN Cc1cc(C(=O)NC[C@@H](O)[C@H](C)O)c(C)n1-c1cccc(Cl)c1 ZINC000871129323 1201063949 /nfs/dbraw/zinc/06/39/49/1201063949.db2.gz PTVPXLAQJCIHTO-BLLLJJGKSA-N 0 0 336.819 2.219 10 10 EECERN Nc1ccc(NC(=O)C(=O)N2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000868300694 1201787032 /nfs/dbraw/zinc/78/70/32/1201787032.db2.gz NAPSUJYUOAVBSL-INIZCTEOSA-N 0 0 331.416 2.158 10 10 EECERN CCO[C@@H](C(=O)NCc1ccc2cccnc2c1O)C1CCOCC1 ZINC000868938469 1201909093 /nfs/dbraw/zinc/90/90/93/1201909093.db2.gz UAJMRISYDMHIMW-GOSISDBHSA-N 0 0 344.411 2.388 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(N2CCCC2)nc1 ZINC000222214802 1204246408 /nfs/dbraw/zinc/24/64/08/1204246408.db2.gz UYQBSDCFVOWSLB-YVMONPNESA-N 0 0 339.395 2.423 10 10 EECERN COc1ccc(N2CCC(NC(=O)c3ccc(C=O)cn3)CC2)cc1 ZINC000931575911 1207417345 /nfs/dbraw/zinc/41/73/45/1207417345.db2.gz GWXONXQWMZFPTO-UHFFFAOYSA-N 0 0 339.395 2.302 10 10 EECERN O=C(NCc1ccc(O)c(O)c1)c1cc(N2CCCC2=O)ccc1F ZINC000159029312 1208426806 /nfs/dbraw/zinc/42/68/06/1208426806.db2.gz MVJKQKDYSQWCBB-UHFFFAOYSA-N 0 0 344.342 2.294 10 10 EECERN COC(=O)[C@H](NCc1ccccc1O)c1ccc(OC)cc1OC ZINC000779179242 1209198998 /nfs/dbraw/zinc/19/89/98/1209198998.db2.gz CATVKYVYIMQZLF-QGZVFWFLSA-N 0 0 331.368 2.413 10 10 EECERN Cc1cc(Br)c(O)c(CN2CC(=O)N(C)[C@H](C)C2)c1 ZINC000800538645 1234283348 /nfs/dbraw/zinc/28/33/48/1234283348.db2.gz WYGYVPKGRRXSEA-SNVBAGLBSA-N 0 0 327.222 2.126 10 10 EECERN COc1ccccc1[C@H](O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000900434741 1234352668 /nfs/dbraw/zinc/35/26/68/1234352668.db2.gz PYRGHXUUIXTUIQ-KRWDZBQOSA-N 0 0 332.375 2.250 10 10 EECERN CCN(CC)c1ccc(CNC(=O)/C=C/Cn2cncn2)cc1F ZINC000900638139 1234594648 /nfs/dbraw/zinc/59/46/48/1234594648.db2.gz TZJBQMCNTVLBCL-AATRIKPKSA-N 0 0 331.395 2.136 10 10 EECERN O=C(NCCCSc1nccs1)c1ccc2[nH]c(CO)nc2c1 ZINC000900684140 1234655235 /nfs/dbraw/zinc/65/52/35/1234655235.db2.gz YIHYJLGIDHMSCM-UHFFFAOYSA-N 0 0 348.453 2.424 10 10 EECERN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccnc(OC(F)F)c1 ZINC000803669157 1241239929 /nfs/dbraw/zinc/23/99/29/1241239929.db2.gz IGKKUCOJQDGTNC-DUXPYHPUSA-N 0 0 336.294 2.424 10 10 EECERN COc1ccc(C(=O)N(C)Cc2ccccc2O)cc1S(C)(=O)=O ZINC001137345650 1250257051 /nfs/dbraw/zinc/25/70/51/1250257051.db2.gz QUZQOZYWWMKRNH-UHFFFAOYSA-N 0 0 349.408 2.077 10 10 EECERN Fc1cc(CNCc2cc3n(n2)CCC3)cc(F)c1N1CCOCC1 ZINC000850322803 1277173280 /nfs/dbraw/zinc/17/32/80/1277173280.db2.gz IMGVBDRCWJUSQE-UHFFFAOYSA-N 0 0 348.397 2.234 10 10 EECERN C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)O1 ZINC000852004628 1291950062 /nfs/dbraw/zinc/95/00/62/1291950062.db2.gz ITNWMDUYDPFYCQ-QAPCUYQASA-N 0 0 347.459 2.280 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[C@H]3OC)C2)cc1 ZINC000852239134 1292057854 /nfs/dbraw/zinc/05/78/54/1292057854.db2.gz KXTAHMGUFHXTGP-RLFYNMQTSA-N 0 0 347.459 2.388 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC[C@H]3C)C2)cc1 ZINC000852327096 1292093810 /nfs/dbraw/zinc/09/38/10/1292093810.db2.gz QSQFZWZMHNIWNB-PMPSAXMXSA-N 0 0 347.459 2.246 10 10 EECERN CN(C)c1ccc(CNC(=O)NCCO[C@@H]2CC2(F)F)cc1F ZINC000852529281 1292127577 /nfs/dbraw/zinc/12/75/77/1292127577.db2.gz GJNCRTWRXLHCCP-CYBMUJFWSA-N 0 0 331.338 2.115 10 10 EECERN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@](C)(C(F)F)O1 ZINC000853630702 1292427819 /nfs/dbraw/zinc/42/78/19/1292427819.db2.gz HOGRWZCJLQYCKB-SULUZNBOSA-N 0 0 329.343 2.063 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](OC)CC3)C2)cc1 ZINC000854297372 1292709555 /nfs/dbraw/zinc/70/95/55/1292709555.db2.gz QXZRWVHULVSHAY-NVXWUHKLSA-N 0 0 347.459 2.484 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)N3CCC(F)(F)C3)C2)cc1 ZINC000854299128 1292710466 /nfs/dbraw/zinc/71/04/66/1292710466.db2.gz MASXWXNERIALML-GFCCVEGCSA-N 0 0 325.359 2.325 10 10 EECERN CCCCN(CCCO)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300158 1292711090 /nfs/dbraw/zinc/71/10/90/1292711090.db2.gz VLZNRLVXELZSMK-MRXNPFEDSA-N 0 0 349.475 2.468 10 10 EECERN CC[C@H]1COCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854301653 1292712504 /nfs/dbraw/zinc/71/25/04/1292712504.db2.gz RRZRZBWPLKWKJX-GJZGRUSLSA-N 0 0 333.432 2.094 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)c3cnn(C)c3)C2)cc1 ZINC000855225555 1293117942 /nfs/dbraw/zinc/11/79/42/1293117942.db2.gz KTBGQLRQICRYJZ-HNNXBMFYSA-N 0 0 342.443 2.101 10 10 EECERN Cc1cn2c(n1)C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000858199779 1294042802 /nfs/dbraw/zinc/04/28/02/1294042802.db2.gz RNGMEZJGSJTARG-MRXNPFEDSA-N 0 0 326.444 2.479 10 10 EECERN Cc1ccc(O)c(CNC(=O)C(C)(C)NC(=O)COC(C)(C)C)c1 ZINC000862755529 1295951475 /nfs/dbraw/zinc/95/14/75/1295951475.db2.gz VNSZYJSQCHUJHK-UHFFFAOYSA-N 0 0 336.432 2.027 10 10 EECERN Cc1cc(CC(=O)N[C@H]2C[C@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000862817474 1295973057 /nfs/dbraw/zinc/97/30/57/1295973057.db2.gz LMRQXTCKNRIALK-WKILWMFISA-N 0 0 325.412 2.017 10 10 EECERN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC3(CCOCC3)O2)c1 ZINC000927187609 1297059073 /nfs/dbraw/zinc/05/90/73/1297059073.db2.gz NCVHYQBCRAWRCL-OAHLLOKOSA-N 0 0 334.416 2.228 10 10 EECERN COc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)ccc1O ZINC001116903793 1305928692 /nfs/dbraw/zinc/92/86/92/1305928692.db2.gz SDWYJHABHOZKBY-UHFFFAOYSA-N 0 0 348.380 2.086 10 10 EECERN Cc1ccc(F)c(CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001118950557 1308964397 /nfs/dbraw/zinc/96/43/97/1308964397.db2.gz BTOBADPHVPKILC-UHFFFAOYSA-N 0 0 342.370 2.341 10 10 EECERN CN(C)c1ccc(CNC(=O)C(=O)NCC2(CC3CC3)CC2)cc1F ZINC001119489192 1309088078 /nfs/dbraw/zinc/08/80/78/1309088078.db2.gz VSRDRWLCOLEPBD-UHFFFAOYSA-N 0 0 347.434 2.204 10 10 EECERN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCc1cccc(O)c1O ZINC001123977411 1310788668 /nfs/dbraw/zinc/78/86/68/1310788668.db2.gz FIMQSCLBDAUXJQ-GFCCVEGCSA-N 0 0 334.416 2.189 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001124550139 1310915603 /nfs/dbraw/zinc/91/56/03/1310915603.db2.gz ZTNBUGGNKRIIHI-UHFFFAOYSA-N 0 0 343.387 2.050 10 10 EECERN CC(C)n1cnnc1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001292948808 1328560568 /nfs/dbraw/zinc/56/05/68/1328560568.db2.gz RPKRRQBRKPAXEX-UHFFFAOYSA-N 0 0 332.385 2.415 10 10 EECERN COC(=O)C(C)(C)N1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840936704 1315440308 /nfs/dbraw/zinc/44/03/08/1315440308.db2.gz CVGUXKOSGMFWDY-UHFFFAOYSA-N 0 0 340.851 2.423 10 10 EECERN C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000841064082 1315466383 /nfs/dbraw/zinc/46/63/83/1315466383.db2.gz PAJWZFUFBOAANI-NVGCLXPQSA-N 0 0 339.395 2.277 10 10 EECERN Nc1ccc(CCNC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)cc1 ZINC000841957604 1315644204 /nfs/dbraw/zinc/64/42/04/1315644204.db2.gz SIAHSVJPYOGOLL-UHFFFAOYSA-N 0 0 345.830 2.378 10 10 EECERN CSCc1nc(CNC(=O)NCc2cc(Cl)ccc2O)n[nH]1 ZINC001255509094 1318442182 /nfs/dbraw/zinc/44/21/82/1318442182.db2.gz MNXPYQIVFKZQJT-UHFFFAOYSA-N 0 0 341.824 2.026 10 10 EECERN COC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)o1 ZINC001162612160 1320912247 /nfs/dbraw/zinc/91/22/47/1320912247.db2.gz DJECZQCCAZHJQW-UHFFFAOYSA-N 0 0 326.308 2.250 10 10 EECERN C[C@@]1(C(=O)[O-])C[C@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC001262164852 1322250325 /nfs/dbraw/zinc/25/03/25/1322250325.db2.gz WZTXCFMWNBCUOO-OTYXRUKQSA-N 0 0 344.205 2.267 10 10 EECERN C/C=C(/C)C(=O)NCC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001297185141 1329949572 /nfs/dbraw/zinc/94/95/72/1329949572.db2.gz XDHOWISWFFABBJ-TUUVMHBJSA-N 0 0 343.387 2.003 10 10 EECERN C[C@@H]1CC(=O)Nc2ccc(C(=O)NCc3c(O)cccc3O)cc2N1 ZINC001304053804 1331375385 /nfs/dbraw/zinc/37/53/85/1331375385.db2.gz SMKJZMDPGIRMNO-SNVBAGLBSA-N 0 0 341.367 2.170 10 10 EECERN CS(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)cs1 ZINC001305084013 1331408950 /nfs/dbraw/zinc/40/89/50/1331408950.db2.gz FAOYGVHMOQGCSV-UHFFFAOYSA-N 0 0 345.829 2.441 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)[C@@]1(O)CCOC1 ZINC001326012971 1334014934 /nfs/dbraw/zinc/01/49/34/1334014934.db2.gz JIGJRNOFKQEVLH-LJQANCHMSA-N 0 0 349.475 2.038 10 10 EECERN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC(F)F ZINC001326423314 1334090656 /nfs/dbraw/zinc/09/06/56/1334090656.db2.gz SDXOZWBJMUOSGB-RYUDHWBXSA-N 0 0 341.402 2.337 10 10 EECERN CCN(CCC(F)(F)F)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330415591 1334839655 /nfs/dbraw/zinc/83/96/55/1334839655.db2.gz OJWHQVJABGHQCX-UHFFFAOYSA-N 0 0 330.306 2.035 10 10 EECERN Cc1cc(CC(=O)NCCOCCCO)c(C)n1-c1ccccc1 ZINC001330818484 1334908718 /nfs/dbraw/zinc/90/87/18/1334908718.db2.gz SPBHOUAYYUQBMD-UHFFFAOYSA-N 0 0 330.428 2.152 10 10 EECERN CCN(CC)c1ccc(CNC(=O)C(=O)N2CC3CC2(C)C3)cc1 ZINC001330864926 1334917475 /nfs/dbraw/zinc/91/74/75/1334917475.db2.gz CYIWQXPSGUHCOV-UHFFFAOYSA-N 0 0 329.444 2.160 10 10 EECERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001332067320 1335718235 /nfs/dbraw/zinc/71/82/35/1335718235.db2.gz OGTNSAVCBZQYRF-BJWYYQGGSA-N 0 0 343.471 2.404 10 10 EECERN CC(C)(C)OC(=O)NCC1(C(=O)NCc2cccc(O)c2O)CC1 ZINC001333010807 1335946564 /nfs/dbraw/zinc/94/65/64/1335946564.db2.gz UIJXVUAQZWAXKW-UHFFFAOYSA-N 0 0 336.388 2.019 10 10 EECERN CO[C@@H]1COC[C@H]1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001334455800 1336255334 /nfs/dbraw/zinc/25/53/34/1336255334.db2.gz YEVVHKKEIBSRME-QZTJIDSGSA-N 0 0 328.412 2.167 10 10 EECERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(F)(F)C1(O)CCCCC1 ZINC001556158227 1342423397 /nfs/dbraw/zinc/42/33/97/1342423397.db2.gz VJVNRYBNMKTOKY-NSHDSACASA-N 0 0 343.370 2.476 10 10 EECERN Cc1oncc1CN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567321969 1342739586 /nfs/dbraw/zinc/73/95/86/1342739586.db2.gz LWLIDHLZNGBYLP-UHFFFAOYSA-N 0 0 344.375 2.007 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ccc(OCC(F)(F)F)cn1 ZINC001597574782 1349927981 /nfs/dbraw/zinc/92/79/81/1349927981.db2.gz SRVCXJMKAXCDOS-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN CCCC(=O)N[C@@H](C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001678595796 1357534369 /nfs/dbraw/zinc/53/43/69/1357534369.db2.gz FVVIWEZPMVFGPR-NSHDSACASA-N 0 0 345.403 2.226 10 10 EECERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CN1CCCCC1=O ZINC001623549999 1352399686 /nfs/dbraw/zinc/39/96/86/1352399686.db2.gz PTFOUYHLUZCAPL-UHFFFAOYSA-N 0 0 329.444 2.258 10 10 EECERN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2ccc(O)cc2O)C1 ZINC001626847508 1352475007 /nfs/dbraw/zinc/47/50/07/1352475007.db2.gz BSIGGDCFSGMFDN-CYBMUJFWSA-N 0 0 348.399 2.328 10 10 EECERN CC1(C)OC[C@H](/C=C/C(=O)NCc2ccc3cccnc3c2O)O1 ZINC001627073493 1352482291 /nfs/dbraw/zinc/48/22/91/1352482291.db2.gz PMIKNKGSGHHYAZ-NPQIQWPPSA-N 0 0 328.368 2.264 10 10 EECERN COC(=O)/C=C/c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 ZINC001633817859 1352618517 /nfs/dbraw/zinc/61/85/17/1352618517.db2.gz BMDYTJOZJGOSCR-BWNDKRECSA-N 0 0 345.351 2.238 10 10 EECERN CON(C)C1CN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC001636143829 1352660267 /nfs/dbraw/zinc/66/02/67/1352660267.db2.gz VEBGHIIFIIPYDA-UHFFFAOYSA-N 0 0 341.411 2.224 10 10 EECERN Cc1ccc(C2=NO[C@@H](C(=O)NCc3cc(O)ccc3O)C2)cc1 ZINC001637129836 1352673165 /nfs/dbraw/zinc/67/31/65/1352673165.db2.gz QTVLHWCRHBXUIO-QGZVFWFLSA-N 0 0 326.352 2.216 10 10 EECERN Cc1ccc(C(=O)NC[C@H](c2nnc[nH]2)c2ccccc2)c(O)c1O ZINC001640624146 1352712650 /nfs/dbraw/zinc/71/26/50/1352712650.db2.gz DPXJUYOASXHRKW-AWEZNQCLSA-N 0 0 338.367 2.086 10 10 EECERN COc1ccc2[nH]cc(C3=CCN(c4nccnc4C(N)=O)CC3)c2c1 ZINC001654994998 1354162976 /nfs/dbraw/zinc/16/29/76/1354162976.db2.gz WXZQGQLHEATJPL-UHFFFAOYSA-N 0 0 349.394 2.359 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000921375993 773314087 /nfs/dbraw/zinc/31/40/87/773314087.db2.gz HRBDISCQGITTPD-VHRBIJSZSA-N 0 0 338.429 2.072 10 10 EECERN C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 ZINC000906316865 783837650 /nfs/dbraw/zinc/83/76/50/783837650.db2.gz HUMPHYIZTKWCPW-SUMWQHHRSA-N 0 0 336.407 2.094 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)NCCCN2CCCCCC2=O)cc1 ZINC001135708335 784272547 /nfs/dbraw/zinc/27/25/47/784272547.db2.gz ZRRJCURNMGVXHB-UHFFFAOYSA-N 0 0 345.403 2.372 10 10 EECERN COc1cccc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)c1O ZINC000907060126 784358718 /nfs/dbraw/zinc/35/87/18/784358718.db2.gz KTEONOWRZNKFQL-VIFPVBQESA-N 0 0 342.606 2.138 10 10 EECERN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H](O)CN1CCOCC1 ZINC000817299214 784664556 /nfs/dbraw/zinc/66/45/56/784664556.db2.gz WSFKNNUBNMNPKH-ROUUACIJSA-N 0 0 348.487 2.023 10 10 EECERN CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000910551686 786868430 /nfs/dbraw/zinc/86/84/30/786868430.db2.gz DWEQWWZTNJLGOM-LLVKDONJSA-N 0 0 348.424 2.442 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000911303730 787367628 /nfs/dbraw/zinc/36/76/28/787367628.db2.gz OYLQWOQNKTUKRI-QAPCUYQASA-N 0 0 347.411 2.099 10 10 EECERN CC(=O)Nc1cnccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC001136744084 787805625 /nfs/dbraw/zinc/80/56/25/787805625.db2.gz JSUHCMLOUWFGGQ-UHFFFAOYSA-N 0 0 326.400 2.344 10 10 EECERN CC(C)c1nc([C@@H](CO)NC(=O)Cc2ccc(O)c(O)c2)cs1 ZINC001143949851 789093600 /nfs/dbraw/zinc/09/36/00/789093600.db2.gz RMJHBPINUZOXPD-LLVKDONJSA-N 0 0 336.413 2.070 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCCCO1 ZINC000844897060 789439208 /nfs/dbraw/zinc/43/92/08/789439208.db2.gz KGPYWRPMVNBKRO-UHFFFAOYSA-N 0 0 337.395 2.289 10 10 EECERN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2COCC2(C)C)cc1 ZINC000845243058 789690861 /nfs/dbraw/zinc/69/08/61/789690861.db2.gz XFQBWAQWENQRGU-INIZCTEOSA-N 0 0 335.448 2.198 10 10 EECERN COc1ccc(CNC(=O)N[C@H](C2CC2)C2CCOCC2)c(O)c1 ZINC000845431758 789773528 /nfs/dbraw/zinc/77/35/28/789773528.db2.gz VNHWIOLBFXITBO-QGZVFWFLSA-N 0 0 334.416 2.405 10 10 EECERN CNC(=O)c1cccnc1N(C)CCN(C)c1ccc(OC)cc1 ZINC000845673013 789916681 /nfs/dbraw/zinc/91/66/81/789916681.db2.gz ONCRGUQGBNTFHG-UHFFFAOYSA-N 0 0 328.416 2.022 10 10 EECERN CO[C@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000786113534 806689442 /nfs/dbraw/zinc/68/94/42/806689442.db2.gz QPZLOCGIVBDCKH-SOUVJXGZSA-N 0 0 335.448 2.307 10 10 EECERN O=C(NCc1c(O)cccc1O)c1ncccc1OCC(F)(F)F ZINC001178911270 799696625 /nfs/dbraw/zinc/69/66/25/799696625.db2.gz LCRWQIPEGWJZRC-UHFFFAOYSA-N 0 0 342.273 2.364 10 10 EECERN Cn1nc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1C(F)(F)F ZINC001180276712 800354236 /nfs/dbraw/zinc/35/42/36/800354236.db2.gz JHAQCFQOFWAACJ-HYXAFXHYSA-N 0 0 341.289 2.180 10 10 EECERN Cc1cc(C(=O)N[C@H]2CCc3cncn3C2)c(C)n1-c1ccccn1 ZINC000804334200 803920108 /nfs/dbraw/zinc/92/01/08/803920108.db2.gz BDRDPMLDCBQEIH-HNNXBMFYSA-N 0 0 335.411 2.430 10 10 EECERN Cc1ccc(C(=O)N2CCO[C@@H](COc3ccccc3)C2)c(O)c1O ZINC000791157735 809084799 /nfs/dbraw/zinc/08/47/99/809084799.db2.gz ZUDCORRGVNXSHN-OAHLLOKOSA-N 0 0 343.379 2.326 10 10 EECERN CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000792793699 809999838 /nfs/dbraw/zinc/99/98/38/809999838.db2.gz TYDGKGSEQHNUML-IEBWSBKVSA-N 0 0 347.459 2.232 10 10 EECERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000804370673 810820693 /nfs/dbraw/zinc/82/06/93/810820693.db2.gz SVBQPTDXFAHZDY-PKVJSOQTSA-N 0 0 331.290 2.289 10 10 EECERN C[C@H](NC(=O)C1CN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000807273974 812168237 /nfs/dbraw/zinc/16/82/37/812168237.db2.gz DICRSQMHULSMIA-NSHDSACASA-N 0 0 329.366 2.424 10 10 EECERN CC(C)[C@H](C)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807272537 812168378 /nfs/dbraw/zinc/16/83/78/812168378.db2.gz JQTBRBXEYVIHFX-OAHLLOKOSA-N 0 0 329.444 2.087 10 10 EECERN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2nnn(C)c2c1 ZINC000808094419 812454434 /nfs/dbraw/zinc/45/44/34/812454434.db2.gz NSTPMSKYMXZHNT-UHFFFAOYSA-N 0 0 331.372 2.090 10 10 EECERN O=C(Cc1cc(C(F)(F)F)ccn1)NCc1ccc(O)c(O)c1 ZINC001445898337 1091826095 /nfs/dbraw/zinc/82/60/95/1091826095.db2.gz AEZKECUTXHVAHQ-UHFFFAOYSA-N 0 0 326.274 2.371 10 10 EECERN COC(=O)c1cccc2c1CCN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001450855764 1095354203 /nfs/dbraw/zinc/35/42/03/1095354203.db2.gz KJVRQPUCQRXXJZ-UHFFFAOYSA-N 0 0 341.363 2.012 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(-n2cc[nH]c2=O)c1 ZINC001441965489 1096167937 /nfs/dbraw/zinc/16/79/37/1096167937.db2.gz YRHOHDDCCLKXFU-UHFFFAOYSA-N 0 0 325.324 2.170 10 10 EECERN O=C(CCCNC(=O)c1ccc(F)cc1)NCc1ccc(O)cc1O ZINC001451772478 1097918009 /nfs/dbraw/zinc/91/80/09/1097918009.db2.gz WOOJXSANMQRNCY-UHFFFAOYSA-N 0 0 346.358 2.063 10 10 EECERN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1noc(C(F)(F)F)n1 ZINC001452061788 1098166256 /nfs/dbraw/zinc/16/62/56/1098166256.db2.gz GVZHVIPBYFIJGS-MZTFZBDOSA-N 0 0 343.261 2.390 10 10 EECERN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](O)[C@@H]3C)ccc21 ZINC001449642038 1104762970 /nfs/dbraw/zinc/76/29/70/1104762970.db2.gz YGJLAJCRAMGJJY-KSSFIOAISA-N 0 0 330.428 2.500 10 10 EECERN O=C(Cc1csc(-c2ccccn2)n1)NCc1cccc(O)c1O ZINC001455315423 1108424151 /nfs/dbraw/zinc/42/41/51/1108424151.db2.gz FOXKSBJTOMZJAX-UHFFFAOYSA-N 0 0 341.392 2.475 10 10 EECERN COC(=O)c1nccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001458085165 1109830686 /nfs/dbraw/zinc/83/06/86/1109830686.db2.gz WSECDOPKTUNSPR-UHFFFAOYSA-N 0 0 335.367 2.433 10 10 EECERN COc1cc(C(=O)NCc2c(O)cccc2F)cc2c1OCCO2 ZINC001471974445 1110537070 /nfs/dbraw/zinc/53/70/70/1110537070.db2.gz DSTKWRHZCMHTNT-UHFFFAOYSA-N 0 0 333.315 2.241 10 10 EECERN CC[C@@H](CNC(=O)C1(C)CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001499137834 1112143498 /nfs/dbraw/zinc/14/34/98/1112143498.db2.gz DEDVIGHFQGGKOT-LBPRGKRZSA-N 0 0 345.403 2.274 10 10 EECERN COc1ccc(O)c([C@@H](C)NC(=O)N[C@]2(C)CC(C)(C)OC2=O)c1 ZINC001520145608 1119131632 /nfs/dbraw/zinc/13/16/32/1119131632.db2.gz IDBUEEQQQBJWNT-BMLIUANNSA-N 0 0 336.388 2.245 10 10 EECERN COc1ccc(N2CCCN(C(=O)c3ncc(Cl)cn3)CC2)cc1 ZINC001527714829 1120854897 /nfs/dbraw/zinc/85/48/97/1120854897.db2.gz JTMWZKVQMNXNTB-UHFFFAOYSA-N 0 0 346.818 2.491 10 10 EECERN CCn1cc(-c2nn(C)cc2C(=O)N2CCc3cc(F)cnc32)cn1 ZINC001533980157 1123282477 /nfs/dbraw/zinc/28/24/77/1123282477.db2.gz IIDIPMVWRVIHHD-UHFFFAOYSA-N 0 0 340.362 2.041 10 10 EECERN CC(C)c1nnc(N2CCOCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001541372546 1124104357 /nfs/dbraw/zinc/10/43/57/1124104357.db2.gz AGPJRVNOEHRRSV-UHFFFAOYSA-N 0 0 347.438 2.492 10 10 EECERN O=S(=O)([C@@H]1CCN(Cc2cc(Cl)ccc2O)C1)N1CCCC1 ZINC000092044837 237036331 /nfs/dbraw/zinc/03/63/31/237036331.db2.gz BAZSWBJCELLVPY-CQSZACIVSA-N 0 0 344.864 2.046 10 10 EECERN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000066699428 462921882 /nfs/dbraw/zinc/92/18/82/462921882.db2.gz ILUWDERGNSKJTQ-OAHLLOKOSA-N 0 0 335.448 2.035 10 10 EECERN COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2c2nccs2)c1 ZINC000155951856 462962970 /nfs/dbraw/zinc/96/29/70/462962970.db2.gz SARZFUWVIXWKAM-ZDUSSCGKSA-N 0 0 333.413 2.143 10 10 EECERN Cc1cc(C(=O)NCCCN2CCOC2=O)c(C)n1-c1ccccn1 ZINC000077331965 462970127 /nfs/dbraw/zinc/97/01/27/462970127.db2.gz JILIAPXTNMYPNU-UHFFFAOYSA-N 0 0 342.399 2.061 10 10 EECERN CN(Cc1ccccc1O)C(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000053915968 463195798 /nfs/dbraw/zinc/19/57/98/463195798.db2.gz XJINRCKAQLNTQD-UHFFFAOYSA-N 0 0 342.395 2.496 10 10 EECERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000164805087 463633095 /nfs/dbraw/zinc/63/30/95/463633095.db2.gz DTXQYWFVIHRPRC-CJNGLKHVSA-N 0 0 345.422 2.440 10 10 EECERN Cn1nccc1CCC(=O)NCc1cccc(Br)c1O ZINC000277398031 463913931 /nfs/dbraw/zinc/91/39/31/463913931.db2.gz BBZUYIGTFDZVDR-UHFFFAOYSA-N 0 0 338.205 2.137 10 10 EECERN CCCN(CCC)c1ccc(CN2CCO[C@H](C(=O)NC)C2)cc1 ZINC000182444165 464656936 /nfs/dbraw/zinc/65/69/36/464656936.db2.gz IJLQPQNXYPXSIX-SFHVURJKSA-N 0 0 333.476 2.260 10 10 EECERN COC(=O)/C=C/c1ccc(N2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275456302 464774058 /nfs/dbraw/zinc/77/40/58/464774058.db2.gz MFRNZXRATSDRPY-KEDPEKRHSA-N 0 0 334.372 2.378 10 10 EECERN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CC(N)=O)cc1 ZINC000266859845 464847832 /nfs/dbraw/zinc/84/78/32/464847832.db2.gz UCRHRQWIFABFHZ-UHFFFAOYSA-N 0 0 341.411 2.170 10 10 EECERN COc1cccc(CNS(=O)(=O)C[C@@H]2CCCC2(F)F)c1O ZINC000295743847 464949488 /nfs/dbraw/zinc/94/94/88/464949488.db2.gz WTGHXBNSNVJUEJ-NSHDSACASA-N 0 0 335.372 2.256 10 10 EECERN COC(=O)[C@]12C[N@H+](Cc3c([O-])ccc(Cl)c3F)C[C@H]1COCC2 ZINC000369542916 466737034 /nfs/dbraw/zinc/73/70/34/466737034.db2.gz YUYVKAMQNBIWGC-MGPLVRAMSA-N 0 0 343.782 2.196 10 10 EECERN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnn1 ZINC000528858775 467768941 /nfs/dbraw/zinc/76/89/41/467768941.db2.gz CFSYUKLRJCGXFN-CQSZACIVSA-N 0 0 346.818 2.230 10 10 EECERN Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)nn2c1OCCC2 ZINC000562529104 468979586 /nfs/dbraw/zinc/97/95/86/468979586.db2.gz NGOZPWCZTNSJPW-UHFFFAOYSA-N 0 0 342.399 2.079 10 10 EECERN Cc1c(C)n(C)c2ccc(OC[C@@H]3CCN(S(C)(=O)=O)C3)cc12 ZINC000664098883 471637256 /nfs/dbraw/zinc/63/72/56/471637256.db2.gz RBQDFHPZUJYSDM-CQSZACIVSA-N 0 0 336.457 2.455 10 10 EECERN COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000775353620 577435806 /nfs/dbraw/zinc/43/58/06/577435806.db2.gz WVGGLMZETFPFSH-RYUDHWBXSA-N 0 0 337.376 2.257 10 10 EECERN COc1cc(NC(=O)NCCCSc2nccs2)nn1C ZINC000775908351 577448462 /nfs/dbraw/zinc/44/84/62/577448462.db2.gz KRFKCTZNVMQCGU-UHFFFAOYSA-N 0 0 327.435 2.189 10 10 EECERN O=C(/C=C/c1ccncn1)NCc1cccc(Br)c1O ZINC000765725998 577506142 /nfs/dbraw/zinc/50/61/42/577506142.db2.gz BOIRJBWENIGJJD-SNAWJCMRSA-N 0 0 334.173 2.274 10 10 EECERN C[C@H](CCNC(=O)NCc1ccc2c(c1)CCCN2C)[S@](C)=O ZINC000765979798 577510542 /nfs/dbraw/zinc/51/05/42/577510542.db2.gz IMTMPPUWVLHEHE-ZLOXQWCVSA-N 0 0 337.489 2.025 10 10 EECERN O=C(/C=C\c1ccc(O)c(O)c1)OCc1nc(-c2ccoc2)no1 ZINC000759594083 577646141 /nfs/dbraw/zinc/64/61/41/577646141.db2.gz FSGLTXDUWRAECM-RQOWECAXSA-N 0 0 328.280 2.497 10 10 EECERN Cc1nsc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000763257625 577718014 /nfs/dbraw/zinc/71/80/14/577718014.db2.gz PKGWGCVPQYUNNG-CYBMUJFWSA-N 0 0 333.413 2.374 10 10 EECERN O=C(CCOCC1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000751238927 577749623 /nfs/dbraw/zinc/74/96/23/577749623.db2.gz JRCWRFAASOHNBC-UHFFFAOYSA-N 0 0 336.407 2.095 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)c1 ZINC000756378828 577842970 /nfs/dbraw/zinc/84/29/70/577842970.db2.gz HAJMCLRMPSDJJK-LLVKDONJSA-N 0 0 331.416 2.422 10 10 EECERN COCCOCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000746426844 577927676 /nfs/dbraw/zinc/92/76/76/577927676.db2.gz SZJFFCOBXXWYJT-UHFFFAOYSA-N 0 0 330.428 2.416 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000746714506 577932898 /nfs/dbraw/zinc/93/28/98/577932898.db2.gz ADHPHSOKYCLMGE-OLSJYMTNSA-N 0 0 334.372 2.378 10 10 EECERN Cc1cc(CS(=O)(=O)NCCCSc2nccs2)no1 ZINC000735315564 578146095 /nfs/dbraw/zinc/14/60/95/578146095.db2.gz WIEJAALAAGAQQQ-UHFFFAOYSA-N 0 0 333.460 2.041 10 10 EECERN Cc1cc(C(=O)NCc2cc(Br)ccc2O)cc(=O)[nH]1 ZINC000804733131 675608790 /nfs/dbraw/zinc/60/87/90/675608790.db2.gz JIEOVRNSSMFYLZ-UHFFFAOYSA-N 0 0 337.173 2.494 10 10 EECERN O=C(NCc1cc(Br)ccc1O)c1ccc2n[nH]nc2c1 ZINC000804735593 675610091 /nfs/dbraw/zinc/61/00/91/675610091.db2.gz ASIBQKGRTVIPFD-UHFFFAOYSA-N 0 0 347.172 2.356 10 10 EECERN CN1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1=O ZINC000723589086 676604612 /nfs/dbraw/zinc/60/46/12/676604612.db2.gz COTVXDUCJLSHSE-MRVPVSSYSA-N 0 0 347.640 2.376 10 10 EECERN O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc2cc(O)c(O)cc2s1 ZINC000896350086 684950556 /nfs/dbraw/zinc/95/05/56/684950556.db2.gz CYLKAMRAXINXHI-SNVBAGLBSA-N 0 0 329.381 2.323 10 10 EECERN COC(=O)[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000896554073 685053510 /nfs/dbraw/zinc/05/35/10/685053510.db2.gz SWGORMUKBUWSCF-KOLCDFICSA-N 0 0 326.780 2.187 10 10 EECERN CC(C)(/C=C\Cl)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000928930842 688285561 /nfs/dbraw/zinc/28/55/61/688285561.db2.gz AMCXXRHGJFANRY-SREVYHEPSA-N 0 0 332.809 2.025 10 10 EECERN CCO[C@H]1COCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897389766 688738383 /nfs/dbraw/zinc/73/83/83/688738383.db2.gz BOKRBQWHJWKELE-MFKMUULPSA-N 0 0 337.397 2.236 10 10 EECERN Cc1cc(NCCNC(=O)c2cc3cc(O)c(O)cc3s2)n(C)n1 ZINC000897626911 691708264 /nfs/dbraw/zinc/70/82/64/691708264.db2.gz DWLXQUCFXSGWHP-UHFFFAOYSA-N 0 0 346.412 2.196 10 10 EECERN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@]2(CCCOC2)C1 ZINC000897724260 691759325 /nfs/dbraw/zinc/75/93/25/691759325.db2.gz BTUOMKNCPLIXGM-QGZVFWFLSA-N 0 0 349.408 2.334 10 10 EECERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000898630607 693405176 /nfs/dbraw/zinc/40/51/76/693405176.db2.gz LRCCCEMVFOOFQY-LFVTVUPYSA-N 0 0 343.471 2.119 10 10 EECERN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(C(F)F)CC1 ZINC000843810161 1188617932 /nfs/dbraw/zinc/61/79/32/1188617932.db2.gz DERBMINTUOGVCN-UHFFFAOYSA-N 0 0 342.361 2.448 10 10 EECERN C[C@@]1(C(F)(F)F)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000871437212 1197731725 /nfs/dbraw/zinc/73/17/25/1197731725.db2.gz DNLVTXKYURNKCT-KQIUPUNMSA-N 0 0 331.290 2.291 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC000864635059 1197857927 /nfs/dbraw/zinc/85/79/27/1197857927.db2.gz QSYXGUOUGWYMAE-QUCCMNQESA-N 0 0 344.455 2.441 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000864984364 1198033135 /nfs/dbraw/zinc/03/31/35/1198033135.db2.gz PNAVWLPIDOLWJX-RBUKOAKNSA-N 0 0 344.455 2.202 10 10 EECERN O=C(NCc1ccc(N2CCOCC2)cc1)C1CC2(CSC2)C1 ZINC000864984143 1198033924 /nfs/dbraw/zinc/03/39/24/1198033924.db2.gz HYWPPHMIANRUGW-UHFFFAOYSA-N 0 0 332.469 2.283 10 10 EECERN COc1ccc(O)c([C@H](C)NC(=O)c2nn3c(c2C)OCCC3)c1 ZINC000825736882 1198887921 /nfs/dbraw/zinc/88/79/21/1198887921.db2.gz MHIIQNWAHYUCCV-NSHDSACASA-N 0 0 331.372 2.179 10 10 EECERN Cc1cc(=O)[nH]c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000814259265 1199388273 /nfs/dbraw/zinc/38/82/73/1199388273.db2.gz GFXQFYAFECSWKB-UHFFFAOYSA-N 0 0 341.411 2.204 10 10 EECERN CN(C)c1ccc(CN2C(=O)c3c(cccc3F)S2(=O)=O)cc1 ZINC000814764073 1199720899 /nfs/dbraw/zinc/72/08/99/1199720899.db2.gz QIVKPGCDBIUIHW-UHFFFAOYSA-N 0 0 334.372 2.236 10 10 EECERN CC(C)[C@@](C)(CO)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000812014314 1200450179 /nfs/dbraw/zinc/45/01/79/1200450179.db2.gz HHJTYKWWTXPKIZ-DNVCBOLYSA-N 0 0 349.475 2.290 10 10 EECERN COc1ccc(N2CCC(NC(=O)N[C@](C)(CO)C(C)C)CC2)cc1 ZINC000812024812 1200466636 /nfs/dbraw/zinc/46/66/36/1200466636.db2.gz TURKMWQSNKHAMR-LJQANCHMSA-N 0 0 349.475 2.370 10 10 EECERN COc1cc(C(=O)N2Cc3cccc(O)c3C2)cc2c1OCCO2 ZINC000871198044 1201095759 /nfs/dbraw/zinc/09/57/59/1201095759.db2.gz GADZPCFMRSGMJZ-UHFFFAOYSA-N 0 0 327.336 2.328 10 10 EECERN O=C([C@@H](C[C@@H]1COCCO1)C(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871205885 1201099335 /nfs/dbraw/zinc/09/93/35/1201099335.db2.gz MXNCPYIRARSROU-DGCLKSJQSA-N 0 0 345.317 2.218 10 10 EECERN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)n(C2CCOCC2)n1 ZINC000871207284 1201100473 /nfs/dbraw/zinc/10/04/73/1201100473.db2.gz MHHSKYKYEWCQOQ-UHFFFAOYSA-N 0 0 327.384 2.405 10 10 EECERN COC(=O)/C=C\c1ccc(N2CCC([C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000866135740 1201443226 /nfs/dbraw/zinc/44/32/26/1201443226.db2.gz DCZWRVFEFTUCCI-RNZFLTOJSA-N 0 0 334.372 2.378 10 10 EECERN CC(=O)c1cc(F)cc(Cn2cc([C@H]3CCCC[C@@H]3O)nn2)c1O ZINC000880996168 1201619417 /nfs/dbraw/zinc/61/94/17/1201619417.db2.gz PCFNPRJXXYQRII-CJNGLKHVSA-N 0 0 333.363 2.392 10 10 EECERN COc1ccc(N2CCN(C(=O)N3CC[C@@H](C)C3)CC2)c(OC)c1 ZINC000867732129 1201668335 /nfs/dbraw/zinc/66/83/35/1201668335.db2.gz YQSACGFIVWQBBF-CQSZACIVSA-N 0 0 333.432 2.288 10 10 EECERN C[C@H](NC(=O)NCCNC(=O)c1cccs1)c1ccccc1O ZINC000868109483 1201745412 /nfs/dbraw/zinc/74/54/12/1201745412.db2.gz WXQJTBXFGBFOKC-NSHDSACASA-N 0 0 333.413 2.244 10 10 EECERN COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H]3C)CC2)cc1 ZINC000868897101 1201900777 /nfs/dbraw/zinc/90/07/77/1201900777.db2.gz NGGPDMAJZYNPLM-IIDMSEBBSA-N 0 0 347.459 2.483 10 10 EECERN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000868902278 1201902519 /nfs/dbraw/zinc/90/25/19/1201902519.db2.gz CAFGDQRJAFUTEI-XWJBARJFSA-N 0 0 329.444 2.284 10 10 EECERN CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000826531349 1204183294 /nfs/dbraw/zinc/18/32/94/1204183294.db2.gz RDAZDEASWAWGHO-MSOLQXFVSA-N 0 0 332.444 2.079 10 10 EECERN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(OC)cc2O)[C@@H]1SC ZINC000828103264 1204876324 /nfs/dbraw/zinc/87/63/24/1204876324.db2.gz GRFQSRKMPSUJCD-YUELXQCFSA-N 0 0 340.445 2.109 10 10 EECERN O=C(NCc1c(O)cccc1F)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000928707707 1206413725 /nfs/dbraw/zinc/41/37/25/1206413725.db2.gz BAKRVJJIBPKXGL-AWEZNQCLSA-N 0 0 342.370 2.196 10 10 EECERN COc1ccc(O)c(CNC(=O)c2c[nH]cc2-c2cnn(C)c2)c1 ZINC000779000376 1208432124 /nfs/dbraw/zinc/43/21/24/1208432124.db2.gz CCENUCAUEZFVPA-UHFFFAOYSA-N 0 0 326.356 2.059 10 10 EECERN C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](C)CO ZINC000077777547 1209963856 /nfs/dbraw/zinc/96/38/56/1209963856.db2.gz SJUULBJCENDAPT-ZIAGYGMSSA-N 0 0 337.489 2.056 10 10 EECERN CN1C[C@@H](CC[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1=O ZINC000723533118 1230590523 /nfs/dbraw/zinc/59/05/23/1230590523.db2.gz VZYAZZUFRDDNFI-VIFPVBQESA-N 0 0 345.212 2.252 10 10 EECERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@@H]2C(F)F)c1 ZINC000800614763 1234361071 /nfs/dbraw/zinc/36/10/71/1234361071.db2.gz PLBWUDQTCKFWGX-LLVKDONJSA-N 0 0 348.371 2.024 10 10 EECERN CCOC(=O)CN1C(=O)/C(=C/c2cnn(CCF)c2)c2ccccc21 ZINC000901487070 1235867448 /nfs/dbraw/zinc/86/74/48/1235867448.db2.gz ZLCIDUPLHOTCKL-OQLLNIDSSA-N 0 0 343.358 2.303 10 10 EECERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(OC(C)C)CCOC2)c1 ZINC000903356769 1240301360 /nfs/dbraw/zinc/30/13/60/1240301360.db2.gz GQNFSMSKMIIGSJ-FZKQIMNGSA-N 0 0 337.416 2.414 10 10 EECERN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cncc2c1CCCC2 ZINC000850352351 1277196057 /nfs/dbraw/zinc/19/60/57/1277196057.db2.gz SSLBLZQGILVALT-UHFFFAOYSA-N 0 0 339.395 2.263 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCS3)C2)cc1 ZINC000852198057 1292037737 /nfs/dbraw/zinc/03/77/37/1292037737.db2.gz VBZXVAFXVANDLD-CZUORRHYSA-N 0 0 335.473 2.469 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@@H](C)O[C@@H]3C)C2)cc1 ZINC000852381803 1292102657 /nfs/dbraw/zinc/10/26/57/1292102657.db2.gz DIXYXBZABBOWCA-WCVJEAGWSA-N 0 0 347.459 2.387 10 10 EECERN CCC(CC)[C@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852452669 1292117472 /nfs/dbraw/zinc/11/74/72/1292117472.db2.gz BXHZRFMVIDPRDW-CRAIPNDOSA-N 0 0 349.475 2.370 10 10 EECERN COc1ccnc(CNC(=O)NCc2ccc(N(C)C)cc2)c1F ZINC000852589779 1292141562 /nfs/dbraw/zinc/14/15/62/1292141562.db2.gz SPQRSGDQTUGJAG-UHFFFAOYSA-N 0 0 332.379 2.295 10 10 EECERN C[C@H]1COC2(CCCC2)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852636891 1292150443 /nfs/dbraw/zinc/15/04/43/1292150443.db2.gz OUPFHGBCCGAINI-INIZCTEOSA-N 0 0 345.487 2.402 10 10 EECERN COc1ccc(N2CC[C@@H](NC(=O)Cc3ncccc3F)C2)cc1 ZINC000855226550 1293118792 /nfs/dbraw/zinc/11/87/92/1293118792.db2.gz QPCXSVFNZAQYIT-CYBMUJFWSA-N 0 0 329.375 2.167 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnc4ccccn43)C2)cc1 ZINC000855234411 1293123183 /nfs/dbraw/zinc/12/31/83/1293123183.db2.gz ZGGFHWDFFXZKOP-AWEZNQCLSA-N 0 0 336.395 2.352 10 10 EECERN [O-]c1c(Cl)cccc1C[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856535308 1293559347 /nfs/dbraw/zinc/55/93/47/1293559347.db2.gz VBLYUSNMMGWNJN-LSDHHAIUSA-N 0 0 345.830 2.396 10 10 EECERN COc1ccc(N2CC[C@H](NC(=O)c3cnc(Cl)cn3)C2)cc1 ZINC000857302465 1293787732 /nfs/dbraw/zinc/78/77/32/1293787732.db2.gz RWMXFNLSHNNDEP-NSHDSACASA-N 0 0 332.791 2.147 10 10 EECERN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(F)cc1[O-] ZINC000858564984 1294156083 /nfs/dbraw/zinc/15/60/83/1294156083.db2.gz FGAOBMQZNUCXCP-PBHICJAKSA-N 0 0 345.418 2.478 10 10 EECERN Cn1ncc2c1C[C@@H](C(=O)NCc1ccc3cccnc3c1O)CC2 ZINC000862026371 1295660218 /nfs/dbraw/zinc/66/02/18/1295660218.db2.gz LYHMCVAKSXRPEA-ZDUSSCGKSA-N 0 0 336.395 2.095 10 10 EECERN CC[C@@H](NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C)C(N)=O ZINC001234327192 1304873705 /nfs/dbraw/zinc/87/37/05/1304873705.db2.gz NMQVVJIUYOHHFU-QGZVFWFLSA-N 0 0 342.443 2.466 10 10 EECERN Oc1cc2c(cc1CN1CCC=C(Br)C1)[C@H](O)CO2 ZINC000799575426 1305311172 /nfs/dbraw/zinc/31/11/72/1305311172.db2.gz YPUGSWLUZBYTNB-CYBMUJFWSA-N 0 0 326.190 2.303 10 10 EECERN C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]2CCCC[C@@H]12 ZINC001118941352 1308962544 /nfs/dbraw/zinc/96/25/44/1308962544.db2.gz AZCOFEDSUBWLRU-INWMFGNUSA-N 0 0 328.412 2.272 10 10 EECERN CC[C@@H]1[C@H](CO)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000838485970 1315169806 /nfs/dbraw/zinc/16/98/06/1315169806.db2.gz KXKFRSNALHEFNI-FUHWJXTLSA-N 0 0 329.444 2.365 10 10 EECERN COCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000840915297 1315434132 /nfs/dbraw/zinc/43/41/32/1315434132.db2.gz OAWWRMMZYMBLKX-UHFFFAOYSA-N 0 0 335.381 2.274 10 10 EECERN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2=NCC(=O)N2C)c1 ZINC001149340538 1315948347 /nfs/dbraw/zinc/94/83/47/1315948347.db2.gz TZAVCHABEFGOFL-UHFFFAOYSA-N 0 0 344.802 2.305 10 10 EECERN O=C(NCc1cc(O)ccc1O)c1cc2c([nH]c1=O)CCCCC2 ZINC001153885100 1316908546 /nfs/dbraw/zinc/90/85/46/1316908546.db2.gz KTWNRCMRSAVGIE-UHFFFAOYSA-N 0 0 328.368 2.397 10 10 EECERN CCCC(=O)N[C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001295875437 1329850843 /nfs/dbraw/zinc/85/08/43/1329850843.db2.gz STAPVQFPNNQDFK-LLVKDONJSA-N 0 0 333.392 2.274 10 10 EECERN CC(=O)N1CCC(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001297592621 1329987294 /nfs/dbraw/zinc/98/72/94/1329987294.db2.gz ZUCJUDCKYGGEBH-UHFFFAOYSA-N 0 0 345.403 2.227 10 10 EECERN O=C(NCc1noc2c1COCC2)c1cc2cc(O)c(O)cc2s1 ZINC001303973297 1331371880 /nfs/dbraw/zinc/37/18/80/1331371880.db2.gz ZNPYJOYOEHKVHJ-UHFFFAOYSA-N 0 0 346.364 2.303 10 10 EECERN C[C@@H]1C[C@H]1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001322249237 1333236084 /nfs/dbraw/zinc/23/60/84/1333236084.db2.gz GDXWANCDSVUIBW-HIFRSBDPSA-N 0 0 329.444 2.016 10 10 EECERN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)CC(F)F ZINC001329388111 1334638608 /nfs/dbraw/zinc/63/86/08/1334638608.db2.gz DWVBKDVIOYJGRJ-GFCCVEGCSA-N 0 0 341.402 2.119 10 10 EECERN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC(C)(C)F)cc1 ZINC001329391988 1334640220 /nfs/dbraw/zinc/64/02/20/1334640220.db2.gz MGXJXKXMBULNSO-UHFFFAOYSA-N 0 0 337.439 2.356 10 10 EECERN CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)[n-]1 ZINC001333720281 1336114292 /nfs/dbraw/zinc/11/42/92/1336114292.db2.gz VNZVVRQGUNUWSF-CYBMUJFWSA-N 0 0 343.431 2.432 10 10 EECERN Cc1cc(CCNC(=O)C(=O)NC2CCC2)c(C)n1-c1ccccc1 ZINC001336101512 1336480727 /nfs/dbraw/zinc/48/07/27/1336480727.db2.gz XNCREHBSGAEANY-UHFFFAOYSA-N 0 0 339.439 2.422 10 10 EECERN O=C(C(=O)N1Cc2cccc(O)c2C1)N1CC[C@@H](C2CCCC2)C1 ZINC001351922051 1337867571 /nfs/dbraw/zinc/86/75/71/1337867571.db2.gz XHBLCNVMGLWEDZ-CQSZACIVSA-N 0 0 328.412 2.273 10 10 EECERN Cc1ccncc1CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849358717 1339154205 /nfs/dbraw/zinc/15/42/05/1339154205.db2.gz BNVNUCQTNQKIKA-UHFFFAOYSA-N 0 0 325.368 2.103 10 10 EECERN CCC1(CC)NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000849358626 1339154263 /nfs/dbraw/zinc/15/42/63/1339154263.db2.gz ZWXSKTFJTZVVAF-CQSZACIVSA-N 0 0 331.416 2.385 10 10 EECERN COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC3CCC3)C2)cc1 ZINC000849417449 1339156301 /nfs/dbraw/zinc/15/63/01/1339156301.db2.gz RFNQDHZKKJVLPF-OAHLLOKOSA-N 0 0 338.473 2.384 10 10 EECERN CON(C)C(=O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001612504831 1352308153 /nfs/dbraw/zinc/30/81/53/1352308153.db2.gz KRLCILBTFVRXQS-UHFFFAOYSA-N 0 0 343.339 2.258 10 10 EECERN O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC001615088925 1352322967 /nfs/dbraw/zinc/32/29/67/1352322967.db2.gz XVZIVDVVMDZQLU-HNNXBMFYSA-N 0 0 341.363 2.446 10 10 EECERN C[C@@H](C(=O)NCc1cccc(Br)c1O)c1cnccn1 ZINC001556481030 1342428865 /nfs/dbraw/zinc/42/88/65/1342428865.db2.gz KMRIUJGMMIPEOT-SECBINFHSA-N 0 0 336.189 2.365 10 10 EECERN C[C@@H](NC(=O)CCSc1ncnc2[nH]cnc21)c1ccccc1O ZINC001557966624 1342461206 /nfs/dbraw/zinc/46/12/06/1342461206.db2.gz KQTYAGRUIPKBAN-SNVBAGLBSA-N 0 0 343.412 2.418 10 10 EECERN NC(=O)N=Nc1ccc(C(=O)N[C@@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC001569427883 1342868833 /nfs/dbraw/zinc/86/88/33/1342868833.db2.gz SAJHKTVHZINQJL-HUUCEWRRSA-N 0 0 330.388 2.376 10 10 EECERN CC(C)=C(F)C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001583784860 1348708753 /nfs/dbraw/zinc/70/87/53/1348708753.db2.gz ATASJVQVMZCKGW-SNVBAGLBSA-N 0 0 349.366 2.347 10 10 EECERN O=C(CCc1nc(C2CCCC2)no1)NCc1cc(O)ccc1O ZINC001593873592 1349873297 /nfs/dbraw/zinc/87/32/97/1349873297.db2.gz SPSZJCDYCDYOSC-UHFFFAOYSA-N 0 0 331.372 2.387 10 10 EECERN O=C(Cc1ccc(O)c(O)c1)Oc1ccc(N2CCCC2=O)cc1 ZINC001624632803 1352426465 /nfs/dbraw/zinc/42/64/65/1352426465.db2.gz QWRVLPBWEHQABI-UHFFFAOYSA-N 0 0 327.336 2.373 10 10 EECERN CCc1nc2ccccc2n1CC(=O)NCc1ccc(O)cc1O ZINC001626837799 1352474456 /nfs/dbraw/zinc/47/44/56/1352474456.db2.gz FOSWYYJWFZWZHS-UHFFFAOYSA-N 0 0 325.368 2.326 10 10 EECERN COc1ccccc1OCCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001627410520 1352495220 /nfs/dbraw/zinc/49/52/20/1352495220.db2.gz CJRCPOHICFUOOU-UHFFFAOYSA-N 0 0 331.368 2.234 10 10 EECERN COc1ccc(OCCCNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001630949785 1352575096 /nfs/dbraw/zinc/57/50/96/1352575096.db2.gz LELZSVSZGJJNFD-UHFFFAOYSA-N 0 0 331.368 2.234 10 10 EECERN COC(=O)c1cc(F)cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001632681045 1352600806 /nfs/dbraw/zinc/60/08/06/1352600806.db2.gz LTPJACMPFNHFGJ-SNVBAGLBSA-N 0 0 347.342 2.385 10 10 EECERN NC(=O)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001637627983 1352679563 /nfs/dbraw/zinc/67/95/63/1352679563.db2.gz NQEQTTXAWUGIGL-CQSZACIVSA-N 0 0 339.355 2.196 10 10 EECERN COC(=O)c1cnc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC001643210989 1352742919 /nfs/dbraw/zinc/74/29/19/1352742919.db2.gz ZQKHNIANHBYXKV-DNQSNQRASA-N 0 0 348.380 2.232 10 10 EECERN O=C(NCc1cccc(Cn2ccnc2)c1)c1c(F)ccc(O)c1O ZINC001650697958 1354027130 /nfs/dbraw/zinc/02/71/30/1354027130.db2.gz ZWFAYRZRLXZWEQ-UHFFFAOYSA-N 0 0 341.342 2.412 10 10 EECERN Cn1cc(Br)cc1C(=O)NCc1cc(O)ccc1O ZINC001651222724 1354044707 /nfs/dbraw/zinc/04/47/07/1354044707.db2.gz NVGJQWMDZCDSMJ-UHFFFAOYSA-N 0 0 325.162 2.129 10 10 EECERN O=C(NCc1cccc(Cl)c1O)c1ccn(CCn2cccn2)n1 ZINC001653567373 1354127218 /nfs/dbraw/zinc/12/72/18/1354127218.db2.gz WQPPHNWDIVVLOX-UHFFFAOYSA-N 0 0 345.790 2.069 10 10 EECERN COC(=O)C[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)c1cccnc1 ZINC001654050935 1354139724 /nfs/dbraw/zinc/13/97/24/1354139724.db2.gz AQXBKBFKWIXSPK-GOSISDBHSA-N 0 0 344.367 2.010 10 10 EECERN COc1ccc(CNC(=O)c2cnc3ccnn3c2C(F)F)c(O)c1 ZINC001654515867 1354151004 /nfs/dbraw/zinc/15/10/04/1354151004.db2.gz CTQHTEDGGUKMAL-UHFFFAOYSA-N 0 0 348.309 2.311 10 10 EECERN CC(=O)N(C)c1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC001687084767 1358560329 /nfs/dbraw/zinc/56/03/29/1358560329.db2.gz AFCMVMHHNDFRMK-UHFFFAOYSA-N 0 0 327.384 2.374 10 10 EECERN CSC1(CNC(=O)NCc2c(O)cccc2F)CCOCC1 ZINC000920538583 770736430 /nfs/dbraw/zinc/73/64/30/770736430.db2.gz AVQRUEHTESZCRF-UHFFFAOYSA-N 0 0 328.409 2.243 10 10 EECERN O=S(=O)(NCc1c(O)cccc1F)c1ccc2c(c1)CCCO2 ZINC000921452185 773382414 /nfs/dbraw/zinc/38/24/14/773382414.db2.gz GVRLYARUJHVKPX-UHFFFAOYSA-N 0 0 337.372 2.335 10 10 EECERN CCN(CC)c1ccc(CNC(=O)NCCCn2ccnn2)cc1F ZINC000182570075 779290275 /nfs/dbraw/zinc/29/02/75/779290275.db2.gz MBZAFZQJXXTXCT-UHFFFAOYSA-N 0 0 348.426 2.153 10 10 EECERN FC(F)C[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000809712474 783329232 /nfs/dbraw/zinc/32/92/32/783329232.db2.gz OHACLGAVGIRVCE-INIZCTEOSA-N 0 0 326.387 2.379 10 10 EECERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CCCS1(=O)=O ZINC000906426946 783913480 /nfs/dbraw/zinc/91/34/80/783913480.db2.gz CXVGEYTVXGDWOD-KRWDZBQOSA-N 0 0 338.473 2.068 10 10 EECERN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(C2)CN(C)C(=O)O3)cc1 ZINC000817654961 784901818 /nfs/dbraw/zinc/90/18/18/784901818.db2.gz NBGIWWHQXSWOBU-UHFFFAOYSA-N 0 0 339.395 2.371 10 10 EECERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/[C@H]1CCCO1 ZINC000819040171 785371748 /nfs/dbraw/zinc/37/17/48/785371748.db2.gz WGWULWDWUXSXLS-GFOMBABLSA-N 0 0 330.428 2.217 10 10 EECERN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000819698780 785646846 /nfs/dbraw/zinc/64/68/46/785646846.db2.gz RVALNPWAMCQUEV-WBVHZDCISA-N 0 0 349.427 2.489 10 10 EECERN O=C([C@@H]1C[C@H]1c1c[nH]cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821195149 786630981 /nfs/dbraw/zinc/63/09/81/786630981.db2.gz MUXNMQQKPNZGGX-ARFHVFGLSA-N 0 0 341.411 2.427 10 10 EECERN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000708193796 786764468 /nfs/dbraw/zinc/76/44/68/786764468.db2.gz WUKYNCIPSBPCLV-WDEREUQCSA-N 0 0 336.613 2.048 10 10 EECERN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CCOC3(C)C)C2)cc1 ZINC000823661583 787858828 /nfs/dbraw/zinc/85/88/28/787858828.db2.gz YXXJXRUWDQONFN-YOEHRIQHSA-N 0 0 347.459 2.388 10 10 EECERN Cc1cc(C(=O)N2CCOC[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000912427973 788179976 /nfs/dbraw/zinc/17/99/76/788179976.db2.gz RECPVTAALCMHJB-KRWDZBQOSA-N 0 0 328.412 2.236 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)N[C@](C)(CO)C(C)C)C2)cc1 ZINC000824685951 788273781 /nfs/dbraw/zinc/27/37/81/788273781.db2.gz JMCJKPHBAVEMSN-DNVCBOLYSA-N 0 0 349.475 2.228 10 10 EECERN CN(C)c1ccc(CNC(=O)Nc2ccc3c(n2)OCCO3)cc1F ZINC000825033352 788406713 /nfs/dbraw/zinc/40/67/13/788406713.db2.gz LJVFBOYXYILOBE-UHFFFAOYSA-N 0 0 346.362 2.380 10 10 EECERN O=C(NCCc1ccc(O)c(O)c1)Nc1ccn(C2CCOCC2)n1 ZINC000825336477 788577655 /nfs/dbraw/zinc/57/76/55/788577655.db2.gz AKTCTLOSUDBONC-UHFFFAOYSA-N 0 0 346.387 2.010 10 10 EECERN CN(Cc1cc2n(n1)CCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000844272233 788963905 /nfs/dbraw/zinc/96/39/05/788963905.db2.gz VDIBBLJKVVCKHZ-UHFFFAOYSA-N 0 0 326.444 2.298 10 10 EECERN Cc1ccc(C)c(C[N@H+](C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)c1 ZINC000846253712 790105856 /nfs/dbraw/zinc/10/58/56/790105856.db2.gz FVKGQQKWQKJKBR-UHFFFAOYSA-N 0 0 340.383 2.382 10 10 EECERN O=S(=O)(CC1(F)CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000913937786 794607352 /nfs/dbraw/zinc/60/73/52/794607352.db2.gz AYTLOSXKWZKSHB-UHFFFAOYSA-N 0 0 344.477 2.161 10 10 EECERN Cc1nc([C@@H]2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)C2)no1 ZINC000915372935 795948932 /nfs/dbraw/zinc/94/89/32/795948932.db2.gz WCILXXFFIKWEGS-CYBMUJFWSA-N 0 0 347.394 2.282 10 10 EECERN Cc1cc(C(=O)COC(=O)CC(N)=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000787946387 807310335 /nfs/dbraw/zinc/31/03/35/807310335.db2.gz SXIHZTPZGQVYSE-UHFFFAOYSA-N 0 0 342.395 2.312 10 10 EECERN CCn1ncnc1CNCc1cc(C)cc(Br)c1O ZINC000793345485 810258734 /nfs/dbraw/zinc/25/87/34/810258734.db2.gz BNSJNODDRAIFHL-UHFFFAOYSA-N 0 0 325.210 2.364 10 10 EECERN COc1ccc(N2CC[C@H](CNC(=O)c3ncc(Cl)cn3)C2)cc1 ZINC001129993001 811080242 /nfs/dbraw/zinc/08/02/42/811080242.db2.gz DPBBVLJCRPPGIB-GFCCVEGCSA-N 0 0 346.818 2.395 10 10 EECERN CC(=O)C(=O)COC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000808498380 812666864 /nfs/dbraw/zinc/66/68/64/812666864.db2.gz MZYUXQGJJISABC-UHFFFAOYSA-N 0 0 336.731 2.024 10 10 EECERN CCCCc1ccc(N2C[C@@H](C(=O)OCC(=O)C(C)=O)CC2=O)cc1 ZINC000808500908 812673817 /nfs/dbraw/zinc/67/38/17/812673817.db2.gz CPOXGUBEZVSPFG-HNNXBMFYSA-N 0 0 345.395 2.083 10 10 EECERN CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000808550251 812717838 /nfs/dbraw/zinc/71/78/38/812717838.db2.gz ICTLDXMJSOSZIR-UHFFFAOYSA-N 0 0 340.257 2.206 10 10 EECERN