smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(-c2ccc(Br)cc2)cnc1SCCC(N)=O ZINC000014800787 695614985 /nfs/dbraw/zinc/61/49/85/695614985.db2.gz ANOMENXCTPEACS-UHFFFAOYSA-N 0 0 354.273 3.300 20 10 FGCDRN C[C@@H]1CCCC[C@@H]1NC(=S)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000018945378 695639316 /nfs/dbraw/zinc/63/93/16/695639316.db2.gz NWRCCPXPSBAEHF-APWZRJJASA-N 0 0 361.555 3.408 20 10 FGCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000044304139 695807235 /nfs/dbraw/zinc/80/72/35/695807235.db2.gz SAWYFWJDJNDGFA-UHFFFAOYSA-N 0 0 356.850 3.366 20 10 FGCDRN COc1ccc(CN(C)C(=O)[C@@H](C)Sc2nccs2)cc1OC ZINC000052914516 695925840 /nfs/dbraw/zinc/92/58/40/695925840.db2.gz IDLIWXMEDFJWTH-LLVKDONJSA-N 0 0 352.481 3.300 20 10 FGCDRN CC(C)CSCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000053360498 695929327 /nfs/dbraw/zinc/92/93/27/695929327.db2.gz CBXRGRMDESEBPX-HUUCEWRRSA-N 0 0 368.518 3.445 20 10 FGCDRN CN(C)c1ccc(CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1F ZINC000069719881 695952568 /nfs/dbraw/zinc/95/25/68/695952568.db2.gz DIEIPMAYMWAUOW-QGZVFWFLSA-N 0 0 365.836 3.078 20 10 FGCDRN Cc1cc(C(=O)NCC(=O)OCC2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000072078221 695959482 /nfs/dbraw/zinc/95/94/82/695959482.db2.gz DWROAJANXBRZLF-UHFFFAOYSA-N 0 0 360.841 3.431 20 10 FGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000074261821 700190800 /nfs/dbraw/zinc/19/08/00/700190800.db2.gz HCCVTYFDMLLLBG-GFCCVEGCSA-N 0 0 364.829 3.321 20 10 FGCDRN COc1ccc(N2CCN(Cn3nc(C4CC4)sc3=S)CC2)cc1 ZINC000074718948 700198078 /nfs/dbraw/zinc/19/80/78/700198078.db2.gz GQASUQZSTQOBKU-UHFFFAOYSA-N 0 0 362.524 3.340 20 10 FGCDRN CCCN(CCS(=O)(=O)c1cccc(OC)c1)Cc1ccccc1O ZINC000076074377 700223031 /nfs/dbraw/zinc/22/30/31/700223031.db2.gz OERQSZYVLJDYRL-UHFFFAOYSA-N 0 0 363.479 3.087 20 10 FGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(Cl)cc1 ZINC000076562899 700235282 /nfs/dbraw/zinc/23/52/82/700235282.db2.gz OAYCLWOAYHINIY-UHFFFAOYSA-N 0 0 358.825 3.179 20 10 FGCDRN O=C(NCCCSc1nccs1)c1cncc(Br)c1 ZINC000078713584 700285750 /nfs/dbraw/zinc/28/57/50/700285750.db2.gz XLTGIYWTOUMVTD-UHFFFAOYSA-N 0 0 358.286 3.213 20 10 FGCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)c(Br)c2)c1 ZINC000080097438 700309966 /nfs/dbraw/zinc/30/99/66/700309966.db2.gz GDTKUPDWGFITNF-UHFFFAOYSA-N 0 0 350.212 3.402 20 10 FGCDRN CC[C@@H](CSC)N(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000091216850 700418190 /nfs/dbraw/zinc/41/81/90/700418190.db2.gz QABQLMHNYZMDJF-INIZCTEOSA-N 0 0 365.543 3.447 20 10 FGCDRN CC(C)(CNC(=O)NCCCSc1nccs1)c1ccncc1 ZINC000092290007 700434067 /nfs/dbraw/zinc/43/40/67/700434067.db2.gz WQIGMYZMBZXVGB-UHFFFAOYSA-N 0 0 350.513 3.297 20 10 FGCDRN Fc1cc(CN2CCO[C@H](c3cccs3)C2)ccc1N1CCOCC1 ZINC000092594064 700438074 /nfs/dbraw/zinc/43/80/74/700438074.db2.gz WBFYNMTXJNTXKK-SFHVURJKSA-N 0 0 362.470 3.297 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Br)cn2)c1 ZINC000103528417 700486819 /nfs/dbraw/zinc/48/68/19/700486819.db2.gz VINVGNKSQTUXNQ-SECBINFHSA-N 0 0 351.200 3.049 20 10 FGCDRN CCCCCc1nnc(NC(=O)NCc2cccc(OC)c2O)s1 ZINC000104979280 700498113 /nfs/dbraw/zinc/49/81/13/700498113.db2.gz KIUGQXBMYCDYDQ-UHFFFAOYSA-N 0 0 350.444 3.307 20 10 FGCDRN COC(=O)CSCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000105603823 700503005 /nfs/dbraw/zinc/50/30/05/700503005.db2.gz HOFWDWBBLMWRAU-UHFFFAOYSA-N 0 0 360.479 3.039 20 10 FGCDRN CC1CCN(c2ccc(CNC(=O)c3ccc(C(N)=O)s3)cc2)CC1 ZINC000108295067 700524797 /nfs/dbraw/zinc/52/47/97/700524797.db2.gz IKBCTPOHIOXYPG-UHFFFAOYSA-N 0 0 357.479 3.013 20 10 FGCDRN COC(=O)CN(Cc1noc2c1CCCC2)Cc1cc(Cl)ccc1O ZINC000111238238 700546815 /nfs/dbraw/zinc/54/68/15/700546815.db2.gz GQJMYHMQIOMJJA-UHFFFAOYSA-N 0 0 364.829 3.088 20 10 FGCDRN O=C1[C@@H](N2CCCc3cc(OC(F)F)ccc32)CCN1CC(F)(F)F ZINC000111205937 700546963 /nfs/dbraw/zinc/54/69/63/700546963.db2.gz WVWSNHFAXFTUIN-ZDUSSCGKSA-N 0 0 364.314 3.204 20 10 FGCDRN Cc1ncc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000112240156 700557037 /nfs/dbraw/zinc/55/70/37/700557037.db2.gz OHIUGIRDUWESQT-NPQIQWPPSA-N 0 0 357.479 3.179 20 10 FGCDRN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000113343241 700570809 /nfs/dbraw/zinc/57/08/09/700570809.db2.gz WQHNUNUCGVYKER-GFCCVEGCSA-N 0 0 371.275 3.254 20 10 FGCDRN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000113343738 700571194 /nfs/dbraw/zinc/57/11/94/700571194.db2.gz WWUFKLXWUYYKRB-LBPRGKRZSA-N 0 0 371.821 3.053 20 10 FGCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(F)cc1F ZINC000114509549 700578453 /nfs/dbraw/zinc/57/84/53/700578453.db2.gz MPZFKZNOEMLNIA-INIZCTEOSA-N 0 0 372.755 3.229 20 10 FGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000116150695 700591299 /nfs/dbraw/zinc/59/12/99/700591299.db2.gz XOIGJDBBBIYDKS-UHFFFAOYSA-N 0 0 351.765 3.383 20 10 FGCDRN C[C@H](NC(=O)N1CCS[C@@H](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000118475845 700610911 /nfs/dbraw/zinc/61/09/11/700610911.db2.gz UXTICQBQOCRSHT-JYJNAYRXSA-N 0 0 363.527 3.120 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000118785892 700614527 /nfs/dbraw/zinc/61/45/27/700614527.db2.gz XUYYTZXCLNGAKD-JTQLQIEISA-N 0 0 364.785 3.382 20 10 FGCDRN CSC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000118994255 700617431 /nfs/dbraw/zinc/61/74/31/700617431.db2.gz OQDBTSSCRBPLDV-YJBOKZPZSA-N 0 0 363.527 3.121 20 10 FGCDRN COc1cccc(OC)c1CC(=O)NCCCSc1nccs1 ZINC000120290036 700652333 /nfs/dbraw/zinc/65/23/33/700652333.db2.gz QGFCSGIDRRXHTO-UHFFFAOYSA-N 0 0 352.481 3.001 20 10 FGCDRN O=C(c1c(F)cccc1F)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000120683969 700658486 /nfs/dbraw/zinc/65/84/86/700658486.db2.gz UMIAFEHDVMEGRT-UHFFFAOYSA-N 0 0 366.795 3.282 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](O)c1ccccc1 ZINC000120988984 700663419 /nfs/dbraw/zinc/66/34/19/700663419.db2.gz JSFHKLQFCUJHPK-INIZCTEOSA-N 0 0 364.239 3.237 20 10 FGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000122585630 700692558 /nfs/dbraw/zinc/69/25/58/700692558.db2.gz WNOIWKNZHOAFGV-UHFFFAOYSA-N 0 0 358.781 3.379 20 10 FGCDRN CC[S@@](=O)c1ccccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000123933620 700712502 /nfs/dbraw/zinc/71/25/02/700712502.db2.gz SCTYNNQURJWCDV-VWLOTQADSA-N 0 0 356.491 3.127 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cncc(Br)c2)c1 ZINC000126505284 700749241 /nfs/dbraw/zinc/74/92/41/700749241.db2.gz BIFOFCFGTPSCIE-SECBINFHSA-N 0 0 366.215 3.441 20 10 FGCDRN CCCSCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000130755194 700806006 /nfs/dbraw/zinc/80/60/06/700806006.db2.gz LEMFNFHUWAUJPM-GOSISDBHSA-N 0 0 350.528 3.403 20 10 FGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000135700355 704852017 /nfs/dbraw/zinc/85/20/17/704852017.db2.gz OPHYWRQTQKIDQY-QGZVFWFLSA-N 0 0 359.495 3.406 20 10 FGCDRN O=C(NCCCSc1nccs1)N1CCO[C@@H](c2cccs2)C1 ZINC000137889532 704871367 /nfs/dbraw/zinc/87/13/67/704871367.db2.gz WAMCVLARJSVSQD-GFCCVEGCSA-N 0 0 369.537 3.470 20 10 FGCDRN CCCCc1nnc(NC(=O)CN(C)c2ccc(OC)c(F)c2)s1 ZINC000138408624 704873906 /nfs/dbraw/zinc/87/39/06/704873906.db2.gz WDJAWQYBEVUWBI-UHFFFAOYSA-N 0 0 352.435 3.103 20 10 FGCDRN CC(C)CCC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000150896239 704904228 /nfs/dbraw/zinc/90/42/28/704904228.db2.gz ITVZVFPZGVRRLA-UHFFFAOYSA-N 0 0 368.499 3.052 20 10 FGCDRN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)NCCCSc1nccs1 ZINC000154562809 705039375 /nfs/dbraw/zinc/03/93/75/705039375.db2.gz OLZLSELMONVBLN-NWDGAFQWSA-N 0 0 355.485 3.030 20 10 FGCDRN O=C(NCCCSc1nccs1)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000154633620 705042359 /nfs/dbraw/zinc/04/23/59/705042359.db2.gz DGZVRGZMLUIMGV-CYBMUJFWSA-N 0 0 371.915 3.312 20 10 FGCDRN O=C(CSc1nc2ccccc2s1)NCCc1ccc(O)c(O)c1 ZINC000156636051 705125518 /nfs/dbraw/zinc/12/55/18/705125518.db2.gz SFJRVUFQUGJUND-UHFFFAOYSA-N 0 0 360.460 3.159 20 10 FGCDRN Cc1ccccc1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000158120366 705173435 /nfs/dbraw/zinc/17/34/35/705173435.db2.gz NBXTVAGZYOUVRN-QGZVFWFLSA-N 0 0 361.463 3.071 20 10 FGCDRN O=S(=O)(N(Cc1ccccc1O)C1CCCCC1)N1CCCCC1 ZINC000158137430 705173815 /nfs/dbraw/zinc/17/38/15/705173815.db2.gz RQOLMXRQCOXPPH-UHFFFAOYSA-N 0 0 352.500 3.258 20 10 FGCDRN COc1ccc(O)c(CNC(=O)NCCOCc2ccc(Cl)cc2)c1 ZINC000158551593 705190474 /nfs/dbraw/zinc/19/04/74/705190474.db2.gz OEVAYFQXXMFFKE-UHFFFAOYSA-N 0 0 364.829 3.070 20 10 FGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(Br)ccc1Cl ZINC000158897537 705203597 /nfs/dbraw/zinc/20/35/97/705203597.db2.gz KRIRUPCKAUYNHR-UHFFFAOYSA-N 0 0 356.603 3.444 20 10 FGCDRN O=C(C[C@H]1CSCCS1)NCc1ccc(N2CCSCC2)cc1 ZINC000159025174 705208031 /nfs/dbraw/zinc/20/80/31/705208031.db2.gz GFYYFYZPESCNAS-INIZCTEOSA-N 0 0 368.593 3.095 20 10 FGCDRN COc1cccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1O ZINC000161109592 705269068 /nfs/dbraw/zinc/26/90/68/705269068.db2.gz PPSXUZFHEJFQGC-UHFFFAOYSA-N 0 0 362.234 3.186 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000161168763 705269736 /nfs/dbraw/zinc/26/97/36/705269736.db2.gz JCVPYVGSAWDQTE-CYBMUJFWSA-N 0 0 359.447 3.369 20 10 FGCDRN CC(C)n1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cn1 ZINC000161758923 705282166 /nfs/dbraw/zinc/28/21/66/705282166.db2.gz HLLLPELGVHVZHH-UHFFFAOYSA-N 0 0 363.483 3.303 20 10 FGCDRN CC1(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000161806681 705283628 /nfs/dbraw/zinc/28/36/28/705283628.db2.gz FCKZZHZZQHXPEW-ZDUSSCGKSA-N 0 0 353.413 3.499 20 10 FGCDRN COc1cccc(CNC(=O)c2cc(F)c(F)cc2Br)c1O ZINC000162851355 705304507 /nfs/dbraw/zinc/30/45/07/705304507.db2.gz YZGBJUIBBDGIOL-UHFFFAOYSA-N 0 0 372.165 3.372 20 10 FGCDRN Cn1ccc(N2CCC[C@@H](Sc3ncc(C(C)(C)C)s3)C2=O)n1 ZINC000164317300 705328039 /nfs/dbraw/zinc/32/80/39/705328039.db2.gz YCCHNWSSMUBNDP-LLVKDONJSA-N 0 0 350.513 3.462 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Br)nc2)c1 ZINC000166055812 705342294 /nfs/dbraw/zinc/34/22/94/705342294.db2.gz TVBHCPFGLVPYPD-VIFPVBQESA-N 0 0 366.215 3.441 20 10 FGCDRN CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccc(Br)nc1 ZINC000173114983 705446034 /nfs/dbraw/zinc/44/60/34/705446034.db2.gz GYXDRHVTSSTVHY-RMKNXTFCSA-N 0 0 369.222 3.464 20 10 FGCDRN CC[C@H](C)CS(=O)(=O)N(CC)Cc1cc(Br)ccc1O ZINC000174065414 705485391 /nfs/dbraw/zinc/48/53/91/705485391.db2.gz CGKRTRNOZZGNTC-NSHDSACASA-N 0 0 364.305 3.353 20 10 FGCDRN CCn1cc(N2C(=O)/C(=C/c3ccc(COC)cc3)SC2=S)cn1 ZINC000174912383 705524768 /nfs/dbraw/zinc/52/47/68/705524768.db2.gz SJJIEGYNJCWQSZ-NVNXTCNLSA-N 0 0 359.476 3.455 20 10 FGCDRN COC(C)(C)C[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000175675793 705555860 /nfs/dbraw/zinc/55/58/60/705555860.db2.gz AXCLYSVMEKOPFC-HNNXBMFYSA-N 0 0 365.543 3.243 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(OC)ccn1 ZINC000175850963 705561469 /nfs/dbraw/zinc/56/14/69/705561469.db2.gz JKDDHQJRKMLHJQ-UHFFFAOYSA-N 0 0 365.227 3.221 20 10 FGCDRN O=C(NCCCSc1nccs1)Nc1ccc(-n2nccn2)cc1 ZINC000177237042 705614087 /nfs/dbraw/zinc/61/40/87/705614087.db2.gz CFGXNBJRFLTOSH-UHFFFAOYSA-N 0 0 360.468 3.028 20 10 FGCDRN Cc1ccc(NC(=O)C(=O)NCCCSc2nccs2)c(Cl)c1 ZINC000177763642 705638410 /nfs/dbraw/zinc/63/84/10/705638410.db2.gz GUNZZNYBXUMVTJ-UHFFFAOYSA-N 0 0 369.899 3.342 20 10 FGCDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181152525 705774759 /nfs/dbraw/zinc/77/47/59/705774759.db2.gz MECVNXGFGFSZEB-JWKPAUHVSA-N 0 0 359.447 3.068 20 10 FGCDRN O=S1(=O)CCN(Cc2cc3c(cc2O)CCCC3)Cc2ccccc21 ZINC000185196855 712688089 /nfs/dbraw/zinc/68/80/89/712688089.db2.gz HIRKUHZDEVPJHB-UHFFFAOYSA-N 0 0 357.475 3.061 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](CO)CC(C)C)cc1F ZINC000185399597 712693990 /nfs/dbraw/zinc/69/39/90/712693990.db2.gz WDGKGQAEUVBOLY-MRXNPFEDSA-N 0 0 353.482 3.220 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000186272725 712713865 /nfs/dbraw/zinc/71/38/65/712713865.db2.gz LUVBYKREPUAFMN-QANKJYHBSA-N 0 0 350.459 3.355 20 10 FGCDRN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C)c(C)c1O ZINC000187058158 712731595 /nfs/dbraw/zinc/73/15/95/712731595.db2.gz DHKOYSDOKHBZLF-UHFFFAOYSA-N 0 0 368.386 3.474 20 10 FGCDRN 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356.447 3.210 20 10 FGCDRN O=C(C1=CC(=O)CS1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000751412769 722805033 /nfs/dbraw/zinc/80/50/33/722805033.db2.gz ABDYXYMGBPTATC-CYBMUJFWSA-N 0 0 356.447 3.210 20 10 FGCDRN CCn1c(/C=C/c2cn[nH]c2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 ZINC000751525577 722811577 /nfs/dbraw/zinc/81/15/77/722811577.db2.gz XIOWEXLAJFDWIV-ZZXKWVIFSA-N 0 0 370.356 3.243 20 10 FGCDRN COC(=O)COc1ccc(N(C)Cc2cnc3ccc(Cl)cn23)cc1 ZINC000753592246 722905805 /nfs/dbraw/zinc/90/58/05/722905805.db2.gz UDUZZIFKKAMOQC-UHFFFAOYSA-N 0 0 359.813 3.176 20 10 FGCDRN Cc1cc(O)c(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1C(C)C ZINC000754009299 722923038 /nfs/dbraw/zinc/92/30/38/722923038.db2.gz HHQFQGQASQAGSU-MJGOQNOKSA-N 0 0 351.512 3.366 20 10 FGCDRN CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CCC1 ZINC000754104973 722927746 /nfs/dbraw/zinc/92/77/46/722927746.db2.gz NYZQNLGGEYXGLQ-JTQLQIEISA-N 0 0 373.266 3.251 20 10 FGCDRN COc1cc(C)cc(CN2CCCc3ccc(S(C)(=O)=O)cc32)c1O ZINC000754730705 722945048 /nfs/dbraw/zinc/94/50/48/722945048.db2.gz WQBJTXKGEWBHQT-UHFFFAOYSA-N 0 0 361.463 3.066 20 10 FGCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000755934053 722958719 /nfs/dbraw/zinc/95/87/19/722958719.db2.gz LMYLUNOQJKHNNP-UHFFFAOYSA-N 0 0 356.850 3.366 20 10 FGCDRN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756355681 722963387 /nfs/dbraw/zinc/96/33/87/722963387.db2.gz VJEKXIVFWXUBTI-LRDDRELGSA-N 0 0 368.449 3.456 20 10 FGCDRN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756355686 722963398 /nfs/dbraw/zinc/96/33/98/722963398.db2.gz VJEKXIVFWXUBTI-WBMJQRKESA-N 0 0 368.449 3.456 20 10 FGCDRN CCN(CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC(C)(C)C ZINC000756529242 722966234 /nfs/dbraw/zinc/96/62/34/722966234.db2.gz QLOICAFNNGBACN-GFCCVEGCSA-N 0 0 353.419 3.208 20 10 FGCDRN C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756535770 722966401 /nfs/dbraw/zinc/96/64/01/722966401.db2.gz RBDOXRMIMYRAPL-GFCCVEGCSA-N 0 0 353.419 3.208 20 10 FGCDRN C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756541641 722966464 /nfs/dbraw/zinc/96/64/64/722966464.db2.gz GIOFZZSZOLZGLV-GXSJLCMTSA-N 0 0 359.319 3.039 20 10 FGCDRN C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cc(F)cc(F)c1[O-] ZINC000756577032 722967147 /nfs/dbraw/zinc/96/71/47/722967147.db2.gz XHRKPVDWUJZHHP-SNVBAGLBSA-N 0 0 354.784 3.404 20 10 FGCDRN C[C@H]([NH2+]CCNc1ccccn1)c1cc(Br)cc(F)c1[O-] ZINC000756604885 722967629 /nfs/dbraw/zinc/96/76/29/722967629.db2.gz HCSYFQHZFBSJKI-JTQLQIEISA-N 0 0 354.223 3.452 20 10 FGCDRN C[C@H]([NH2+]CCNc1cnccn1)c1cc(Br)cc(Cl)c1[O-] ZINC000756645462 722968089 /nfs/dbraw/zinc/96/80/89/722968089.db2.gz GDLFKTJFFLOJGP-VIFPVBQESA-N 0 0 371.666 3.361 20 10 FGCDRN CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756682110 722968710 /nfs/dbraw/zinc/96/87/10/722968710.db2.gz MUMKBOXCFGAOHR-NSHDSACASA-N 0 0 350.365 3.358 20 10 FGCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756711149 722968925 /nfs/dbraw/zinc/96/89/25/722968925.db2.gz IRIPEAUXIBDRRW-MEBBXXQBSA-N 0 0 350.340 3.266 20 10 FGCDRN CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756733331 722969296 /nfs/dbraw/zinc/96/92/96/722969296.db2.gz PIYUTTCBIGGJOE-VIFPVBQESA-N 0 0 373.682 3.313 20 10 FGCDRN C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756761928 722969707 /nfs/dbraw/zinc/96/97/07/722969707.db2.gz NCWFDRUWCFRVSE-SECBINFHSA-N 0 0 352.283 3.174 20 10 FGCDRN CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])[nH]1 ZINC000756779206 722970034 /nfs/dbraw/zinc/97/00/34/722970034.db2.gz RAOQPSPQKXRYNN-HTQZYQBOSA-N 0 0 357.227 3.386 20 10 FGCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756865967 722970924 /nfs/dbraw/zinc/97/09/24/722970924.db2.gz WBFSVVBHUQFSGO-UKRRQHHQSA-N 0 0 350.415 3.417 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(F)c(F)c2F)c1 ZINC000757653412 722977929 /nfs/dbraw/zinc/97/79/29/722977929.db2.gz HGOAZLXOIRYDAI-JTQLQIEISA-N 0 0 353.340 3.489 20 10 FGCDRN COc1ccc(N(C)CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)cc1Cl ZINC000757855475 722980480 /nfs/dbraw/zinc/98/04/80/722980480.db2.gz BWFZLRDUNGFWFJ-LBPRGKRZSA-N 0 0 362.861 3.013 20 10 FGCDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000758165933 722985330 /nfs/dbraw/zinc/98/53/30/722985330.db2.gz PEZSSWBWMBIASE-UHFFFAOYSA-N 0 0 356.787 3.371 20 10 FGCDRN Cc1nnc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)s1 ZINC000758336011 722988237 /nfs/dbraw/zinc/98/82/37/722988237.db2.gz ADYBLCALOASHOJ-UHFFFAOYSA-N 0 0 356.451 3.348 20 10 FGCDRN CC(C)(C)[C@@H](NC(=O)COC(=O)c1cccc(O)c1O)c1cccs1 ZINC000758560655 722991747 /nfs/dbraw/zinc/99/17/47/722991747.db2.gz ILEVJZGOZJRRCU-INIZCTEOSA-N 0 0 363.435 3.220 20 10 FGCDRN COC(=O)C[C@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc21 ZINC000759159395 723000636 /nfs/dbraw/zinc/00/06/36/723000636.db2.gz UJAUODSTSDGARY-LEJCZOIISA-N 0 0 356.809 3.442 20 10 FGCDRN O=C(NCCCSc1nccs1)NCCc1cccc([N+](=O)[O-])c1 ZINC000759557172 723008804 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CCOc1ccc(O)c(CNc2cc(Cl)cc(C(N)=O)c2OC)c1 ZINC000790651154 723163911 /nfs/dbraw/zinc/16/39/11/723163911.db2.gz CQIHRWDBGCKXOM-UHFFFAOYSA-N 0 0 350.802 3.164 20 10 FGCDRN COc1ccc(N(C)Cc2c(Br)c(C)nn2C)cc1OC ZINC000790920963 723193481 /nfs/dbraw/zinc/19/34/81/723193481.db2.gz DJBOXNIJQWOYRK-UHFFFAOYSA-N 0 0 354.248 3.145 20 10 FGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000790971105 723200836 /nfs/dbraw/zinc/20/08/36/723200836.db2.gz OTGZYSOAYJWEOJ-UHFFFAOYSA-N 0 0 368.811 3.450 20 10 FGCDRN CN1CC(=O)N(c2cccc(NCc3c(O)ccc(Cl)c3F)c2)C1=O ZINC000790976581 723201337 /nfs/dbraw/zinc/20/13/37/723201337.db2.gz SPDVAPZQUPMCSP-UHFFFAOYSA-N 0 0 363.776 3.195 20 10 FGCDRN O=C1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CN1c1c(F)cccc1F ZINC000790982673 723202232 /nfs/dbraw/zinc/20/22/32/723202232.db2.gz WPONMBJLPIWACL-SECBINFHSA-N 0 0 370.758 3.358 20 10 FGCDRN C[C@H]1CCCN(C(=O)C2=CC(=O)CS2)[C@H]1CNC(=O)OC(C)(C)C ZINC000762573836 723256809 /nfs/dbraw/zinc/25/68/09/723256809.db2.gz 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ZINC000272756618 497721752 /nfs/dbraw/zinc/72/17/52/497721752.db2.gz UQKGFEXTFKPHDA-UHFFFAOYSA-N 0 0 355.398 3.252 20 10 FGCDRN C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191189315 497737553 /nfs/dbraw/zinc/73/75/53/497737553.db2.gz ZZNXFWMJOSWQHT-KBXCAEBGSA-N 0 0 362.420 3.395 20 10 FGCDRN Cc1cc(NC(=O)C2CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)no1 ZINC000191203084 497742827 /nfs/dbraw/zinc/74/28/27/497742827.db2.gz HGQGEYPBRYTDBX-UHFFFAOYSA-N 0 0 367.808 3.332 20 10 FGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000273128336 497802142 /nfs/dbraw/zinc/80/21/42/497802142.db2.gz BCEKMLVLSUFWPB-KBXCAEBGSA-N 0 0 371.433 3.017 20 10 FGCDRN O=C(NCc1ccccc1O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000263671281 497807319 /nfs/dbraw/zinc/80/73/19/497807319.db2.gz CAUVJBSYCMMUKO-UHFFFAOYSA-N 0 0 358.413 3.079 20 10 FGCDRN CC(C)(C)OC(=O)NCCCCCCC(=O)NCc1ccccc1O ZINC000299566117 497850398 /nfs/dbraw/zinc/85/03/98/497850398.db2.gz OIWGVAMZCFIMIN-UHFFFAOYSA-N 0 0 350.459 3.484 20 10 FGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1C[C@H](CO)c2ccccc21 ZINC000364272506 497872946 /nfs/dbraw/zinc/87/29/46/497872946.db2.gz QXEPMCAJJSNABT-QRWLVFNGSA-N 0 0 366.461 3.291 20 10 FGCDRN COc1ccc(O)c([C@H](C)Nc2cc(C)nc3nc(C(F)(F)F)nn32)c1 ZINC000301172822 497983144 /nfs/dbraw/zinc/98/31/44/497983144.db2.gz FMXGRLYEDIJHDH-VIFPVBQESA-N 0 0 367.331 3.339 20 10 FGCDRN COc1ccc(O)c([C@@H](C)Nc2nc(N(C)C)cc(C(F)(F)F)n2)c1 ZINC000301208504 498001141 /nfs/dbraw/zinc/00/11/41/498001141.db2.gz SUTLISQBODLLMA-SECBINFHSA-N 0 0 356.348 3.449 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000296456492 498051155 /nfs/dbraw/zinc/05/11/55/498051155.db2.gz NAVWUPGZGZFMKH-SNVBAGLBSA-N 0 0 354.328 3.443 20 10 FGCDRN C[C@H](c1nc(N)nc(Cl)n1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000296460029 498051832 /nfs/dbraw/zinc/05/18/32/498051832.db2.gz JIFBQEHGHHVFQJ-CYBMUJFWSA-N 0 0 360.893 3.291 20 10 FGCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2cc1CO ZINC000301317260 498054008 /nfs/dbraw/zinc/05/40/08/498054008.db2.gz AWAVPOJJXOFTQL-UHFFFAOYSA-N 0 0 363.461 3.200 20 10 FGCDRN COC(=O)C12CCC(C(=O)NCc3ccc(N(C)C)c(F)c3)(CC1)CC2 ZINC000292639044 498088997 /nfs/dbraw/zinc/08/89/97/498088997.db2.gz JGNNKXOYYXLERM-UHFFFAOYSA-N 0 0 362.445 3.022 20 10 FGCDRN CCOc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000301423240 498103937 /nfs/dbraw/zinc/10/39/37/498103937.db2.gz AIYFZTTVPWHQHN-UHFFFAOYSA-N 0 0 357.410 3.442 20 10 FGCDRN CC(C)c1nsc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000301434313 498108946 /nfs/dbraw/zinc/10/89/46/498108946.db2.gz IMFMDKSIWWJTIL-UHFFFAOYSA-N 0 0 350.463 3.374 20 10 FGCDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000364724661 498114626 /nfs/dbraw/zinc/11/46/26/498114626.db2.gz RFTDATXXNIRYMY-OAHLLOKOSA-N 0 0 366.509 3.207 20 10 FGCDRN C[C@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccc(F)c(F)c1[O-] ZINC000364806259 498152762 /nfs/dbraw/zinc/15/27/62/498152762.db2.gz JNKOHTJKCKYJNX-AWEZNQCLSA-N 0 0 361.436 3.423 20 10 FGCDRN Cc1nc2c(c(NCc3ccc(N4CCC(O)CC4)c(F)c3)n1)CCCC2 ZINC000301540954 498154952 /nfs/dbraw/zinc/15/49/52/498154952.db2.gz CHGOTTBWYZMEDY-UHFFFAOYSA-N 0 0 370.472 3.376 20 10 FGCDRN C[S@](=O)C1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000281615311 498214535 /nfs/dbraw/zinc/21/45/35/498214535.db2.gz BPGIJIJGLKWDNN-VWLOTQADSA-N 0 0 364.511 3.148 20 10 FGCDRN CC(=O)N(c1ccc(NCc2cc3c(cc2O)OCO3)cc1)[C@@H]1C[C@@H]1C ZINC000293138544 498282280 /nfs/dbraw/zinc/28/22/80/498282280.db2.gz TZOIULIXLUSSOO-YVEFUNNKSA-N 0 0 354.406 3.494 20 10 FGCDRN CSC1(C(=O)NC[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000365072845 498283985 /nfs/dbraw/zinc/28/39/85/498283985.db2.gz SAAQSIFMJNRTMA-LBPRGKRZSA-N 0 0 374.428 3.423 20 10 FGCDRN CNC(=O)Oc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000297048422 498302134 /nfs/dbraw/zinc/30/21/34/498302134.db2.gz LTUIWLQEYWFZHD-UHFFFAOYSA-N 0 0 369.421 3.311 20 10 FGCDRN Cc1cncc(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000293267375 498325437 /nfs/dbraw/zinc/32/54/37/498325437.db2.gz FKWUEBHIABBXKY-LJQANCHMSA-N 0 0 354.450 3.236 20 10 FGCDRN CN1CCc2ncnc(N3CC=C(c4cncc5ccccc54)CC3)c2C1 ZINC000365295829 498392193 /nfs/dbraw/zinc/39/21/93/498392193.db2.gz ZNDVXJHKKMAWAC-UHFFFAOYSA-N 0 0 357.461 3.306 20 10 FGCDRN COCCOCc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000290016335 498395005 /nfs/dbraw/zinc/39/50/05/498395005.db2.gz WOJWOHZTCWAISK-GHRIWEEISA-N 0 0 360.479 3.306 20 10 FGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000293565568 498413922 /nfs/dbraw/zinc/41/39/22/498413922.db2.gz VFNOUFDTNBADDU-SOZUMNATSA-N 0 0 361.463 3.157 20 10 FGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(C2CC2)ccn1 ZINC000290170373 498451774 /nfs/dbraw/zinc/45/17/74/498451774.db2.gz RSKFYBCEXVABFX-UHFFFAOYSA-N 0 0 352.438 3.117 20 10 FGCDRN COc1cccc(CNC(=O)Nc2noc(-c3ccccc3F)c2C)c1O ZINC000365468597 498482987 /nfs/dbraw/zinc/48/29/87/498482987.db2.gz FGUSFUSKBGMDIK-UHFFFAOYSA-N 0 0 371.368 3.247 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cn3c(n2)CCCC3)cc1 ZINC000365472975 498484768 /nfs/dbraw/zinc/48/47/68/498484768.db2.gz LDJCKRMQEULQIU-UHFFFAOYSA-N 0 0 369.513 3.407 20 10 FGCDRN O=C(C[C@@H]1CCOC1)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000365502980 498501301 /nfs/dbraw/zinc/50/13/01/498501301.db2.gz ZLTAYUMMSVQSJI-ZDUSSCGKSA-N 0 0 372.387 3.097 20 10 FGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000282419560 498505322 /nfs/dbraw/zinc/50/53/22/498505322.db2.gz GPNNHVMMTPLMOG-UHFFFAOYSA-N 0 0 354.406 3.166 20 10 FGCDRN CN(Cc1ccccc1O)c1cc(N(C)Cc2ccccc2O)ncn1 ZINC000302601524 498515487 /nfs/dbraw/zinc/51/54/87/498515487.db2.gz CFXNZOIXLRVYAK-UHFFFAOYSA-N 0 0 350.422 3.161 20 10 FGCDRN Fc1ccc([C@@H](NCc2ccc(N3CCCC3)cc2)c2nc[nH]n2)cc1 ZINC000293889349 498523965 /nfs/dbraw/zinc/52/39/65/498523965.db2.gz VUWHLIZAYJJDFZ-LJQANCHMSA-N 0 0 351.429 3.423 20 10 FGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000282468300 498524274 /nfs/dbraw/zinc/52/42/74/498524274.db2.gz KNQDDYWQVBTZQD-UHFFFAOYSA-N 0 0 350.422 3.415 20 10 FGCDRN CN(C)c1ccc(CN(C(=O)c2ccnn2CC(F)(F)F)C2CC2)cc1 ZINC000294252272 498634202 /nfs/dbraw/zinc/63/42/02/498634202.db2.gz GADBGSSFJKFTKM-UHFFFAOYSA-N 0 0 366.387 3.316 20 10 FGCDRN CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c(O)c1 ZINC000363176235 498686170 /nfs/dbraw/zinc/68/61/70/498686170.db2.gz GZDJDGMXUMPKLH-LAUBAEHRSA-N 0 0 372.513 3.087 20 10 FGCDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)N1CCC[C@H](O)CC1 ZINC000294564679 498731497 /nfs/dbraw/zinc/73/14/97/498731497.db2.gz MNCDPSVJHKGDTM-CCWVLBSLSA-N 0 0 366.421 3.414 20 10 FGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCOc2cc(O)ccc2C1 ZINC000287413447 498747390 /nfs/dbraw/zinc/74/73/90/498747390.db2.gz DENUPNLCWSTXQB-UHFFFAOYSA-N 0 0 367.449 3.097 20 10 FGCDRN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N(C)Cc1ccccc1O ZINC000363327169 498763230 /nfs/dbraw/zinc/76/32/30/498763230.db2.gz KPDTVSODCYPJOJ-UHFFFAOYSA-N 0 0 368.412 3.367 20 10 FGCDRN Cc1cc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c(C)n1-c1ccccn1 ZINC000291071108 498781521 /nfs/dbraw/zinc/78/15/21/498781521.db2.gz XDPKFDLDFLAGNC-INIZCTEOSA-N 0 0 369.856 3.426 20 10 FGCDRN COc1cccc([C@@H](NC(=O)c2cccc(O)c2O)c2ccccn2)c1 ZINC000366166069 498804034 /nfs/dbraw/zinc/80/40/34/498804034.db2.gz AQIOWGIKRZIRAM-GOSISDBHSA-N 0 0 350.374 3.021 20 10 FGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC([C@H]4CCOC4)C3)c2C)cc1 ZINC000366261858 498847720 /nfs/dbraw/zinc/84/77/20/498847720.db2.gz UPNBCNGQQXMFCE-INIZCTEOSA-N 0 0 354.450 3.211 20 10 FGCDRN CCOc1ncccc1C(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000363631228 498915099 /nfs/dbraw/zinc/91/50/99/498915099.db2.gz IRPVITYPHJRKGR-UHFFFAOYSA-N 0 0 369.465 3.230 20 10 FGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(C)c(C)s1 ZINC000283560516 498923804 /nfs/dbraw/zinc/92/38/04/498923804.db2.gz IVYQKKULIWZAMP-UHFFFAOYSA-N 0 0 361.467 3.233 20 10 FGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000366453075 498933600 /nfs/dbraw/zinc/93/36/00/498933600.db2.gz NGVWXAQPAVGRRW-HSTAZWAASA-N 0 0 351.402 3.107 20 10 FGCDRN CNC(=O)c1ccc(NC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)cc1 ZINC000363710459 498954957 /nfs/dbraw/zinc/95/49/57/498954957.db2.gz HKCCUQMBKAEPSV-UHFFFAOYSA-N 0 0 364.449 3.043 20 10 FGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(F)c1F ZINC000283696117 498960220 /nfs/dbraw/zinc/96/02/20/498960220.db2.gz ULJUZOJNESWAGC-UHFFFAOYSA-N 0 0 362.376 3.438 20 10 FGCDRN COc1ccc(N2CCC(N(C)C(=O)Cc3ccc(O)cc3)CC2)cc1 ZINC000363879998 499037430 /nfs/dbraw/zinc/03/74/30/499037430.db2.gz RCUSSGSUFWGLHG-UHFFFAOYSA-N 0 0 354.450 3.071 20 10 FGCDRN C[C@H]1CN(c2ccc(NC(=O)NCc3ccccc3O)cc2)C[C@H](C)O1 ZINC000299467859 499067569 /nfs/dbraw/zinc/06/75/69/499067569.db2.gz BWMOZJBGWIGERV-GJZGRUSLSA-N 0 0 355.438 3.328 20 10 FGCDRN Cc1nn(C)c2cc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)ccc12 ZINC000291902418 499097814 /nfs/dbraw/zinc/09/78/14/499097814.db2.gz XGKRZVRHDVUCSV-LLVKDONJSA-N 0 0 354.410 3.046 20 10 FGCDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2-n2cccn2)c(O)c1 ZINC000369865031 499141161 /nfs/dbraw/zinc/14/11/61/499141161.db2.gz QFFUVHSVWPWZAK-AWEZNQCLSA-N 0 0 366.421 3.147 20 10 FGCDRN C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000369903598 499148748 /nfs/dbraw/zinc/14/87/48/499148748.db2.gz ZMNJXTOYPQZLOH-KNHMANMVSA-N 0 0 374.250 3.283 20 10 FGCDRN CC1CCN(c2ccc(CNC(=O)N3CCCC[C@H](CO)C3)cc2)CC1 ZINC000369984814 499161345 /nfs/dbraw/zinc/16/13/45/499161345.db2.gz JWFRPZVERMBFSM-IBGZPJMESA-N 0 0 359.514 3.227 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(=O)Nc2ccccc21 ZINC000370136920 499186094 /nfs/dbraw/zinc/18/60/94/499186094.db2.gz VZIWFSZGCUPANE-MRXNPFEDSA-N 0 0 367.449 3.440 20 10 FGCDRN COc1ccc(C(=O)N2CC[S@@](=O)CC[C@@H]2C)cc1-n1c(C)ccc1C ZINC000372882349 499188943 /nfs/dbraw/zinc/18/89/43/499188943.db2.gz SVUJJDGPTVXEON-RXBISOJRSA-N 0 0 374.506 3.086 20 10 FGCDRN CCCOc1ccc(CN[C@@H](c2nc(C)no2)C2CCOCC2)c(O)c1 ZINC000370158408 499189583 /nfs/dbraw/zinc/18/95/83/499189583.db2.gz CLHFEYQZNAVLCE-GOSISDBHSA-N 0 0 361.442 3.130 20 10 FGCDRN COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377893 499191461 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/nfs/dbraw/zinc/53/85/18/723538518.db2.gz SIQXBTZNGCYMTC-UHFFFAOYSA-N 0 0 356.603 3.444 20 10 FGCDRN CC(C)(C)c1nnsc1C(=O)NCc1cccc(Br)c1O ZINC000765945446 723547996 /nfs/dbraw/zinc/54/79/96/723547996.db2.gz YYROMPHLQHBJAZ-UHFFFAOYSA-N 0 0 370.272 3.234 20 10 FGCDRN COc1ccc(CNS(=O)(=O)/C=C\c2cccc(Cl)c2)c(O)c1 ZINC000795357230 723584797 /nfs/dbraw/zinc/58/47/97/723584797.db2.gz BWTHDWDZLIZWLW-FPLPWBNLSA-N 0 0 353.827 3.145 20 10 FGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1cn2c(n1)SCC2 ZINC000767183492 723609962 /nfs/dbraw/zinc/60/99/62/723609962.db2.gz UULARKOTHVXWBT-UHFFFAOYSA-N 0 0 372.519 3.430 20 10 FGCDRN Cc1cc(Br)cc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000796037861 723618338 /nfs/dbraw/zinc/61/83/38/723618338.db2.gz VSLYUQKRIXVNOS-DYVFJYSZSA-N 0 0 370.287 3.233 20 10 FGCDRN CCOc1ccc(NC(=S)NNc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000767690098 723628935 /nfs/dbraw/zinc/62/89/35/723628935.db2.gz HKYCSDOWGUTZCH-UHFFFAOYSA-N 0 0 362.411 3.316 20 10 FGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000796307481 723631962 /nfs/dbraw/zinc/63/19/62/723631962.db2.gz LSNPBUCFOOIULT-AMIZOPFISA-N 0 0 351.752 3.400 20 10 FGCDRN O=C(NCCCSc1nccs1)c1cc(=O)c2ccc(F)cc2o1 ZINC000796417597 723636933 /nfs/dbraw/zinc/63/69/33/723636933.db2.gz NCOBSYFCRLUXQQ-UHFFFAOYSA-N 0 0 364.423 3.301 20 10 FGCDRN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000796470773 723639126 /nfs/dbraw/zinc/63/91/26/723639126.db2.gz WHKCCUKQPYCRBK-CQSZACIVSA-N 0 0 372.296 3.469 20 10 FGCDRN CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000796550609 723643242 /nfs/dbraw/zinc/64/32/42/723643242.db2.gz IWANJTUGUYSWIW-OAHLLOKOSA-N 0 0 368.861 3.301 20 10 FGCDRN Cc1cc(C)nc(NC(=O)NCc2cc(Br)ccc2O)c1 ZINC000796641088 723647904 /nfs/dbraw/zinc/64/79/04/723647904.db2.gz RZOAYVDPQOBGNR-UHFFFAOYSA-N 0 0 350.216 3.488 20 10 FGCDRN CC[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(F)cc1[O-] ZINC000796770631 723654196 /nfs/dbraw/zinc/65/41/96/723654196.db2.gz FKKDSCQVLDHSIR-GFCCVEGCSA-N 0 0 358.339 3.493 20 10 FGCDRN COc1cc(Br)cc(CN2CCc3ccc(O)cc3C2)c1O ZINC000768867155 723670234 /nfs/dbraw/zinc/67/02/34/723670234.db2.gz FAKNGAPUAGCPTL-UHFFFAOYSA-N 0 0 364.239 3.427 20 10 FGCDRN CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC000769148621 723678022 /nfs/dbraw/zinc/67/80/22/723678022.db2.gz PKUFVUBHEZXEKT-CQSZACIVSA-N 0 0 350.459 3.232 20 10 FGCDRN Cc1ccccc1CC(=O)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000769213174 723679595 /nfs/dbraw/zinc/67/95/95/723679595.db2.gz LNRLIJIEKDOCPB-UHFFFAOYSA-N 0 0 358.869 3.241 20 10 FGCDRN C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H](C(F)(F)F)O1 ZINC000769498287 723687451 /nfs/dbraw/zinc/68/74/51/723687451.db2.gz SZMLPGVBPFRWEU-UFBFGSQYSA-N 0 0 354.166 3.306 20 10 FGCDRN CN(CC(F)F)C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769511897 723688265 /nfs/dbraw/zinc/68/82/65/723688265.db2.gz ZQGKGQLFJVSHQA-UHFFFAOYSA-N 0 0 363.792 3.115 20 10 FGCDRN CN(C)c1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1F ZINC000769543365 723689289 /nfs/dbraw/zinc/68/92/89/723689289.db2.gz NXAKLYCBRITRPY-GOSISDBHSA-N 0 0 350.478 3.442 20 10 FGCDRN O=C(NCCSCC(F)(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000769710691 723692827 /nfs/dbraw/zinc/69/28/27/723692827.db2.gz DCVHMWWGTGJTJP-UHFFFAOYSA-N 0 0 361.433 3.382 20 10 FGCDRN COC(=O)c1cc(COC(=O)c2sccc2-n2c(C)ccc2C)on1 ZINC000771003072 723725439 /nfs/dbraw/zinc/72/54/39/723725439.db2.gz ALMCVQOYYLIFNZ-UHFFFAOYSA-N 0 0 360.391 3.287 20 10 FGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3(F)CCCC3)cc2F)C[C@@H](C)O1 ZINC000771929439 723745794 /nfs/dbraw/zinc/74/57/94/723745794.db2.gz OXXXZUIPZVUBHY-ZIAGYGMSSA-N 0 0 352.425 3.338 20 10 FGCDRN C[C@@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000773008103 723774322 /nfs/dbraw/zinc/77/43/22/723774322.db2.gz CFZCQMZLLMPWOZ-HIFRSBDPSA-N 0 0 357.420 3.204 20 10 FGCDRN C[C@@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000773089676 723776500 /nfs/dbraw/zinc/77/65/00/723776500.db2.gz UBUVMNDTGFMXLQ-SNVBAGLBSA-N 0 0 358.385 3.209 20 10 FGCDRN C[C@H](NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(N(C)C)cc1 ZINC000773628781 723807379 /nfs/dbraw/zinc/80/73/79/723807379.db2.gz QYUUBSRYEGLNNX-QOKNQOGYSA-N 0 0 363.527 3.168 20 10 FGCDRN C[C@@H](NC(=O)N1CCSC2(CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000773627009 723807667 /nfs/dbraw/zinc/80/76/67/723807667.db2.gz VMTZHDOJUSYKJH-OAHLLOKOSA-N 0 0 363.527 3.121 20 10 FGCDRN CSc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773849170 723829813 /nfs/dbraw/zinc/82/98/13/723829813.db2.gz XJUKDXAPTVIWHY-CYBMUJFWSA-N 0 0 357.479 3.290 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000797578767 723837197 /nfs/dbraw/zinc/83/71/97/723837197.db2.gz ITYGJBYSCBTGIA-UONOGXRCSA-N 0 0 353.260 3.485 20 10 FGCDRN CCC(CC)c1nnc(NC(=O)NCc2ccc(OC)cc2O)s1 ZINC000797611427 723842461 /nfs/dbraw/zinc/84/24/61/723842461.db2.gz QHCQNXGDPVGXGX-UHFFFAOYSA-N 0 0 350.444 3.478 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000797833482 723869743 /nfs/dbraw/zinc/86/97/43/723869743.db2.gz MNGLSUQABMJTRD-VWLOTQADSA-N 0 0 358.507 3.129 20 10 FGCDRN Cc1cc(C(=O)NCC2([S@](C)=O)CCC2)c(C)n1-c1ccc(F)cc1 ZINC000798102282 723904561 /nfs/dbraw/zinc/90/45/61/723904561.db2.gz XGOCHSFPSOXYMR-VWLOTQADSA-N 0 0 362.470 3.264 20 10 FGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1([S@@](C)=O)CCC1 ZINC000798101456 723904612 /nfs/dbraw/zinc/90/46/12/723904612.db2.gz LUVVGKLHPQQSML-RUZDIDTESA-N 0 0 358.507 3.434 20 10 FGCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)CSC ZINC000798248378 723918235 /nfs/dbraw/zinc/91/82/35/723918235.db2.gz AJWAEQYMQYVJSF-AWEZNQCLSA-N 0 0 366.527 3.374 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(C)(OC)CC2)cc1F ZINC000774715623 723922820 /nfs/dbraw/zinc/92/28/20/723922820.db2.gz JRYOZYTVOGWATB-UHFFFAOYSA-N 0 0 351.466 3.382 20 10 FGCDRN COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000774957327 723945452 /nfs/dbraw/zinc/94/54/52/723945452.db2.gz VQEMFLYSDRDYGF-SNVBAGLBSA-N 0 0 350.346 3.308 20 10 FGCDRN CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C12CCCC2 ZINC000775030843 723954202 /nfs/dbraw/zinc/95/42/02/723954202.db2.gz VPIGNNTWJMBWHC-GJZGRUSLSA-N 0 0 350.415 3.136 20 10 FGCDRN COc1c(O)c(CN2CCO[C@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000775062947 723957591 /nfs/dbraw/zinc/95/75/91/723957591.db2.gz LNGSIZHDMMBKQR-INIZCTEOSA-N 0 0 350.415 3.090 20 10 FGCDRN C[C@@H]1CSc2ccccc2N1S(=O)(=O)c1cccc2nsnc21 ZINC000799185293 723996138 /nfs/dbraw/zinc/99/61/38/723996138.db2.gz KGZZWMIUEIQMQZ-SNVBAGLBSA-N 0 0 363.489 3.381 20 10 FGCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000799252272 724001418 /nfs/dbraw/zinc/00/14/18/724001418.db2.gz VWMSVQYUPQYRSH-UHFFFAOYSA-N 0 0 371.195 3.435 20 10 FGCDRN Cc1cc(Cl)cc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000775649989 724016089 /nfs/dbraw/zinc/01/60/89/724016089.db2.gz VWOBDRXKMYYPBV-UHFFFAOYSA-N 0 0 362.832 3.451 20 10 FGCDRN COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000775698676 724027204 /nfs/dbraw/zinc/02/72/04/724027204.db2.gz VOORBRAQKAUYPA-UHFFFAOYSA-N 0 0 369.820 3.196 20 10 FGCDRN CCn1ncc2cc(C(=O)NCCCSc3nccs3)c(C)nc21 ZINC000799630333 724071520 /nfs/dbraw/zinc/07/15/20/724071520.db2.gz BKHHVGSKOLWCEX-UHFFFAOYSA-N 0 0 361.496 3.128 20 10 FGCDRN CCOCC1(C(=O)N(CC)Cc2cc(Br)ccc2O)CC1 ZINC000799690527 724082570 /nfs/dbraw/zinc/08/25/70/724082570.db2.gz NTGCDXPWSBNJAE-UHFFFAOYSA-N 0 0 356.260 3.320 20 10 FGCDRN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775990582 724094170 /nfs/dbraw/zinc/09/41/70/724094170.db2.gz VPSAMXAKXSPPKS-LBPRGKRZSA-N 0 0 371.861 3.445 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)/C=C\c1ccccc1F ZINC000799922181 724113498 /nfs/dbraw/zinc/11/34/98/724113498.db2.gz VZNOXXCMULGVCF-XFXZXTDPSA-N 0 0 362.426 3.091 20 10 FGCDRN C[C@@]1([NH2+]Cc2cc(Br)cc(Br)c2[O-])CCOC1 ZINC000776252765 724123812 /nfs/dbraw/zinc/12/38/12/724123812.db2.gz PKYDDDKNQRDDLU-GFCCVEGCSA-N 0 0 365.065 3.186 20 10 FGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3ccn(C)n3)cc2Cl)C1 ZINC000800048756 724136132 /nfs/dbraw/zinc/13/61/32/724136132.db2.gz BNIIBFZSBKEFOG-CQSZACIVSA-N 0 0 360.889 3.169 20 10 FGCDRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)CC3CC3)cc2Cl)C1 ZINC000800148434 724155499 /nfs/dbraw/zinc/15/54/99/724155499.db2.gz LNMRQVZYQGNJNA-ZDUSSCGKSA-N 0 0 356.919 3.406 20 10 FGCDRN COCCCS(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800149277 724155511 /nfs/dbraw/zinc/15/55/11/724155511.db2.gz XSCZGKJMJSNKGQ-AWEZNQCLSA-N 0 0 374.934 3.032 20 10 FGCDRN C[C@H]1C[C@H](O)CN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800718683 724223583 /nfs/dbraw/zinc/22/35/83/724223583.db2.gz CFVQUCKJWYEHNV-YCPHGPKFSA-N 0 0 365.905 3.241 20 10 FGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]3CO)cc2Cl)C1 ZINC000800719638 724224105 /nfs/dbraw/zinc/22/41/05/724224105.db2.gz MLEQBHLXTFQTRC-GDBMZVCRSA-N 0 0 365.905 3.243 20 10 FGCDRN COc1ccc(O)c(CNC(=O)NCc2ccsc2Br)c1 ZINC000802163097 724361508 /nfs/dbraw/zinc/36/15/08/724361508.db2.gz ZOEGEYLWXSTZHM-UHFFFAOYSA-N 0 0 371.256 3.224 20 10 FGCDRN CC(=O)NC1CCC([N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000784548575 724862624 /nfs/dbraw/zinc/86/26/24/724862624.db2.gz DVGGKBVACNUYMR-UHFFFAOYSA-N 0 0 352.862 3.127 20 10 FGCDRN CC(C)(C)Sc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccn1 ZINC000784583724 724865585 /nfs/dbraw/zinc/86/55/85/724865585.db2.gz BVKNCNHAFPOGOJ-UHFFFAOYSA-N 0 0 361.419 3.423 20 10 FGCDRN COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000784625744 724868859 /nfs/dbraw/zinc/86/88/59/724868859.db2.gz NIDVRXWWPWTETC-CYBMUJFWSA-N 0 0 354.790 3.284 20 10 FGCDRN O=C(COC(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccc(O)c(O)c1 ZINC000784865352 724881222 /nfs/dbraw/zinc/88/12/22/724881222.db2.gz YMFJAUMTMZCUSZ-UHFFFAOYSA-N 0 0 358.243 3.295 20 10 FGCDRN O=C(COC(=O)c1cccc(Br)c1F)c1ccc(O)c(O)c1 ZINC000784974880 724888022 /nfs/dbraw/zinc/88/80/22/724888022.db2.gz WOTMFYBHZRJGHZ-UHFFFAOYSA-N 0 0 369.142 3.039 20 10 FGCDRN COC(=O)[C@H](OC(=O)c1ccc(C)c(O)c1O)c1c(F)cccc1Cl ZINC000785274310 724905033 /nfs/dbraw/zinc/90/50/33/724905033.db2.gz QTGGTNPJAPLVRR-OAHLLOKOSA-N 0 0 368.744 3.270 20 10 FGCDRN CC(C)(COCC(F)F)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000786789649 724999840 /nfs/dbraw/zinc/99/98/40/724999840.db2.gz OHXLGRSHEJJQKC-UHFFFAOYSA-N 0 0 372.481 3.164 20 10 FGCDRN O=S(=O)(c1cccc2nonc21)N1CCSc2ccc(Cl)cc21 ZINC000786888955 725006010 /nfs/dbraw/zinc/00/60/10/725006010.db2.gz VOLGGOCBAIVGRW-UHFFFAOYSA-N 0 0 367.839 3.177 20 10 FGCDRN CSC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000787445534 725028652 /nfs/dbraw/zinc/02/86/52/725028652.db2.gz MYURHOILSMECPH-HNNXBMFYSA-N 0 0 368.930 3.412 20 10 FGCDRN O=C(NCc1ccc(O)c(O)c1)c1c(F)ccc(Br)c1F ZINC000787451708 725028915 /nfs/dbraw/zinc/02/89/15/725028915.db2.gz YKDQOVVGVZAVLT-UHFFFAOYSA-N 0 0 358.138 3.069 20 10 FGCDRN C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)c1nccs1 ZINC000805278970 725061519 /nfs/dbraw/zinc/06/15/19/725061519.db2.gz LSWJTAJAXKFOTF-VIFPVBQESA-N 0 0 370.272 3.214 20 10 FGCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCSC(C)(C)CC2)c1[N+](=O)[O-] ZINC000788566523 725073315 /nfs/dbraw/zinc/07/33/15/725073315.db2.gz WNQWLAHHNFMETA-UHFFFAOYSA-N 0 0 355.416 3.026 20 10 FGCDRN CN1CCCc2cc(CNC(=O)c3ncc(Br)s3)ccc21 ZINC000788653727 725078774 /nfs/dbraw/zinc/07/87/74/725078774.db2.gz KJQVMWGPYKIWDA-UHFFFAOYSA-N 0 0 366.284 3.218 20 10 FGCDRN COc1ccc(O)c([C@H](C)N[C@H](C)c2ncc(Br)cn2)c1 ZINC000805748119 725091160 /nfs/dbraw/zinc/09/11/60/725091160.db2.gz LHGUCQNOZHYODZ-VHSXEESVSA-N 0 0 352.232 3.365 20 10 FGCDRN CCC[C@H](C)[C@H]1CCCN1C(=O)C(=O)NCCCSc1nccs1 ZINC000806279080 725122518 /nfs/dbraw/zinc/12/25/18/725122518.db2.gz DJEWWYWOPLGUMI-UONOGXRCSA-N 0 0 369.556 3.169 20 10 FGCDRN CC(=O)Nc1cccc(NC(=S)NNc2ccc([N+](=O)[O-])cc2C)c1 ZINC000806589421 725135506 /nfs/dbraw/zinc/13/55/06/725135506.db2.gz FSZAAYRTJZJRSR-UHFFFAOYSA-N 0 0 359.411 3.175 20 10 FGCDRN C[NH+](C)CC(C)(C)CNC(=S)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806599868 725136640 /nfs/dbraw/zinc/13/66/40/725136640.db2.gz ZXKPDFRTKWSGMV-UHFFFAOYSA-N 0 0 364.342 3.251 20 10 FGCDRN COC(=O)[C@@H](Cc1ccccc1)NCc1cc(Br)ccc1O ZINC000789570608 725137031 /nfs/dbraw/zinc/13/70/31/725137031.db2.gz OVLVBGPPFQUTRQ-OAHLLOKOSA-N 0 0 364.239 3.029 20 10 FGCDRN COc1cc(O)c(CNc2ccc(Br)nc2OC)cc1OC ZINC000789594537 725138101 /nfs/dbraw/zinc/13/81/01/725138101.db2.gz ALORMQKPNBQYJN-UHFFFAOYSA-N 0 0 369.215 3.188 20 10 FGCDRN COCCc1ccnc(NC(=O)NCCCSc2nccs2)c1 ZINC000806660367 725139690 /nfs/dbraw/zinc/13/96/90/725139690.db2.gz CNVKKDKOAJPQGJ-UHFFFAOYSA-N 0 0 352.485 3.031 20 10 FGCDRN Cc1n[nH]cc1C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000806960225 725150130 /nfs/dbraw/zinc/15/01/30/725150130.db2.gz APKYDVNMLFRZGA-UHFFFAOYSA-N 0 0 365.528 3.246 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CSC[C@H]1C ZINC000807479064 725161996 /nfs/dbraw/zinc/16/19/96/725161996.db2.gz YJIDXBBZXMIELS-MFKMUULPSA-N 0 0 373.316 3.438 20 10 FGCDRN O=C(C1=CC(=O)CS1)N1CCN(c2cccc(Br)c2)CC1 ZINC000807553765 725163044 /nfs/dbraw/zinc/16/30/44/725163044.db2.gz XQLMIDWQHWYDJS-UHFFFAOYSA-N 0 0 367.268 3.179 20 10 FGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ncsc1Br ZINC000807596631 725164518 /nfs/dbraw/zinc/16/45/18/725164518.db2.gz RAPYQPJIHOFILS-UHFFFAOYSA-N 0 0 354.273 3.210 20 10 FGCDRN Cc1cc(C(=O)NCCCc2nnc[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000807990177 725178621 /nfs/dbraw/zinc/17/86/21/725178621.db2.gz WLNKVMBQLTVPMZ-UHFFFAOYSA-N 0 0 357.845 3.228 20 10 FGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808095599 725183477 /nfs/dbraw/zinc/18/34/77/725183477.db2.gz LBDXEHAWUWEYQK-UHFFFAOYSA-N 0 0 355.774 3.370 20 10 FGCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000808437015 725201105 /nfs/dbraw/zinc/20/11/05/725201105.db2.gz VWVPMLYDJRSOAO-LBPRGKRZSA-N 0 0 366.820 3.285 20 10 FGCDRN CN(C)c1ccc(CN(C)S(=O)(=O)C[C@@H]2CCCC(F)(F)C2)cc1 ZINC000809388140 725241418 /nfs/dbraw/zinc/24/14/18/725241418.db2.gz KZKNISRHRPCFCH-OAHLLOKOSA-N 0 0 360.470 3.340 20 10 FGCDRN CC[C@@H]1CN(Cc2cc(Br)cc(C)c2O)C[C@H](C)[S@]1=O ZINC000809700933 725260549 /nfs/dbraw/zinc/26/05/49/725260549.db2.gz RMFJAPROOVEYCO-GZNWPSJOSA-N 0 0 360.317 3.195 20 10 FGCDRN CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809709250 725260896 /nfs/dbraw/zinc/26/08/96/725260896.db2.gz OHVFYBKLWMJRHF-CYBMUJFWSA-N 0 0 371.821 3.007 20 10 FGCDRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000809721288 725262555 /nfs/dbraw/zinc/26/25/55/725262555.db2.gz PDYGIIIQBMMWNR-NXEZZACHSA-N 0 0 368.890 3.212 20 10 FGCDRN COc1cc(Cl)ccc1-c1nnc(N(C)Cc2ccccc2O)n1C ZINC000809818157 725270680 /nfs/dbraw/zinc/27/06/80/725270680.db2.gz BSCKFHBGQKBYDK-UHFFFAOYSA-N 0 0 358.829 3.486 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nc([C@H](C)OC)ns1 ZINC000809924304 725276366 /nfs/dbraw/zinc/27/63/66/725276366.db2.gz LANDLJCOVIFNJC-NSHDSACASA-N 0 0 350.444 3.395 20 10 FGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000810164484 725293899 /nfs/dbraw/zinc/29/38/99/725293899.db2.gz DWIRSSXIOPHDCW-CRAIPNDOSA-N 0 0 362.267 3.411 20 10 FGCDRN O=C(NCCCSc1nccs1)[C@@H]1CCN(c2ccccc2F)C1 ZINC000810399107 725306265 /nfs/dbraw/zinc/30/62/65/725306265.db2.gz RUSRHZXURNKXOZ-CYBMUJFWSA-N 0 0 365.499 3.407 20 10 FGCDRN Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000810687680 725322836 /nfs/dbraw/zinc/32/28/36/725322836.db2.gz VHNVTGHNSNBZQH-LBPRGKRZSA-N 0 0 354.376 3.154 20 10 FGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000811558921 725373450 /nfs/dbraw/zinc/37/34/50/725373450.db2.gz TYMDEQJIFSRCEM-SECBINFHSA-N 0 0 361.345 3.309 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](CO)C2CCCC2)cc1F ZINC000811878174 725383764 /nfs/dbraw/zinc/38/37/64/725383764.db2.gz WTJVXGVDVGVENG-KRWDZBQOSA-N 0 0 351.466 3.022 20 10 FGCDRN CCn1cc(N2C(=O)/C(=C/c3cc(F)ccc3OC)SC2=S)cn1 ZINC000812219354 725390915 /nfs/dbraw/zinc/39/09/15/725390915.db2.gz FDUUHGQTTBLFFG-AUWJEWJLSA-N 0 0 363.439 3.457 20 10 FGCDRN O=S(=O)(CC12CCC(CC1)C2)NCc1cccc(Br)c1O ZINC000812509550 725398782 /nfs/dbraw/zinc/39/87/82/725398782.db2.gz PPTVHAPLRWBBPR-UHFFFAOYSA-N 0 0 374.300 3.154 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)[C@@H](C)COC ZINC000812525192 725399174 /nfs/dbraw/zinc/39/91/74/725399174.db2.gz YQXHIFZJJUKAIJ-NWDGAFQWSA-N 0 0 358.276 3.422 20 10 FGCDRN CN(CCc1cccc(Br)c1)C(=O)c1cccc(O)c1O ZINC000812773325 726809301 /nfs/dbraw/zinc/80/93/01/726809301.db2.gz CXAUAXTUQSMADA-UHFFFAOYSA-N 0 0 350.212 3.175 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@](C)(O)C1CCC1 ZINC000813481274 726883566 /nfs/dbraw/zinc/88/35/66/726883566.db2.gz UREYETVEUHUKAU-MRXNPFEDSA-N 0 0 356.260 3.054 20 10 FGCDRN CCOC(=O)Nc1scnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000813524894 726890595 /nfs/dbraw/zinc/89/05/95/726890595.db2.gz IWGGLYQDYNLGPD-NSHDSACASA-N 0 0 362.455 3.269 20 10 FGCDRN CN1C(=O)/C(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)SC1=S ZINC000814269775 726951718 /nfs/dbraw/zinc/95/17/18/726951718.db2.gz GIEVXCRIOHEQPK-GXDHUFHOSA-N 0 0 363.464 3.416 20 10 FGCDRN CCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC000814387327 726961129 /nfs/dbraw/zinc/96/11/29/726961129.db2.gz OLDQUDWRUCWGPD-UHFFFAOYSA-N 0 0 367.814 3.100 20 10 FGCDRN CC(C)C(=O)Nc1cc(C(=O)NCCCSc2nccs2)ccn1 ZINC000815591104 727085203 /nfs/dbraw/zinc/08/52/03/727085203.db2.gz WPKFFLFVSUBURT-UHFFFAOYSA-N 0 0 364.496 3.045 20 10 FGCDRN CC(=O)c1cc(C(=O)NCc2cccc(Br)c2O)cs1 ZINC000816496387 727168054 /nfs/dbraw/zinc/16/80/54/727168054.db2.gz IEZNNZWLXXNREZ-UHFFFAOYSA-N 0 0 354.225 3.349 20 10 FGCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H](O)COCc1ccccc1 ZINC000816496588 727168134 /nfs/dbraw/zinc/16/81/34/727168134.db2.gz PEYCTBZIYSPCCH-HNNXBMFYSA-N 0 0 353.821 3.194 20 10 FGCDRN CCn1nncc1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000816575235 727177107 /nfs/dbraw/zinc/17/71/07/727177107.db2.gz HSMSRNLEFNGHDD-ZDUSSCGKSA-N 0 0 361.877 3.118 20 10 FGCDRN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C[C@@H]2C1 ZINC000816598351 727178954 /nfs/dbraw/zinc/17/89/54/727178954.db2.gz YLNJKYOUVJJINY-BETUJISGSA-N 0 0 370.852 3.483 20 10 FGCDRN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H](O)Cc1ccccc1 ZINC000816624850 727181891 /nfs/dbraw/zinc/18/18/91/727181891.db2.gz JMLOPUZGGIRNMR-HNNXBMFYSA-N 0 0 350.256 3.190 20 10 FGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ncsc1Br ZINC000816867848 727201773 /nfs/dbraw/zinc/20/17/73/727201773.db2.gz ZVVZRTMDPWHIAE-UHFFFAOYSA-N 0 0 366.284 3.436 20 10 FGCDRN CNc1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000816898358 727203477 /nfs/dbraw/zinc/20/34/77/727203477.db2.gz ZBSTVFZRZVKAKG-UHFFFAOYSA-N 0 0 359.857 3.148 20 10 FGCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](CC(F)(F)F)C3)cc2N1 ZINC000817125781 727222803 /nfs/dbraw/zinc/22/28/03/727222803.db2.gz UHUPCLKOWDTGOF-VIFPVBQESA-N 0 0 359.304 3.095 20 10 FGCDRN CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(O)cc1SC ZINC000817356078 727242816 /nfs/dbraw/zinc/24/28/16/727242816.db2.gz DEWLSFUOJNDSAM-HNNXBMFYSA-N 0 0 367.492 3.114 20 10 FGCDRN C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1(F)F ZINC000817435602 727251624 /nfs/dbraw/zinc/25/16/24/727251624.db2.gz NJMIHSWISAXQJR-MEDUHNTESA-N 0 0 360.351 3.418 20 10 FGCDRN CC(=O)N[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 ZINC000817636329 727273759 /nfs/dbraw/zinc/27/37/59/727273759.db2.gz LVSDHAUPSDMTTL-MRXNPFEDSA-N 0 0 359.857 3.098 20 10 FGCDRN COc1ccc(N2CC[C@H](CNC(=O)NCCc3cccs3)C2)cc1 ZINC000818047599 727293902 /nfs/dbraw/zinc/29/39/02/727293902.db2.gz HHDFCMJNUMGRHU-OAHLLOKOSA-N 0 0 359.495 3.125 20 10 FGCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3nc(C)c(C)s3)C2)cc1 ZINC000818091449 727295590 /nfs/dbraw/zinc/29/55/90/727295590.db2.gz MSFMBLFTTRFICD-CQSZACIVSA-N 0 0 360.483 3.417 20 10 FGCDRN CCS[C@H](C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000819583680 727383476 /nfs/dbraw/zinc/38/34/76/727383476.db2.gz ZARDXDMTUQDMQO-QAPCUYQASA-N 0 0 350.528 3.415 20 10 FGCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCc3nc(C)cs3)C2)cc1 ZINC000819587550 727383688 /nfs/dbraw/zinc/38/36/88/727383688.db2.gz FKMDZKUMIIQVEG-HNNXBMFYSA-N 0 0 359.495 3.035 20 10 FGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(Br)n[nH]2)cc1 ZINC000819974520 728958678 /nfs/dbraw/zinc/95/86/78/728958678.db2.gz NIZMKUUNYNENQA-UHFFFAOYSA-N 0 0 365.275 3.291 20 10 FGCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cscn1 ZINC000821103622 729057592 /nfs/dbraw/zinc/05/75/92/729057592.db2.gz OQCNBSQQNXOFBG-ZFWWWQNUSA-N 0 0 361.467 3.301 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccnc(SC)c3)C2)cc1 ZINC000822281206 729158832 /nfs/dbraw/zinc/15/88/32/729158832.db2.gz LXDNMYHSZKDKRR-AWEZNQCLSA-N 0 0 358.467 3.213 20 10 FGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1nc2cnccc2s1 ZINC000822554298 729193879 /nfs/dbraw/zinc/19/38/79/729193879.db2.gz VFVMGCAECUGGCW-UHFFFAOYSA-N 0 0 370.503 3.175 20 10 FGCDRN CCSCC[C@@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823179856 729259753 /nfs/dbraw/zinc/25/97/53/729259753.db2.gz YXTCMGKJUXDMMS-CVEARBPZSA-N 0 0 365.543 3.352 20 10 FGCDRN O=C(C[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1ccc2cccnc2c1O ZINC000823181105 729260224 /nfs/dbraw/zinc/26/02/24/729260224.db2.gz IOHKJVFRQVGPAS-OLZOCXBDSA-N 0 0 354.328 3.057 20 10 FGCDRN 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COc1cc(C[C@H](CO)C[NH2+]Cc2cccc(Cl)c2[O-])cc(OC)c1 ZINC000776231160 724121819 /nfs/dbraw/zinc/12/18/19/724121819.db2.gz NRDHXDLOUXLAJO-AWEZNQCLSA-N 0 0 365.857 3.004 20 10 FGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](CO)C3CC3)cc2Cl)C1 ZINC000799994158 724123813 /nfs/dbraw/zinc/12/38/13/724123813.db2.gz NTCHDTBQLGCQMK-DYVFJYSZSA-N 0 0 365.905 3.146 20 10 FGCDRN Cc1c(Cl)cccc1NC(=S)NNc1cccc(S(C)(=O)=O)c1 ZINC000776267985 724126062 /nfs/dbraw/zinc/12/60/62/724126062.db2.gz PIRLFBKVGZRUQM-UHFFFAOYSA-N 0 0 369.899 3.365 20 10 FGCDRN Cc1c(NCc2c(O)cccc2Cl)cccc1N1C(=O)CCNC1=O ZINC000800293750 724176412 /nfs/dbraw/zinc/17/64/12/724176412.db2.gz JSMWBYBEBXVIAA-UHFFFAOYSA-N 0 0 359.813 3.412 20 10 FGCDRN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000776749048 724179195 /nfs/dbraw/zinc/17/91/95/724179195.db2.gz VNFPWGUHGJZCAW-UHFFFAOYSA-N 0 0 355.799 3.023 20 10 FGCDRN CCN(CC)c1ccc(CN2CCC[C@H](S(C)(=O)=O)CC2)cc1F ZINC000800535140 724210321 /nfs/dbraw/zinc/21/03/21/724210321.db2.gz 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COc1ccc(O)c(CNC(=O)Nc2cc(-c3ccsc3)nn2C)c1 ZINC000786179436 724965467 /nfs/dbraw/zinc/96/54/67/724965467.db2.gz WYHPZYJECIRLOM-UHFFFAOYSA-N 0 0 358.423 3.185 20 10 FGCDRN CC[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000786584094 724990172 /nfs/dbraw/zinc/99/01/72/724990172.db2.gz FIDVVWHXTIMPIS-MRXNPFEDSA-N 0 0 364.781 3.335 20 10 FGCDRN CN(C)c1ccc(CNC(=O)NCCc2ccc(F)c(F)c2)cc1F ZINC000786732838 724998002 /nfs/dbraw/zinc/99/80/02/724998002.db2.gz VNKZENNCIHPCBH-UHFFFAOYSA-N 0 0 351.372 3.212 20 10 FGCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nc(C(F)(F)F)cs1 ZINC000787801752 725038384 /nfs/dbraw/zinc/03/83/84/725038384.db2.gz HNJGHIXYOIQWRN-WGAJWPLOSA-N 0 0 358.341 3.464 20 10 FGCDRN O=S(=O)(Cc1ccccc1F)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805134493 725051983 /nfs/dbraw/zinc/05/19/83/725051983.db2.gz ATIUPTXTPOKAGA-UHFFFAOYSA-N 0 0 364.225 3.458 20 10 FGCDRN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805224770 725057228 /nfs/dbraw/zinc/05/72/28/725057228.db2.gz 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FGCDRN CCc1nnc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000810259079 725300498 /nfs/dbraw/zinc/30/04/98/725300498.db2.gz ASHHAMQWGKGSCG-GFCCVEGCSA-N 0 0 366.918 3.441 20 10 FGCDRN COc1cccc(CNC(=O)c2cc(Cl)ncc2Br)c1O ZINC000810328077 725304201 /nfs/dbraw/zinc/30/42/01/725304201.db2.gz HVYZZWPDXNXIJU-UHFFFAOYSA-N 0 0 371.618 3.142 20 10 FGCDRN CN(Cc1cn(-c2ccccc2Br)nn1)Cc1ccccc1O ZINC000811458603 725366463 /nfs/dbraw/zinc/36/64/63/725366463.db2.gz YWKOWFDIOOILAH-UHFFFAOYSA-N 0 0 373.254 3.367 20 10 FGCDRN COC(=O)c1cc(/C=C2\C(=O)Nc3cc(Br)ccc32)cn1C ZINC000811694227 725376905 /nfs/dbraw/zinc/37/69/05/725376905.db2.gz QOHXLBMJBGISHS-XGICHPGQSA-N 0 0 361.195 3.067 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)c2ccc(Cl)cc2F)c1 ZINC000813489096 726884730 /nfs/dbraw/zinc/88/47/30/726884730.db2.gz OOVLGTQGUZACLH-ABKXIKBNSA-N 0 0 353.777 3.104 20 10 FGCDRN CC[C@@H]1CCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000813623237 726898986 /nfs/dbraw/zinc/89/89/86/726898986.db2.gz WRNXPRGWILCAPB-CQSZACIVSA-N 0 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ZINC000749268109 722722675 /nfs/dbraw/zinc/72/26/75/722722675.db2.gz QOVWBWINOOCBMX-UHFFFAOYSA-N 0 0 353.447 3.348 20 10 FGCDRN CSc1ccccc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000749729824 722738619 /nfs/dbraw/zinc/73/86/19/722738619.db2.gz AXGVFKYMOOSREI-UHFFFAOYSA-N 0 0 367.521 3.102 20 10 FGCDRN COCCN(CC(=O)OC(C)(C)C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000750044004 722752836 /nfs/dbraw/zinc/75/28/36/722752836.db2.gz ZRJGYICBBLTUIG-UHFFFAOYSA-N 0 0 371.861 3.038 20 10 FGCDRN CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1C ZINC000751319107 722801885 /nfs/dbraw/zinc/80/18/85/722801885.db2.gz SJVNZPFQMAPZQI-ZDUSSCGKSA-N 0 0 365.451 3.147 20 10 FGCDRN Cc1cc2c(cc1Br)N(C(=O)/C=C\c1cnccn1)C[C@H](C)O2 ZINC000751324115 722802028 /nfs/dbraw/zinc/80/20/28/722802028.db2.gz CBPICMGOKXYZMB-MVZIDQBPSA-N 0 0 374.238 3.375 20 10 FGCDRN COc1ccc(N2CCCN(Cc3cnc(OC)c(Cl)c3)CC2)cc1 ZINC000751963731 722838090 /nfs/dbraw/zinc/83/80/90/722838090.db2.gz RKTAUXBTOZWORR-UHFFFAOYSA-N 0 0 361.873 3.465 20 10 FGCDRN CC1CC(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000752955737 722879140 /nfs/dbraw/zinc/87/91/40/722879140.db2.gz GWMXWEZNBGRVSS-UHFFFAOYSA-N 0 0 353.413 3.355 20 10 FGCDRN COC(=O)c1cc(/C=C2/SC(=S)N(c3cccc(OC)c3)C2=O)c[nH]1 ZINC000753139327 722886905 /nfs/dbraw/zinc/88/69/05/722886905.db2.gz SMOWUSVYVJWYHI-VGOFMYFVSA-N 0 0 374.443 3.216 20 10 FGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3CC(F)(F)C3)cc2F)C[C@H](C)O1 ZINC000753582148 722905647 /nfs/dbraw/zinc/90/56/47/722905647.db2.gz GVOLALIPHMOIDH-TXEJJXNPSA-N 0 0 356.388 3.101 20 10 FGCDRN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000756341197 722963063 /nfs/dbraw/zinc/96/30/63/722963063.db2.gz ICEZVLLLOLKFTO-RHSMWYFYSA-N 0 0 363.502 3.232 20 10 FGCDRN CN(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000756347075 722963205 /nfs/dbraw/zinc/96/32/05/722963205.db2.gz FBROPYOIDFOWBP-MRXNPFEDSA-N 0 0 363.255 3.431 20 10 FGCDRN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756355678 722963382 /nfs/dbraw/zinc/96/33/82/722963382.db2.gz VJEKXIVFWXUBTI-BLLLJJGKSA-N 0 0 368.449 3.456 20 10 FGCDRN C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000756379766 722963613 /nfs/dbraw/zinc/96/36/13/722963613.db2.gz BMRJFMFNVASODH-XPTSAGLGSA-N 0 0 367.218 3.171 20 10 FGCDRN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756430166 722964467 /nfs/dbraw/zinc/96/44/67/722964467.db2.gz IQJYWIPSESCRMU-LLVKDONJSA-N 0 0 373.266 3.347 20 10 FGCDRN COCCOCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756462664 722965095 /nfs/dbraw/zinc/96/50/95/722965095.db2.gz YHXDGZHIEUJTGS-VIFPVBQESA-N 0 0 352.656 3.122 20 10 FGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000756496782 722965668 /nfs/dbraw/zinc/96/56/68/722965668.db2.gz XWKVIIBRFRHXKA-VXGBXAGGSA-N 0 0 352.431 3.315 20 10 FGCDRN C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756533648 722966299 /nfs/dbraw/zinc/96/62/99/722966299.db2.gz JVPQVGKVOKVFJV-SFYZADRCSA-N 0 0 359.655 3.348 20 10 FGCDRN C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756576607 722967112 /nfs/dbraw/zinc/96/71/12/722967112.db2.gz VBWHWTLXFJPQCF-NSHDSACASA-N 0 0 363.801 3.034 20 10 FGCDRN C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756585838 722967243 /nfs/dbraw/zinc/96/72/43/722967243.db2.gz ZWVZOXKMSGVJKI-QWRGUYRKSA-N 0 0 362.239 3.140 20 10 FGCDRN C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000756585836 722967248 /nfs/dbraw/zinc/96/72/48/722967248.db2.gz ZWVZOXKMSGVJKI-GHMZBOCLSA-N 0 0 362.239 3.140 20 10 FGCDRN CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756604180 722967593 /nfs/dbraw/zinc/96/75/93/722967593.db2.gz MELISSIBZHFWNS-IUCAKERBSA-N 0 0 352.269 3.058 20 10 FGCDRN C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Br)c(F)cc1[O-] ZINC000756681423 722968623 /nfs/dbraw/zinc/96/86/23/722968623.db2.gz BAGQHDJCSTYSEQ-SECBINFHSA-N 0 0 361.255 3.249 20 10 FGCDRN C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756743939 722969447 /nfs/dbraw/zinc/96/94/47/722969447.db2.gz XVXPMVNACLXEPX-BLBZPCKPSA-N 0 0 352.269 3.102 20 10 FGCDRN C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756778633 722969918 /nfs/dbraw/zinc/96/99/18/722969918.db2.gz OERJPPTXEOLDPM-FVMDXXJSSA-N 0 0 354.765 3.477 20 10 FGCDRN CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])[nH]1 ZINC000756779618 722969961 /nfs/dbraw/zinc/96/99/61/722969961.db2.gz UMAPRFOGSQOILZ-JGVFFNPUSA-N 0 0 357.227 3.386 20 10 FGCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000756811768 722970354 /nfs/dbraw/zinc/97/03/54/722970354.db2.gz YIFFTRJKAHMMKU-WBVHZDCISA-N 0 0 356.451 3.152 20 10 FGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1nnc(C2CC2)n1C ZINC000758549265 722991555 /nfs/dbraw/zinc/99/15/55/722991555.db2.gz GPNIKNNLULEOTQ-UHFFFAOYSA-N 0 0 355.467 3.092 20 10 FGCDRN O=C(COC(=O)c1cccc(O)c1O)Nc1ccccc1SC(F)F ZINC000758562355 722991782 /nfs/dbraw/zinc/99/17/82/722991782.db2.gz QRHPDUORWGZLEH-UHFFFAOYSA-N 0 0 369.345 3.208 20 10 FGCDRN CC1(C)[C@H](NC(=O)NCCCSc2nccs2)[C@@H]2CCCO[C@@H]21 ZINC000759582521 723010009 /nfs/dbraw/zinc/01/00/09/723010009.db2.gz GXWPEQMTDIHHMH-XQQFMLRXSA-N 0 0 355.529 3.128 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCSc2nccs2)c1 ZINC000759589495 723010477 /nfs/dbraw/zinc/01/04/77/723010477.db2.gz JJIWQVRDKRQRBO-LLVKDONJSA-N 0 0 367.496 3.400 20 10 FGCDRN COC(=O)c1sccc1NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759929842 723029500 /nfs/dbraw/zinc/02/95/00/723029500.db2.gz ZJFLCAMSDCBSAB-UHFFFAOYSA-N 0 0 362.451 3.397 20 10 FGCDRN Cc1nn(CC(F)F)c(C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000760619660 723072727 /nfs/dbraw/zinc/07/27/27/723072727.db2.gz YGTSOHJJSATKIX-UHFFFAOYSA-N 0 0 350.413 3.103 20 10 FGCDRN Cc1cc(C(=O)N[C@@H](CO)CC(F)F)c(C)n1-c1cccc(Cl)c1 ZINC000760679736 723080853 /nfs/dbraw/zinc/08/08/53/723080853.db2.gz UCOGURVYTZZPKH-CYBMUJFWSA-N 0 0 356.800 3.493 20 10 FGCDRN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000760883182 723101175 /nfs/dbraw/zinc/10/11/75/723101175.db2.gz AOTZIGPMTGAULZ-BIGNPOOSSA-N 0 0 362.239 3.138 20 10 FGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc(Cl)o1 ZINC000760950857 723108042 /nfs/dbraw/zinc/10/80/42/723108042.db2.gz JTARUCFLVJHKAJ-UHFFFAOYSA-N 0 0 355.177 3.256 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)C(F)(F)C2CCOCC2)cc1F ZINC000790606764 723157825 /nfs/dbraw/zinc/15/78/25/723157825.db2.gz LHPCDYCTWATJPT-UHFFFAOYSA-N 0 0 358.404 3.350 20 10 FGCDRN CCN(CC)c1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1F ZINC000790931313 723195591 /nfs/dbraw/zinc/19/55/91/723195591.db2.gz GKHXWNJENSFEKM-YRNRMSPPSA-N 0 0 350.478 3.440 20 10 FGCDRN CS(=O)(=O)Cc1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790948010 723197850 /nfs/dbraw/zinc/19/78/50/723197850.db2.gz FDXAEMFNLCACLL-UHFFFAOYSA-N 0 0 357.834 3.019 20 10 FGCDRN Cc1cc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000791172941 723216369 /nfs/dbraw/zinc/21/63/69/723216369.db2.gz KMNIBKBMWPUIIC-KBPBESRZSA-N 0 0 362.470 3.215 20 10 FGCDRN Cn1cc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nn1 ZINC000762195551 723224443 /nfs/dbraw/zinc/22/44/43/723224443.db2.gz JXHCYXRVXKREPR-INIZCTEOSA-N 0 0 355.467 3.150 20 10 FGCDRN CCCN(CC(C)(C)O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000762292606 723231969 /nfs/dbraw/zinc/23/19/69/723231969.db2.gz PMXNEBKBCRPSIE-UHFFFAOYSA-N 0 0 353.482 3.364 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(Br)c2)c1 ZINC000762805591 723280732 /nfs/dbraw/zinc/28/07/32/723280732.db2.gz MJKQJHFEDPVKGI-VIFPVBQESA-N 0 0 351.200 3.049 20 10 FGCDRN Cc1sc(Cl)nc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000762868430 723286805 /nfs/dbraw/zinc/28/68/05/723286805.db2.gz GPBOJDCUSWJTEU-NSHDSACASA-N 0 0 365.886 3.433 20 10 FGCDRN CN(C)c1ccc(CN(C)C(=O)c2nc(Br)ccc2F)cc1 ZINC000792036031 723305254 /nfs/dbraw/zinc/30/52/54/723305254.db2.gz PIRLQCFNHLGAGI-UHFFFAOYSA-N 0 0 366.234 3.321 20 10 FGCDRN CCOc1cccc(/C=C2\SC(=S)N(c3cnn(CC)c3)C2=O)n1 ZINC000763108630 723313243 /nfs/dbraw/zinc/31/32/43/723313243.db2.gz NPQSGFZAUSIKPT-JYRVWZFOSA-N 0 0 360.464 3.103 20 10 FGCDRN C/C=C\C[C@H](NCc1cc(C)cc(Br)c1O)C(=O)OCC ZINC000763359964 723336672 /nfs/dbraw/zinc/33/66/72/723336672.db2.gz ULHREXUQXVXJCV-SDQPKGBYSA-N 0 0 356.260 3.451 20 10 FGCDRN C[C@H](NC(=O)N[C@H]1CCC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000763595603 723353953 /nfs/dbraw/zinc/35/39/53/723353953.db2.gz PRORGZPGNPVPEX-ZFWWWQNUSA-N 0 0 353.413 3.071 20 10 FGCDRN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(Br)cn1 ZINC000792952170 723386057 /nfs/dbraw/zinc/38/60/57/723386057.db2.gz GUMQNXYEXHTCSH-JTQLQIEISA-N 0 0 350.216 3.110 20 10 FGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000793136011 723403092 /nfs/dbraw/zinc/40/30/92/723403092.db2.gz VOPCUZYYBXGAIL-CQSZACIVSA-N 0 0 359.436 3.372 20 10 FGCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)cn1 ZINC000793334815 723426248 /nfs/dbraw/zinc/42/62/48/723426248.db2.gz SDAITDMTTIFEMZ-SECBINFHSA-N 0 0 352.188 3.309 20 10 FGCDRN Oc1cc2c(cc1CN1Cc3ccc(Br)cc3C1)[C@H](O)CO2 ZINC000764950740 723462523 /nfs/dbraw/zinc/46/25/23/723462523.db2.gz MRMOGJHTMRQNCV-MRXNPFEDSA-N 0 0 362.223 3.096 20 10 FGCDRN O=C(NCc1cccc(Br)c1O)Nc1ccc(C2CC2)nn1 ZINC000765314967 723505053 /nfs/dbraw/zinc/50/50/53/723505053.db2.gz CZEPKTYEPPDQPC-UHFFFAOYSA-N 0 0 363.215 3.144 20 10 FGCDRN COc1ccc(CNC(=O)c2ccc(C)c(Br)c2)c(O)c1 ZINC000794388194 723517289 /nfs/dbraw/zinc/51/72/89/723517289.db2.gz RDXQQWJMOUVCQC-UHFFFAOYSA-N 0 0 350.212 3.402 20 10 FGCDRN COc1ccc(CNC(=O)c2ccc(F)c(Br)c2)c(O)c1 ZINC000794389609 723517495 /nfs/dbraw/zinc/51/74/95/723517495.db2.gz ATPXKDNJYDXLPX-UHFFFAOYSA-N 0 0 354.175 3.232 20 10 FGCDRN CCc1nc(C)c(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)o1 ZINC000794413983 723519478 /nfs/dbraw/zinc/51/94/78/723519478.db2.gz YJFWFKNCPFSFEF-UHFFFAOYSA-N 0 0 352.818 3.080 20 10 FGCDRN COC1CCC(CNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000765535601 723521416 /nfs/dbraw/zinc/52/14/16/723521416.db2.gz FEPOVGMUUAVMLA-UHFFFAOYSA-N 0 0 371.275 3.159 20 10 FGCDRN O=C(NCc1cccc(Br)c1O)NC[C@@H]1CCCCS1 ZINC000765535986 723521830 /nfs/dbraw/zinc/52/18/30/723521830.db2.gz 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20 10 FGCDRN COc1cccc(CNC(=O)c2ccc(C)cc2Br)c1O ZINC000123509219 700705785 /nfs/dbraw/zinc/70/57/85/700705785.db2.gz AKFMUYWFWJJYKL-UHFFFAOYSA-N 0 0 350.212 3.402 20 10 FGCDRN Cc1cc(CN(CC(=O)N(C)C)CC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000123755771 700709614 /nfs/dbraw/zinc/70/96/14/700709614.db2.gz AWLYCHKLZWHYHW-UHFFFAOYSA-N 0 0 360.420 3.451 20 10 FGCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2ccc(Cl)nc2)cc1F ZINC000125350087 700734807 /nfs/dbraw/zinc/73/48/07/700734807.db2.gz FPSZVJMYUYJTPM-UHFFFAOYSA-N 0 0 350.825 3.282 20 10 FGCDRN COC(=O)[C@H](F)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000126359422 700747250 /nfs/dbraw/zinc/74/72/50/700747250.db2.gz MBBGXTOSRPUMNC-HUUCEWRRSA-N 0 0 364.442 3.332 20 10 FGCDRN Cc1cc(C(=O)N(C)[C@@H](C)CO)c(C)n1-c1ccccc1Br ZINC000126853430 700753611 /nfs/dbraw/zinc/75/36/11/700753611.db2.gz QSXJTOHAKNKQQB-LBPRGKRZSA-N 0 0 365.271 3.309 20 10 FGCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCSCC1 ZINC000130784383 700806318 /nfs/dbraw/zinc/80/63/18/700806318.db2.gz 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CNC(=O)c1ccc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000177237531 705614344 /nfs/dbraw/zinc/61/43/44/705614344.db2.gz YBLUSDMYOLRLQT-UHFFFAOYSA-N 0 0 360.841 3.240 20 10 FGCDRN COc1ccc(N2CCN(C(=O)c3sc(Cl)nc3C)CC2)cc1 ZINC000177463318 705623826 /nfs/dbraw/zinc/62/38/26/705623826.db2.gz QDDMCKFIDSAMJR-UHFFFAOYSA-N 0 0 351.859 3.076 20 10 FGCDRN O=C(NCCCSc1nccs1)NC[C@@H](CCO)c1ccccc1 ZINC000177835156 705642257 /nfs/dbraw/zinc/64/22/57/705642257.db2.gz UAHQWRFRZKWMBG-OAHLLOKOSA-N 0 0 365.524 3.091 20 10 FGCDRN COc1ccc(N(C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000179004794 705685066 /nfs/dbraw/zinc/68/50/66/705685066.db2.gz RQSVPPDMPYSRQS-CQSZACIVSA-N 0 0 350.459 3.397 20 10 FGCDRN Cc1csc([C@@H](C)CNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000183576369 705891245 /nfs/dbraw/zinc/89/12/45/705891245.db2.gz CWWCQENAPYPATE-AWEZNQCLSA-N 0 0 356.495 3.431 20 10 FGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109266 712684454 /nfs/dbraw/zinc/68/44/54/712684454.db2.gz 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/nfs/dbraw/zinc/83/42/86/712834286.db2.gz NKSQZFOONPHXSG-CYBMUJFWSA-N 0 0 363.479 3.026 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(CC)c(C)s1 ZINC000193378418 712889190 /nfs/dbraw/zinc/88/91/90/712889190.db2.gz VJEDXRSSBNNEKM-UHFFFAOYSA-N 0 0 361.467 3.097 20 10 FGCDRN CC(C)CCOCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000195275333 713551698 /nfs/dbraw/zinc/55/16/98/713551698.db2.gz WCCPXLWLWRQTLQ-UHFFFAOYSA-N 0 0 365.543 3.102 20 10 FGCDRN CSc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000195738782 713560489 /nfs/dbraw/zinc/56/04/89/713560489.db2.gz GCABICXEVDXZNH-UHFFFAOYSA-N 0 0 363.414 3.452 20 10 FGCDRN CN(c1ccc(CNC(=O)c2csc(CN)n2)cc1)C1CCCCC1 ZINC000237055655 713587380 /nfs/dbraw/zinc/58/73/80/713587380.db2.gz IRJHUPIJYYZTPU-UHFFFAOYSA-N 0 0 358.511 3.301 20 10 FGCDRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)Cc1ccc(N)cc1 ZINC000237478821 713592603 /nfs/dbraw/zinc/59/26/03/713592603.db2.gz WOLCRUNMHZFEBQ-LBPRGKRZSA-N 0 0 352.356 3.414 20 10 FGCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1n1ccnc1 ZINC000245684805 713609979 /nfs/dbraw/zinc/60/99/79/713609979.db2.gz AFFNVBVASDYUGM-IAQYHMDHSA-N 0 0 350.806 3.233 20 10 FGCDRN Cc1cc(Br)cc(CNc2ccc(-n3cnnn3)cc2)c1O ZINC000802637360 724392504 /nfs/dbraw/zinc/39/25/04/724392504.db2.gz RJCFMUOYARWBJI-UHFFFAOYSA-N 0 0 360.215 3.051 20 10 FGCDRN CCOc1ccc(CN[C@H](C(=O)OC)c2cc(F)ccc2F)c(O)c1 ZINC000779180039 724398381 /nfs/dbraw/zinc/39/83/81/724398381.db2.gz SVKLJHKINGNTPY-KRWDZBQOSA-N 0 0 351.349 3.073 20 10 FGCDRN COc1cc(C)c(Br)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC000802784394 724406633 /nfs/dbraw/zinc/40/66/33/724406633.db2.gz NXRDCZSLJKSLGW-UHFFFAOYSA-N 0 0 366.211 3.107 20 10 FGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccccc1C(F)(F)F ZINC000779478413 724416155 /nfs/dbraw/zinc/41/61/55/724416155.db2.gz DGNRHOUHYKKCPC-VURMDHGXSA-N 0 0 351.324 3.489 20 10 FGCDRN Cc1oc(C2CC2)nc1C(=O)NCc1cccc(Br)c1O ZINC000803214080 724437204 /nfs/dbraw/zinc/43/72/04/724437204.db2.gz MTRBRHDSEQJKTE-UHFFFAOYSA-N 0 0 351.200 3.259 20 10 FGCDRN C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cc(Br)cc(F)c1[O-] ZINC000756763305 722969801 /nfs/dbraw/zinc/96/98/01/722969801.db2.gz WUDSTLVADSNZHS-OCCIGCLGSA-N 0 0 352.269 3.102 20 10 FGCDRN Cc1cc(C(=O)COC(=O)COC(F)F)c(C)n1-c1cccc(F)c1 ZINC000803729945 724458893 /nfs/dbraw/zinc/45/88/93/724458893.db2.gz QOKXYITZKLFNDI-UHFFFAOYSA-N 0 0 355.312 3.198 20 10 FGCDRN COc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1F ZINC000804242350 724500217 /nfs/dbraw/zinc/50/02/17/724500217.db2.gz JFKNNBYXJFETDW-UHFFFAOYSA-N 0 0 364.760 3.162 20 10 FGCDRN Cc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(O)c1O ZINC000780942600 724516535 /nfs/dbraw/zinc/51/65/35/724516535.db2.gz BUDHGAGLUKXZTM-UHFFFAOYSA-N 0 0 359.769 3.040 20 10 FGCDRN CCC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000804545442 724527403 /nfs/dbraw/zinc/52/74/03/724527403.db2.gz YOVRNPNUGDORHK-UONOGXRCSA-N 0 0 369.556 3.217 20 10 FGCDRN CCN(CC(=O)NCc1cc(Br)ccc1O)c1ccccc1 ZINC000804734076 724546303 /nfs/dbraw/zinc/54/63/03/724546303.db2.gz CBZXXAROJWDOHN-UHFFFAOYSA-N 0 0 363.255 3.297 20 10 FGCDRN COc1cc(C(=O)NCc2cc(Br)ccc2O)ccc1F ZINC000804734779 724546528 /nfs/dbraw/zinc/54/65/28/724546528.db2.gz ZEEPJQFTMODRTK-UHFFFAOYSA-N 0 0 354.175 3.232 20 10 FGCDRN O=C(NCc1cc(Br)ccc1O)c1cc2ccccc2c(=O)[nH]1 ZINC000804735429 724547041 /nfs/dbraw/zinc/54/70/41/724547041.db2.gz YOXBBMLSIGUWPG-UHFFFAOYSA-N 0 0 373.206 3.339 20 10 FGCDRN O=C(Cc1c[nH]c2ccccc12)NCc1cc(Br)ccc1O ZINC000804737256 724547842 /nfs/dbraw/zinc/54/78/42/724547842.db2.gz MCXLFFZLCLDZRQ-UHFFFAOYSA-N 0 0 359.223 3.495 20 10 FGCDRN O=C(NCc1cc(Br)ccc1O)C(F)(F)c1nccs1 ZINC000804738259 724548147 /nfs/dbraw/zinc/54/81/47/724548147.db2.gz JIOKFUGRXHNYMO-UHFFFAOYSA-N 0 0 363.183 3.019 20 10 FGCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H](OC(F)F)C1 ZINC000781381982 724559274 /nfs/dbraw/zinc/55/92/74/724559274.db2.gz RANQUYXSMKMFHQ-SNVBAGLBSA-N 0 0 351.444 3.039 20 10 FGCDRN CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000781903357 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HQZGGCMQKXAKGV-CYBMUJFWSA-N 0 0 362.857 3.358 20 10 FGCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(F)c(C(F)(F)F)c1 ZINC000755580526 722954625 /nfs/dbraw/zinc/95/46/25/722954625.db2.gz DPPNXHNMEKAONG-WQLSENKSSA-N 0 0 360.332 3.147 20 10 FGCDRN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756398498 722963960 /nfs/dbraw/zinc/96/39/60/722963960.db2.gz JFGCPDXZDYOCKL-NSHDSACASA-N 0 0 350.365 3.219 20 10 FGCDRN CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])N1CCOCC1 ZINC000756399374 722963989 /nfs/dbraw/zinc/96/39/89/722963989.db2.gz NVOVONZFELNZDY-FZKQIMNGSA-N 0 0 356.457 3.458 20 10 FGCDRN C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756481863 722965342 /nfs/dbraw/zinc/96/53/42/722965342.db2.gz YZCXELUITHMUAD-SECBINFHSA-N 0 0 363.683 3.327 20 10 FGCDRN C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756708035 722968850 /nfs/dbraw/zinc/96/88/50/722968850.db2.gz LZYORYAXEMHLHC-LLVKDONJSA-N 0 0 352.356 3.280 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000756778640 722969951 /nfs/dbraw/zinc/96/99/51/722969951.db2.gz OFWORULKWQUQOI-GCOQZVFPSA-N 0 0 353.509 3.209 20 10 FGCDRN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756782561 722969998 /nfs/dbraw/zinc/96/99/98/722969998.db2.gz RTDAMVUEWLCHEN-QMMMGPOBSA-N 0 0 363.683 3.231 20 10 FGCDRN COC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-])OC ZINC000757639160 722977785 /nfs/dbraw/zinc/97/77/85/722977785.db2.gz NQWAIPQYIGATSN-PSASIEDQSA-N 0 0 352.656 3.120 20 10 FGCDRN CCN(CC)c1ccc(CNC(=S)NC[C@H]2CCCCO2)cc1F ZINC000758232782 722986680 /nfs/dbraw/zinc/98/66/80/722986680.db2.gz DBPZARYCXQWZKW-OAHLLOKOSA-N 0 0 353.507 3.205 20 10 FGCDRN C[C@H](NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000758573209 722991894 /nfs/dbraw/zinc/99/18/94/722991894.db2.gz PXSKJSPJJPDUST-QWRGUYRKSA-N 0 0 363.797 3.174 20 10 FGCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])[C@]12CCCO2 ZINC000759178626 723000985 /nfs/dbraw/zinc/00/09/85/723000985.db2.gz ZYSZNBGZZMHIDJ-ZMSDIMECSA-N 0 0 370.287 3.279 20 10 FGCDRN O=C(NCCCSc1nccs1)NCCOc1ccc(F)cc1 ZINC000759563197 723009213 /nfs/dbraw/zinc/00/92/13/723009213.db2.gz ABLFJRFIIYOCFB-UHFFFAOYSA-N 0 0 355.460 3.143 20 10 FGCDRN C[C@H](Cc1cccc(O)c1)NC(=O)NCCCSc1nccs1 ZINC000759570113 723009612 /nfs/dbraw/zinc/00/96/12/723009612.db2.gz NTQSTJJCCUHYQO-GFCCVEGCSA-N 0 0 351.497 3.261 20 10 FGCDRN COC[C@H](Cc1ccccc1)NC(=O)NCCCSc1nccs1 ZINC000759585335 723010151 /nfs/dbraw/zinc/01/01/51/723010151.db2.gz UDFFWKLYYZSLTB-HNNXBMFYSA-N 0 0 365.524 3.182 20 10 FGCDRN Cn1cnc2cc(/C=C3\SC(=S)N(c4cccnc4)C3=O)ccc21 ZINC000761200304 723132464 /nfs/dbraw/zinc/13/24/64/723132464.db2.gz JIZPYZRNFJAVJH-NVNXTCNLSA-N 0 0 352.444 3.374 20 10 FGCDRN CCOc1cccc(CNc2cc(Cl)cc(C(N)=O)c2OC)c1O ZINC000790653026 723164357 /nfs/dbraw/zinc/16/43/57/723164357.db2.gz OORYUPXUCKIWTL-UHFFFAOYSA-N 0 0 350.802 3.164 20 10 FGCDRN COC(=O)[C@H](CC(F)F)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000762355079 723236219 /nfs/dbraw/zinc/23/62/19/723236219.db2.gz GEIYYWYLZUHFCW-HNNXBMFYSA-N 0 0 350.365 3.021 20 10 FGCDRN Cc1cc(C(=O)OCC[C@H]2CNC(=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000792003801 723302017 /nfs/dbraw/zinc/30/20/17/723302017.db2.gz IORXIZOUKKHDTQ-CQSZACIVSA-N 0 0 360.841 3.431 20 10 FGCDRN C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@H](C)S1=O ZINC000792192337 723320158 /nfs/dbraw/zinc/32/01/58/723320158.db2.gz MRJMOORRUIBHJE-HOTGVXAUSA-N 0 0 359.491 3.313 20 10 FGCDRN Cc1nn(CC(F)(F)F)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000763205295 723321974 /nfs/dbraw/zinc/32/19/74/723321974.db2.gz ONEBKBQDAXKNNM-UHFFFAOYSA-N 0 0 354.376 3.092 20 10 FGCDRN O=C(O[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1=CC(=O)CS1 ZINC000763692949 723361570 /nfs/dbraw/zinc/36/15/70/723361570.db2.gz UCQYHIWLZLSWIZ-LBPRGKRZSA-N 0 0 355.774 3.209 20 10 FGCDRN CCO[C@H](CCNC(=O)NCc1ccc(OC)cc1O)C1CCCC1 ZINC000792969410 723388213 /nfs/dbraw/zinc/38/82/13/723388213.db2.gz BOMJRNHQDAYXCE-GOSISDBHSA-N 0 0 350.459 3.185 20 10 FGCDRN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000793106529 723400410 /nfs/dbraw/zinc/40/04/10/723400410.db2.gz QUSFIVYQDOOFCW-QFBILLFUSA-N 0 0 364.555 3.433 20 10 FGCDRN COc1cc(Br)cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000793214586 723411984 /nfs/dbraw/zinc/41/19/84/723411984.db2.gz PDCKAANSWXDPBB-BONVTDFDSA-N 0 0 356.260 3.163 20 10 FGCDRN COc1ccc(CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)c(O)c1 ZINC000793385562 723432840 /nfs/dbraw/zinc/43/28/40/723432840.db2.gz BXJKYRQNEBICKC-UHFFFAOYSA-N 0 0 362.792 3.064 20 10 FGCDRN COc1cc(Cl)cc(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793621487 723456188 /nfs/dbraw/zinc/45/61/88/723456188.db2.gz XCQKPWMQCSYASG-SFHVURJKSA-N 0 0 360.885 3.413 20 10 FGCDRN Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000793849041 723473180 /nfs/dbraw/zinc/47/31/80/723473180.db2.gz NXCMXPBVSVWJPU-ZIAGYGMSSA-N 0 0 359.495 3.177 20 10 FGCDRN C[C@H]1CCN(S(=O)(=O)c2cccc3nonc32)c2ccccc2S1 ZINC000765062178 723474628 /nfs/dbraw/zinc/47/46/28/723474628.db2.gz WHOKCXSVKYXGGS-NSHDSACASA-N 0 0 361.448 3.302 20 10 FGCDRN CC(C)(C)n1cc(NC(=O)NCc2cccc(Br)c2O)cn1 ZINC000765303035 723504617 /nfs/dbraw/zinc/50/46/17/723504617.db2.gz LDBUKHWNILSWQS-UHFFFAOYSA-N 0 0 367.247 3.428 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(Br)ccn2)c1 ZINC000794335630 723510635 /nfs/dbraw/zinc/51/06/35/723510635.db2.gz BHQYNVNXTPOABE-SECBINFHSA-N 0 0 366.215 3.441 20 10 FGCDRN O=C(NCc1cccc(Br)c1O)C(=O)c1ccc2c(c1)CCC2 ZINC000765731696 723535782 /nfs/dbraw/zinc/53/57/82/723535782.db2.gz KIRKOZUWAXJYOK-UHFFFAOYSA-N 0 0 374.234 3.143 20 10 FGCDRN O=C(C[C@H](O)c1cccc(F)c1)NCc1cccc(Br)c1O ZINC000765730277 723535857 /nfs/dbraw/zinc/53/58/57/723535857.db2.gz RUXIDQHIIZXYDD-AWEZNQCLSA-N 0 0 368.202 3.034 20 10 FGCDRN CO[C@H](C(=O)NCc1cccc(Br)c1O)c1ccccc1 ZINC000765729103 723535994 /nfs/dbraw/zinc/53/59/94/723535994.db2.gz YLPYPLRSPMQPCA-HNNXBMFYSA-N 0 0 350.212 3.159 20 10 FGCDRN COc1cccc(CC(=O)NCc2cccc(Br)c2O)c1 ZINC000765729269 723536027 /nfs/dbraw/zinc/53/60/27/723536027.db2.gz ZVSHOJWXPLTCQF-UHFFFAOYSA-N 0 0 350.212 3.022 20 10 FGCDRN C[C@@H](Oc1cccc(F)c1)C(=O)NCc1cccc(Br)c1O ZINC000765733250 723536371 /nfs/dbraw/zinc/53/63/71/723536371.db2.gz WDMUGPPELYMAMY-SNVBAGLBSA-N 0 0 368.202 3.378 20 10 FGCDRN COc1ccc(F)cc1C(=O)NCc1cccc(Br)c1O ZINC000765750751 723537874 /nfs/dbraw/zinc/53/78/74/723537874.db2.gz LDXHHEQHTRIEKI-UHFFFAOYSA-N 0 0 354.175 3.232 20 10 FGCDRN O=C(NCc1cccc(Br)c1O)c1ccnn1C1CCCC1 ZINC000765755145 723538396 /nfs/dbraw/zinc/53/83/96/723538396.db2.gz GTDMTWJZHROZGK-UHFFFAOYSA-N 0 0 364.243 3.396 20 10 FGCDRN COc1cccc(OC)c1C(=O)NCc1cccc(Br)c1O ZINC000765771211 723539657 /nfs/dbraw/zinc/53/96/57/723539657.db2.gz VOWRATBKTQDTAK-UHFFFAOYSA-N 0 0 366.211 3.102 20 10 FGCDRN O=C(NCc1cccc(Br)c1O)c1cc(F)ccc1[N+](=O)[O-] ZINC000765771255 723539783 /nfs/dbraw/zinc/53/97/83/723539783.db2.gz XONYFRNJNTWGAG-UHFFFAOYSA-N 0 0 369.146 3.132 20 10 FGCDRN CCN1C(=O)/C(=C/c2c(C)nn(-c3ccccn3)c2Cl)SC1=S ZINC000794692947 723541079 /nfs/dbraw/zinc/54/10/79/723541079.db2.gz YEHBDQYUJZUEJU-FLIBITNWSA-N 0 0 364.883 3.450 20 10 FGCDRN COc1ccc(CNC(=O)Nc2ccc(Br)cc2)c(O)c1 ZINC000794762542 723544869 /nfs/dbraw/zinc/54/48/69/723544869.db2.gz XBIDIEBIPUDIIU-UHFFFAOYSA-N 0 0 351.200 3.485 20 10 FGCDRN O=C1/C(=C\c2c(F)ccc(O)c2F)SC(=S)N1c1cccnc1 ZINC000794930967 723552278 /nfs/dbraw/zinc/55/22/78/723552278.db2.gz IEWYHYUKKLSYIW-WUXMJOGZSA-N 0 0 350.371 3.471 20 10 FGCDRN COc1cccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000795074113 723560557 /nfs/dbraw/zinc/56/05/57/723560557.db2.gz VWHVKJLRPHNGGL-UHFFFAOYSA-N 0 0 362.495 3.361 20 10 FGCDRN CCc1ccc(S(=O)(=O)NCc2cccc(Br)c2O)cc1 ZINC000766206972 723561244 /nfs/dbraw/zinc/56/12/44/723561244.db2.gz KKBCMCNNHMJRJJ-UHFFFAOYSA-N 0 0 370.268 3.196 20 10 FGCDRN CC[C@@H](NC(=O)NCc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)(F)F ZINC000766252136 723564841 /nfs/dbraw/zinc/56/48/41/723564841.db2.gz PJKVQQIMOQJOJY-HUUCEWRRSA-N 0 0 361.408 3.034 20 10 FGCDRN COc1ccc(C=C2SC(=S)NC2=O)c(OCc2cccnc2)c1 ZINC000766483261 723576257 /nfs/dbraw/zinc/57/62/57/723576257.db2.gz FUSJKYGFVVOKMF-VIZOYTHASA-N 0 0 358.444 3.158 20 10 FGCDRN S=C(NCc1ccc2c(n1)CCCC2)Nc1ccc2c(c1)OCCO2 ZINC000766524418 723578591 /nfs/dbraw/zinc/57/85/91/723578591.db2.gz ZPDPSZNSAIFZCX-UHFFFAOYSA-N 0 0 355.463 3.218 20 10 FGCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)CC(F)(F)F)CC2)cc1 ZINC000766659174 723585186 /nfs/dbraw/zinc/58/51/86/723585186.db2.gz QXXRALUDAMJAQQ-LBPRGKRZSA-N 0 0 359.392 3.304 20 10 FGCDRN O=C(COC(=O)C1=CC(=O)CS1)Cc1ccc(Br)cc1 ZINC000795506230 723595601 /nfs/dbraw/zinc/59/56/01/723595601.db2.gz NWCADFFCUBZSIF-UHFFFAOYSA-N 0 0 355.209 3.185 20 10 FGCDRN Oc1c(Br)cccc1CNc1cn(Cc2ccccc2)nn1 ZINC000795804960 723610262 /nfs/dbraw/zinc/61/02/62/723610262.db2.gz AEYZCFWMDYGPOH-UHFFFAOYSA-N 0 0 359.227 3.407 20 10 FGCDRN CCN(CC)c1ccc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1F ZINC000796035254 723618344 /nfs/dbraw/zinc/61/83/44/723618344.db2.gz CSIULIHMNGITNF-JXFKEZNVSA-N 0 0 350.478 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CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2nc(C)cs2)c1O ZINC000189303833 497074843 /nfs/dbraw/zinc/07/48/43/497074843.db2.gz NBZARMISSKLHKV-OAHLLOKOSA-N 0 0 350.415 3.072 20 10 FGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(C)c3C)c2)CC1 ZINC000189339165 497087220 /nfs/dbraw/zinc/08/72/20/497087220.db2.gz HRFPHJWTYYESQV-UHFFFAOYSA-N 0 0 351.450 3.224 20 10 FGCDRN CO[C@@](C)(C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1F ZINC000192361485 497088632 /nfs/dbraw/zinc/08/86/32/497088632.db2.gz GNYXEBZGNJLBGP-HXUWFJFHSA-N 0 0 358.413 3.179 20 10 FGCDRN COc1ccc(N2CCN(C(=O)c3cccc([C@@H]4CCOC4)c3)CC2)cc1 ZINC000270468728 497134241 /nfs/dbraw/zinc/13/42/41/497134241.db2.gz GUCYJIXQJXVZMN-LJQANCHMSA-N 0 0 366.461 3.162 20 10 FGCDRN COc1c(O)c(CN[C@@H](c2nc(C3CC3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000278524580 497142740 /nfs/dbraw/zinc/14/27/40/497142740.db2.gz SXNHPMBHXSYGQM-CYBMUJFWSA-N 0 0 362.386 3.056 20 10 FGCDRN CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000278556480 497153376 /nfs/dbraw/zinc/15/33/76/497153376.db2.gz WFCKZDHYIGWSNG-OAVHHTNSSA-N 0 0 351.397 3.315 20 10 FGCDRN COc1cc(C)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000274829923 497178140 /nfs/dbraw/zinc/17/81/40/497178140.db2.gz DZORUVKJIDGORA-UHFFFAOYSA-N 0 0 373.428 3.301 20 10 FGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)nc1C1CCCCC1 ZINC000274902373 497195178 /nfs/dbraw/zinc/19/51/78/497195178.db2.gz GSDGPSAOHHHREY-CYBMUJFWSA-N 0 0 357.454 3.240 20 10 FGCDRN Cc1cnccc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000274947437 497203205 /nfs/dbraw/zinc/20/32/05/497203205.db2.gz HJMCGHPSHMSDLB-HZPDHXFCSA-N 0 0 371.456 3.002 20 10 FGCDRN COc1ccc(SCCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000274944552 497203268 /nfs/dbraw/zinc/20/32/68/497203268.db2.gz QKYVNSZGXDITAU-CYBMUJFWSA-N 0 0 361.463 3.336 20 10 FGCDRN Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)c(C)n1-c1ccccn1 ZINC000270962050 497234561 /nfs/dbraw/zinc/23/45/61/497234561.db2.gz RRGWTQQKRDHHKP-AEFFLSMTSA-N 0 0 351.450 3.463 20 10 FGCDRN COc1c(O)c(CNCc2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000278921062 497268301 /nfs/dbraw/zinc/26/83/01/497268301.db2.gz UTRCDVJJAUKALA-UHFFFAOYSA-N 0 0 351.428 3.353 20 10 FGCDRN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])CC2 ZINC000193019646 497277041 /nfs/dbraw/zinc/27/70/41/497277041.db2.gz COYDRTRDEBXBNF-ZJUUUORDSA-N 0 0 371.268 3.103 20 10 FGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1ncn(C)n1 ZINC000275404610 497315495 /nfs/dbraw/zinc/31/54/95/497315495.db2.gz BRJKGRCFDKQESR-OAHLLOKOSA-N 0 0 370.501 3.144 20 10 FGCDRN CC(=O)N1CCN(c2cccc(NCc3ccc(N(C)C)c(F)c3)c2)CC1 ZINC000275438099 497326362 /nfs/dbraw/zinc/32/63/62/497326362.db2.gz DYXQVULHOHXGPC-UHFFFAOYSA-N 0 0 370.472 3.172 20 10 FGCDRN Cc1nsc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000266407783 497330545 /nfs/dbraw/zinc/33/05/45/497330545.db2.gz QFQBHGRQOJTTFR-UHFFFAOYSA-N 0 0 358.389 3.314 20 10 FGCDRN C[C@H]1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000275537947 497357956 /nfs/dbraw/zinc/35/79/56/497357956.db2.gz RVAUPELGBOSDQO-LPHOPBHVSA-N 0 0 372.509 3.123 20 10 FGCDRN C[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1cccs1 ZINC000255572543 497369622 /nfs/dbraw/zinc/36/96/22/497369622.db2.gz SDSMBTQPYICTDR-NVXWUHKLSA-N 0 0 374.506 3.312 20 10 FGCDRN Cc1cc(C(=O)NCc2nnc3n2CCC3)c(C)n1-c1cc(C)cc(C)c1 ZINC000267191570 497500470 /nfs/dbraw/zinc/50/04/70/497500470.db2.gz KPARVODIHFNTRQ-UHFFFAOYSA-N 0 0 363.465 3.179 20 10 FGCDRN COCCC[C@H](C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272094330 497534615 /nfs/dbraw/zinc/53/46/15/497534615.db2.gz JQPHKBNLEDQDIC-JYJNAYRXSA-N 0 0 366.477 3.118 20 10 FGCDRN COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC000267608175 497587074 /nfs/dbraw/zinc/58/70/74/497587074.db2.gz QVNDFVCDDJTGLA-UHFFFAOYSA-N 0 0 369.417 3.150 20 10 FGCDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000267953723 497645636 /nfs/dbraw/zinc/64/56/36/497645636.db2.gz XIJLVCOGSVKFMX-UHFFFAOYSA-N 0 0 369.421 3.119 20 10 FGCDRN COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1 ZINC000268343342 497730291 /nfs/dbraw/zinc/73/02/91/497730291.db2.gz GVQCLMKQMNOEMW-MRXNPFEDSA-N 0 0 371.437 3.317 20 10 FGCDRN C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000191189283 497737695 /nfs/dbraw/zinc/73/76/95/497737695.db2.gz ZZNXFWMJOSWQHT-KSSFIOAISA-N 0 0 362.420 3.395 20 10 FGCDRN C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191197816 497740609 /nfs/dbraw/zinc/74/06/09/497740609.db2.gz MYVYHNZYSDGHJG-LLVKDONJSA-N 0 0 350.365 3.219 20 10 FGCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280394695 497740835 /nfs/dbraw/zinc/74/08/35/497740835.db2.gz XFKKVVVDYUCRHQ-CYBMUJFWSA-N 0 0 372.299 3.022 20 10 FGCDRN CN(C)c1ccc(C[NH2+][C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cc1 ZINC000277222398 497780207 /nfs/dbraw/zinc/78/02/07/497780207.db2.gz HYJYTBDFPUSOIA-LJQANCHMSA-N 0 0 355.413 3.159 20 10 FGCDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000299561630 497847542 /nfs/dbraw/zinc/84/75/42/497847542.db2.gz ZUCVPMWFUSQGIF-AWEZNQCLSA-N 0 0 355.438 3.376 20 10 FGCDRN O=C(CCc1cccc(F)c1F)NCc1ccc(N2CCOCC2)cc1 ZINC000299588707 497859142 /nfs/dbraw/zinc/85/91/42/497859142.db2.gz MDAKIIVVMOSCKY-UHFFFAOYSA-N 0 0 360.404 3.050 20 10 FGCDRN CC(C)O[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000292112728 497883869 /nfs/dbraw/zinc/88/38/69/497883869.db2.gz DIWLNZJBYURJQJ-OAQYLSRUSA-N 0 0 368.477 3.306 20 10 FGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CC2OCCCO2)cc1 ZINC000280780876 497895164 /nfs/dbraw/zinc/89/51/64/497895164.db2.gz FSASHBCFPGHVBF-UHFFFAOYSA-N 0 0 358.438 3.028 20 10 FGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(CC(F)F)CC1 ZINC000280961189 497966550 /nfs/dbraw/zinc/96/65/50/497966550.db2.gz NHBPOCYJDWICSL-UHFFFAOYSA-N 0 0 353.457 3.078 20 10 FGCDRN COc1ccc(O)c([C@H](C)Nc2ccc3nnc(C(F)(F)F)n3n2)c1 ZINC000301180117 497986690 /nfs/dbraw/zinc/98/66/90/497986690.db2.gz HNAKXJZSZBCMAJ-QMMMGPOBSA-N 0 0 353.304 3.030 20 10 FGCDRN C[C@@H](Nc1nc2ccccc2c(=O)[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000301206291 497999230 /nfs/dbraw/zinc/99/92/30/497999230.db2.gz QGHAPEIDLYWVSF-CQSZACIVSA-N 0 0 350.422 3.345 20 10 FGCDRN CN(Cc1cccs1)c1ccc(CNCc2nnc3n2CCC3)cc1 ZINC000296374505 498017753 /nfs/dbraw/zinc/01/77/53/498017753.db2.gz KDQVSLLBQNLZHY-UHFFFAOYSA-N 0 0 353.495 3.212 20 10 FGCDRN c1cc(N2CCSCC2)ccc1CNc1cc(NCC2CC2)ncn1 ZINC000301295325 498043437 /nfs/dbraw/zinc/04/34/37/498043437.db2.gz RLFHSMRIGKEPMI-UHFFFAOYSA-N 0 0 355.511 3.464 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000296456486 498051268 /nfs/dbraw/zinc/05/12/68/498051268.db2.gz NAVWUPGZGZFMKH-JTQLQIEISA-N 0 0 354.328 3.443 20 10 FGCDRN CCc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)o1 ZINC000292567479 498062898 /nfs/dbraw/zinc/06/28/98/498062898.db2.gz CHIYZERZFOBOJF-SFHVURJKSA-N 0 0 371.481 3.433 20 10 FGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Cl)nn2)cc1 ZINC000281265245 498079318 /nfs/dbraw/zinc/07/93/18/498079318.db2.gz VTUFJBXKKUSESJ-UHFFFAOYSA-N 0 0 372.778 3.401 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncsc1Br ZINC000289275991 498087729 /nfs/dbraw/zinc/08/77/29/498087729.db2.gz RYDXSAVBQVIYDT-UHFFFAOYSA-N 0 0 368.256 3.011 20 10 FGCDRN CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1cccc(Cl)c1[O-] ZINC000296615620 498122262 /nfs/dbraw/zinc/12/22/62/498122262.db2.gz WMUWOPZPJIXUAU-MRXNPFEDSA-N 0 0 357.878 3.299 20 10 FGCDRN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCOc3cc(N(C)C)ccc31)CC2 ZINC000364772222 498136006 /nfs/dbraw/zinc/13/60/06/498136006.db2.gz RRWRRISSVPTGPD-AWEZNQCLSA-N 0 0 368.481 3.130 20 10 FGCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCc4cnn(C)c4C3)cc2)CC1 ZINC000281418761 498143670 /nfs/dbraw/zinc/14/36/70/498143670.db2.gz YTQMXWSIBPQMPG-GOSISDBHSA-N 0 0 366.509 3.078 20 10 FGCDRN CCn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C(F)(F)F)n1 ZINC000281435710 498151017 /nfs/dbraw/zinc/15/10/17/498151017.db2.gz ZDQQRNFOUFABHL-UHFFFAOYSA-N 0 0 367.371 3.436 20 10 FGCDRN COc1cccc(CNC(=O)NCC2CCN(c3ccccc3)CC2)c1O ZINC000281445323 498153361 /nfs/dbraw/zinc/15/33/61/498153361.db2.gz FJZCZELSGPESFV-UHFFFAOYSA-N 0 0 369.465 3.117 20 10 FGCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ncoc3C3CC3)cc2F)C[C@@H](C)O1 ZINC000292938871 498204378 /nfs/dbraw/zinc/20/43/78/498204378.db2.gz ZTJWTSYGBLNREU-CHWSQXEVSA-N 0 0 373.428 3.235 20 10 FGCDRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301697639 498228804 /nfs/dbraw/zinc/22/88/04/498228804.db2.gz QPTCCVXUAAOJDQ-AAEUAGOBSA-N 0 0 371.368 3.447 20 10 FGCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1F ZINC000297025156 498291710 /nfs/dbraw/zinc/29/17/10/498291710.db2.gz LTPPWAAFEFLGLV-VQIMIIECSA-N 0 0 372.444 3.006 20 10 FGCDRN CC[C@@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccc(F)cc1[O-] ZINC000286200454 498321991 /nfs/dbraw/zinc/32/19/91/498321991.db2.gz RPYOSIDJFNGIDC-MJGOQNOKSA-N 0 0 369.440 3.411 20 10 FGCDRN O=[N+]([O-])c1ccsc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000301926003 498331788 /nfs/dbraw/zinc/33/17/88/498331788.db2.gz HHCYCLAFNJGKKM-UHFFFAOYSA-N 0 0 351.403 3.369 20 10 FGCDRN CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000286242123 498336055 /nfs/dbraw/zinc/33/60/55/498336055.db2.gz UAHYAJLMBMEACS-KRWDZBQOSA-N 0 0 351.443 3.317 20 10 FGCDRN COc1cc([N+](=O)[O-])c(N2CCC(n3cc(Cl)cn3)CC2)cc1OC ZINC000302054684 498386849 /nfs/dbraw/zinc/38/68/49/498386849.db2.gz YUPAETYYLGJEHY-UHFFFAOYSA-N 0 0 366.805 3.303 20 10 FGCDRN Cc1nc([C@@H](NCc2cccc(C)c2O)c2ccc3c(c2)OCCO3)no1 ZINC000362043060 498457068 /nfs/dbraw/zinc/45/70/68/498457068.db2.gz VSGRDESKYHUIEB-SFHVURJKSA-N 0 0 367.405 3.042 20 10 FGCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000286711053 498484029 /nfs/dbraw/zinc/48/40/29/498484029.db2.gz WTAOSJYHLHFTBU-RISCZKNCSA-N 0 0 365.779 3.241 20 10 FGCDRN Fc1cccc2c(NCc3ccc(N4CCOCC4)c(F)c3)ncnc12 ZINC000302663010 498526471 /nfs/dbraw/zinc/52/64/71/498526471.db2.gz IVCCEJIAPPUUFN-UHFFFAOYSA-N 0 0 356.376 3.357 20 10 FGCDRN CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(OC)c(OC)c1 ZINC000286927276 498556499 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Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(O)c1O ZINC000376170080 499588608 /nfs/dbraw/zinc/58/86/08/499588608.db2.gz DRALPENKVVVTMP-KZNAEPCWSA-N 0 0 353.418 3.051 20 10 FGCDRN CN(C)c1ccc(CN(C(=O)C[C@@H]2c3ccccc3NC2=O)C2CC2)cc1 ZINC000377476511 499694891 /nfs/dbraw/zinc/69/48/91/499694891.db2.gz INIAXZRSTNDSLI-LJQANCHMSA-N 0 0 363.461 3.370 20 10 FGCDRN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000377622674 499711876 /nfs/dbraw/zinc/71/18/76/499711876.db2.gz HDJOSAFJHJANTR-AWEZNQCLSA-N 0 0 353.768 3.334 20 10 FGCDRN COc1c(O)c(CN[C@H]2COc3cccc(Cl)c32)ccc1[N+](=O)[O-] ZINC000377882060 499744974 /nfs/dbraw/zinc/74/49/74/499744974.db2.gz CFWZHYGUKJTVFT-NSHDSACASA-N 0 0 350.758 3.186 20 10 FGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3csnn3)ccc21 ZINC000412796505 499885517 /nfs/dbraw/zinc/88/55/17/499885517.db2.gz REEKYFLFHLLLKS-GFCCVEGCSA-N 0 0 358.467 3.247 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000437009343 500592454 /nfs/dbraw/zinc/59/24/54/500592454.db2.gz GZTVRWUYISHSRR-UHFFFAOYSA-N 0 0 367.361 3.446 20 10 FGCDRN Cc1ccc(-c2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)n[nH]2)cc1 ZINC000437017668 500593206 /nfs/dbraw/zinc/59/32/06/500593206.db2.gz ZEXGSZCUCRDXEG-UHFFFAOYSA-N 0 0 362.433 3.490 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccc([S@](C)=O)cc1 ZINC000437181724 500611414 /nfs/dbraw/zinc/61/14/14/500611414.db2.gz GUXNOVDAIAFMAK-VWLOTQADSA-N 0 0 354.475 3.083 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000450048827 501164333 /nfs/dbraw/zinc/16/43/33/501164333.db2.gz OTODLPSRELPSDO-MRXNPFEDSA-N 0 0 351.450 3.005 20 10 FGCDRN COC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCC(F)(F)CC1 ZINC000611656852 506245494 /nfs/dbraw/zinc/24/54/94/506245494.db2.gz GHXDTXRONFDKFQ-UHFFFAOYSA-N 0 0 354.397 3.073 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000471233238 501962659 /nfs/dbraw/zinc/96/26/59/501962659.db2.gz CHVPLDJUASYWDX-UHFFFAOYSA-N 0 0 370.474 3.129 20 10 FGCDRN Cc1c(NC(=O)c2ccc(C3=S=CC=C3)o2)n(C)nc1C(F)(F)F ZINC000461198766 502035564 /nfs/dbraw/zinc/03/55/64/502035564.db2.gz SFUUEXJDKLXMDO-UHFFFAOYSA-N 0 0 355.341 3.218 20 10 FGCDRN Cc1cc(C)n(CCCNC(=O)NCc2c(C)c3ccccc3n2C)n1 ZINC000471486845 502043274 /nfs/dbraw/zinc/04/32/74/502043274.db2.gz CWGRZXSMQGLQKR-UHFFFAOYSA-N 0 0 353.470 3.190 20 10 FGCDRN CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000461558604 502144094 /nfs/dbraw/zinc/14/40/94/502144094.db2.gz KEIAYRQFPCGOFE-LHSJRXKWSA-N 0 0 360.498 3.431 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000472232284 502279166 /nfs/dbraw/zinc/27/91/66/502279166.db2.gz IVVQFQABUFPLJG-QFBILLFUSA-N 0 0 357.498 3.425 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000475951275 502342303 /nfs/dbraw/zinc/34/23/03/502342303.db2.gz DSVZHOXEPCOWKP-IBGZPJMESA-N 0 0 373.884 3.434 20 10 FGCDRN CCCc1cnc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000472805748 502446223 /nfs/dbraw/zinc/44/62/23/502446223.db2.gz IPPIDMNZKLWZGT-UHFFFAOYSA-N 0 0 370.478 3.151 20 10 FGCDRN CCc1n[nH]c(=O)c(C(=O)NCc2c(C)c3ccccc3n2C)c1CC ZINC000473275017 502556714 /nfs/dbraw/zinc/55/67/14/502556714.db2.gz GSVVRRSWLRPZHO-UHFFFAOYSA-N 0 0 352.438 3.037 20 10 FGCDRN CC(C)c1nnc2c(N3CC=C(c4c[nH]c5ncccc45)CC3)nccn21 ZINC000489381692 502943335 /nfs/dbraw/zinc/94/33/35/502943335.db2.gz VWTDCDDWLIFBFB-UHFFFAOYSA-N 0 0 359.437 3.418 20 10 FGCDRN CCCCCN(CC(N)=O)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000507665292 503342513 /nfs/dbraw/zinc/34/25/13/503342513.db2.gz CTHYYAZBQSNGSD-UHFFFAOYSA-N 0 0 373.497 3.022 20 10 FGCDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)NCc4c(C)c5ccccc5n4C)[C@H]1[C@H]3C2 ZINC000503367352 503395365 /nfs/dbraw/zinc/39/53/65/503395365.db2.gz AQJXPULVQDSRRD-ZJHALOJTSA-N 0 0 353.466 3.052 20 10 FGCDRN COC1=CC(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)=S=C1 ZINC000542299341 504442040 /nfs/dbraw/zinc/44/20/40/504442040.db2.gz BEGVMCXDNGPOSZ-UHFFFAOYSA-N 0 0 355.419 3.113 20 10 FGCDRN COCCOc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000542944483 504667567 /nfs/dbraw/zinc/66/75/67/504667567.db2.gz USNWLQLVLOFVMS-UHFFFAOYSA-N 0 0 371.437 3.209 20 10 FGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)C(C)(C)C3)ccc21 ZINC000550115427 504969841 /nfs/dbraw/zinc/96/98/41/504969841.db2.gz KWLDFWFYTITKSQ-UHFFFAOYSA-N 0 0 357.498 3.071 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000608250458 506474676 /nfs/dbraw/zinc/47/46/76/506474676.db2.gz JITPSMJKOIUKPK-UHFFFAOYSA-N 0 0 365.433 3.067 20 10 FGCDRN Cc1cc(C(=O)N2CCC(C)CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737232946 598609133 /nfs/dbraw/zinc/60/91/33/598609133.db2.gz BDHUDEDEWUJQPS-UHFFFAOYSA-N 0 0 364.453 3.146 20 10 FGCDRN Cc1cc(C(=O)N[C@H](C)C(C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235516 598610646 /nfs/dbraw/zinc/61/06/46/598610646.db2.gz WGKZKQCZSSHDCB-CYBMUJFWSA-N 0 0 352.442 3.049 20 10 FGCDRN CC(C)CN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000735818331 598819575 /nfs/dbraw/zinc/81/95/75/598819575.db2.gz MFWDJHFLPLWDSP-FPYGCLRLSA-N 0 0 366.400 3.103 20 10 FGCDRN COc1ccc(N2CCC(Nc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000821832108 599518977 /nfs/dbraw/zinc/51/89/77/599518977.db2.gz ZXLYNCUHNPQQJW-UHFFFAOYSA-N 0 0 368.416 3.095 20 10 FGCDRN COc1ccc(N2CCC([NH2+][C@@H](C(=O)[O-])c3ccccc3F)CC2)cc1 ZINC000832384269 600746772 /nfs/dbraw/zinc/74/67/72/600746772.db2.gz WYEDZOKMGGHWLZ-LJQANCHMSA-N 0 0 358.413 3.219 20 10 FGCDRN COc1ccc2ccc(O)c(C[NH+]3CCC(CN(C)C(=O)[O-])CC3)c2c1 ZINC000739943141 602374256 /nfs/dbraw/zinc/37/42/56/602374256.db2.gz TYWWEPOPRLFSCA-UHFFFAOYSA-N 0 0 358.438 3.376 20 10 FGCDRN C[C@H](NC(=O)[O-])C1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000739015718 602424550 /nfs/dbraw/zinc/42/45/50/602424550.db2.gz PISSOTPJWQBMKD-LBPRGKRZSA-N 0 0 350.459 3.263 20 10 FGCDRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1 ZINC000007166056 695564273 /nfs/dbraw/zinc/56/42/73/695564273.db2.gz ZSFCIJQWKHLMQN-DHDCSXOGSA-N 0 0 355.444 3.446 20 10 FGCDRN Cc1cc(C)[nH]c(=NNC(=S)Nc2cccc(Br)c2)n1 ZINC000008103976 695580585 /nfs/dbraw/zinc/58/05/85/695580585.db2.gz VJDLLTATKNPFCO-UHFFFAOYSA-N 0 0 352.261 3.169 20 10 FGCDRN Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000032406870 695743687 /nfs/dbraw/zinc/74/36/87/695743687.db2.gz SQNPGJQXUKKFKY-UHFFFAOYSA-N 0 0 362.495 3.327 20 10 FGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000048795211 695889660 /nfs/dbraw/zinc/88/96/60/695889660.db2.gz FQBGGTSSQTYBRE-LBPRGKRZSA-N 0 0 350.212 3.084 20 10 FGCDRN COc1cccc(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1O ZINC000068488415 695941048 /nfs/dbraw/zinc/94/10/48/695941048.db2.gz IEHFSLHDYCLAIX-UHFFFAOYSA-N 0 0 355.419 3.179 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)CSC ZINC000074327823 700191468 /nfs/dbraw/zinc/19/14/68/700191468.db2.gz WZEZFJCKQRRVBY-JTQLQIEISA-N 0 0 361.305 3.438 20 10 FGCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cscn1 ZINC000081203380 700330548 /nfs/dbraw/zinc/33/05/48/700330548.db2.gz IHBJUDYVOIOJDM-NSHDSACASA-N 0 0 353.394 3.143 20 10 FGCDRN Cc1cc(C(=O)NC[C@]2(O)CCSC2)c(C)n1-c1ccc(Cl)cc1 ZINC000082965845 700342667 /nfs/dbraw/zinc/34/26/67/700342667.db2.gz MGMVJMYZUWTQRK-GOSISDBHSA-N 0 0 364.898 3.345 20 10 FGCDRN CN(C)c1ccc(CN(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)cc1 ZINC000092069232 700430938 /nfs/dbraw/zinc/43/09/38/700430938.db2.gz XXDQRRBYJVIQGX-KRWDZBQOSA-N 0 0 364.898 3.366 20 10 FGCDRN CCOc1ccc(O)c(CN2CCN(C(=O)c3ccc(C)s3)CC2)c1 ZINC000092379813 700435586 /nfs/dbraw/zinc/43/55/86/700435586.db2.gz OOTSXWIAVLXCGA-UHFFFAOYSA-N 0 0 360.479 3.119 20 10 FGCDRN CN(Cc1nc2c(s1)CCCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000093336028 700450678 /nfs/dbraw/zinc/45/06/78/700450678.db2.gz LBDGZFDNIFNUAC-UHFFFAOYSA-N 0 0 357.523 3.491 20 10 FGCDRN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093863900 700455409 /nfs/dbraw/zinc/45/54/09/700455409.db2.gz FHWBWJRYUCGPRV-ZDUSSCGKSA-N 0 0 350.806 3.197 20 10 FGCDRN CN(C)c1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1 ZINC000101927720 700471854 /nfs/dbraw/zinc/47/18/54/700471854.db2.gz BQSCNTHHJCFPEC-UHFFFAOYSA-N 0 0 359.476 3.191 20 10 FGCDRN CCc1nc(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)cs1 ZINC000102378853 700475171 /nfs/dbraw/zinc/47/51/71/700475171.db2.gz IUNQXDLWMSHWNK-UHFFFAOYSA-N 0 0 354.479 3.481 20 10 FGCDRN Cc1cccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)c1 ZINC000102486254 700475852 /nfs/dbraw/zinc/47/58/52/700475852.db2.gz KSBDBFBXZJVTPA-GDNBJRDFSA-N 0 0 354.456 3.500 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000103631310 700487486 /nfs/dbraw/zinc/48/74/86/700487486.db2.gz UNPBUGGFUQKGLI-LLVKDONJSA-N 0 0 362.813 3.179 20 10 FGCDRN CC1CCN(c2ccc(CNS(=O)(=O)c3cccs3)cc2)CC1 ZINC000108403598 700525834 /nfs/dbraw/zinc/52/58/34/700525834.db2.gz VKEJVDMWHNLLCC-UHFFFAOYSA-N 0 0 350.509 3.463 20 10 FGCDRN COc1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000112361025 700559019 /nfs/dbraw/zinc/55/90/19/700559019.db2.gz OIICCSIEVZGANT-UHFFFAOYSA-N 0 0 368.886 3.235 20 10 FGCDRN Cc1cc(C(=O)N2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000112866611 700565313 /nfs/dbraw/zinc/56/53/13/700565313.db2.gz 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371.865 3.148 20 10 FGCDRN O=C(NCCCSc1nccs1)c1cccc2c1OCCCO2 ZINC000845504938 730859337 /nfs/dbraw/zinc/85/93/37/730859337.db2.gz FXWRTGPDINLAGU-UHFFFAOYSA-N 0 0 350.465 3.217 20 10 FGCDRN COc1ccc(N(C)CCN(C)c2nnc(-c3ccccn3)s2)cc1 ZINC000845674198 730878523 /nfs/dbraw/zinc/87/85/23/730878523.db2.gz WKYAUHHUVCLHQQ-UHFFFAOYSA-N 0 0 355.467 3.181 20 10 FGCDRN C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000846193146 730935976 /nfs/dbraw/zinc/93/59/76/730935976.db2.gz JZIMXZGSAMUIAP-YMTOWFKASA-N 0 0 364.667 3.000 20 10 FGCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000846477318 730958811 /nfs/dbraw/zinc/95/88/11/730958811.db2.gz RZDXQZRKEDQZEL-GJZGRUSLSA-N 0 0 359.809 3.237 20 10 FGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1scc2c1OCCO2 ZINC000847076590 731016257 /nfs/dbraw/zinc/01/62/57/731016257.db2.gz BJEXKHDMBAXSAS-ZDUSSCGKSA-N 0 0 360.479 3.255 20 10 FGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1scc2c1OCCO2 ZINC000847400472 731052529 /nfs/dbraw/zinc/05/25/29/731052529.db2.gz NRPVHOGZIWJXFZ-UHFFFAOYSA-N 0 0 358.463 3.440 20 10 FGCDRN COc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000847590734 731068580 /nfs/dbraw/zinc/06/85/80/731068580.db2.gz FXNAMJSOKIQKMO-AWEZNQCLSA-N 0 0 364.829 3.042 20 10 FGCDRN O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)C1=S=CC(Cl)=C1 ZINC000848229161 731147266 /nfs/dbraw/zinc/14/72/66/731147266.db2.gz JTINWSMNKHNETQ-UHFFFAOYSA-N 0 0 354.884 3.363 20 10 FGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cnsn1 ZINC000848427574 731164104 /nfs/dbraw/zinc/16/41/04/731164104.db2.gz YXMYWXBDNGZTHI-UHFFFAOYSA-N 0 0 360.464 3.485 20 10 FGCDRN CC[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H]1CCCCO1 ZINC000848442271 731165389 /nfs/dbraw/zinc/16/53/89/731165389.db2.gz AJHDMVWEOKVCOS-RDJZCZTQSA-N 0 0 359.495 3.394 20 10 FGCDRN C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C(=O)[O-] ZINC000848639306 731190627 /nfs/dbraw/zinc/19/06/27/731190627.db2.gz GZMZZGVSBAEUHN-GFCCVEGCSA-N 0 0 355.276 3.250 20 10 FGCDRN COCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2Cl)cc1C ZINC000849308848 731245437 /nfs/dbraw/zinc/24/54/37/731245437.db2.gz WTJXBAYLGMUUEN-UHFFFAOYSA-N 0 0 371.842 3.180 20 10 FGCDRN COc1cccc(OC)c1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850356572 731347618 /nfs/dbraw/zinc/34/76/18/731347618.db2.gz WZUVSWGKCWOXCR-UHFFFAOYSA-N 0 0 352.774 3.261 20 10 FGCDRN C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850412493 731353766 /nfs/dbraw/zinc/35/37/66/731353766.db2.gz ZORPZOGKSKIMOE-BZNIZROVSA-N 0 0 350.802 3.208 20 10 FGCDRN C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850497334 731364442 /nfs/dbraw/zinc/36/44/42/731364442.db2.gz UHFGGTMLCMNSPS-OTHYDSGKSA-N 0 0 363.323 3.373 20 10 FGCDRN COCc1nnc(CCOC(=O)c2sccc2-n2c(C)ccc2C)o1 ZINC000851440924 731459858 /nfs/dbraw/zinc/45/98/58/731459858.db2.gz MYLCHDGTFJISRM-UHFFFAOYSA-N 0 0 361.423 3.085 20 10 FGCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCc3sccc3C)C2)cc1 ZINC000852239641 731559931 /nfs/dbraw/zinc/55/99/31/731559931.db2.gz SMHPGZMCLOKFFW-OAHLLOKOSA-N 0 0 359.495 3.186 20 10 FGCDRN C[C@@H](NC(=O)N1CCO[C@H](CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000852260748 731562194 /nfs/dbraw/zinc/56/21/94/731562194.db2.gz BFAMSWCHBXDIDD-IUODEOHRSA-N 0 0 359.392 3.176 20 10 FGCDRN COCc1csc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000852566522 731601878 /nfs/dbraw/zinc/60/18/78/731601878.db2.gz HLGSGFRPQUAGLS-UHFFFAOYSA-N 0 0 360.479 3.478 20 10 FGCDRN COc1ccc(N2CCCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)cc1 ZINC000853214540 731681227 /nfs/dbraw/zinc/68/12/27/731681227.db2.gz JURLGXZOJIQLES-UHFFFAOYSA-N 0 0 362.817 3.369 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3cccc(Cl)c3F)C2)cc1 ZINC000855224424 731908709 /nfs/dbraw/zinc/90/87/09/731908709.db2.gz FYJJCHMPODNEOW-AWEZNQCLSA-N 0 0 362.832 3.425 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)COc3cccc(Cl)c3)C2)cc1 ZINC000855229801 731909058 /nfs/dbraw/zinc/90/90/58/731909058.db2.gz QNYGGANVJOGPLV-HNNXBMFYSA-N 0 0 360.841 3.123 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H](SC)c3ccccc3)C2)cc1 ZINC000855231450 731909285 /nfs/dbraw/zinc/90/92/85/731909285.db2.gz MXRVYXTYPTWYNW-LPHOPBHVSA-N 0 0 356.491 3.494 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)CSc3ccccc3C)C2)cc1 ZINC000855230363 731909297 /nfs/dbraw/zinc/90/92/97/731909297.db2.gz VSEZYOUGDWYKEO-INIZCTEOSA-N 0 0 356.491 3.491 20 10 FGCDRN COc1ccc(N2CC[C@@H](NC(=O)Cc3c(F)cccc3Cl)C2)cc1 ZINC000855234736 731909606 /nfs/dbraw/zinc/90/96/06/731909606.db2.gz LJGRNECMCNWQFX-CYBMUJFWSA-N 0 0 362.832 3.425 20 10 FGCDRN O=C(Cc1csc(-c2cccnc2)n1)NCc1cc(Cl)ccc1O ZINC000857547865 732136416 /nfs/dbraw/zinc/13/64/16/732136416.db2.gz XYOWXSLOYJWTGE-UHFFFAOYSA-N 0 0 359.838 3.423 20 10 FGCDRN OCCOCc1ccc(NCc2c(O)cccc2Br)cc1 ZINC000858182687 732190069 /nfs/dbraw/zinc/19/00/69/732190069.db2.gz CSFCEKGIDGSLRG-UHFFFAOYSA-N 0 0 352.228 3.276 20 10 FGCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCC(F)(F)C[C@@H]3C)C2)cc1 ZINC000858598065 732229805 /nfs/dbraw/zinc/22/98/05/732229805.db2.gz BKEKXGJGMGZAHM-UONOGXRCSA-N 0 0 353.413 3.103 20 10 FGCDRN C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000858602592 732230600 /nfs/dbraw/zinc/23/06/00/732230600.db2.gz DECVDXGXJRGSON-LKFCYVNXSA-N 0 0 371.250 3.098 20 10 FGCDRN C[C@]1(Br)C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000858836126 732251109 /nfs/dbraw/zinc/25/11/09/732251109.db2.gz SEHWZSQALGZXOJ-RDJZCZTQSA-N 0 0 351.288 3.467 20 10 FGCDRN C[C@]1(Br)C[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000858836128 732251119 /nfs/dbraw/zinc/25/11/19/732251119.db2.gz SEHWZSQALGZXOJ-WBVHZDCISA-N 0 0 351.288 3.467 20 10 FGCDRN CC(=O)c1cc(F)cc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000860093529 732448346 /nfs/dbraw/zinc/44/83/46/732448346.db2.gz CZQHVPUSNVDQRW-NSHDSACASA-N 0 0 354.422 3.079 20 10 FGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000860243540 732480327 /nfs/dbraw/zinc/48/03/27/732480327.db2.gz PKFJCNDXUOLYFM-JCURWCKSSA-N 0 0 374.234 3.062 20 10 FGCDRN O=C(NCc1ccc2cccnc2c1O)c1cnc([C@@H]2CCCO2)s1 ZINC000862027083 732762669 /nfs/dbraw/zinc/76/26/69/732762669.db2.gz ISSUSHQFTFYQNO-ZDUSSCGKSA-N 0 0 355.419 3.178 20 10 FGCDRN C[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H](C(F)(F)F)O1 ZINC000862247678 732797197 /nfs/dbraw/zinc/79/71/97/732797197.db2.gz AAQXHQXFANFVJZ-UFBFGSQYSA-N 0 0 354.166 3.306 20 10 FGCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000862353720 732814042 /nfs/dbraw/zinc/81/40/42/732814042.db2.gz YAQRSNYMOQWTJV-LPMFXHHGSA-N 0 0 354.441 3.189 20 10 FGCDRN CCOC(=O)[C@@H](NCc1cccc(C)c1O)[C@@H](O)c1ccc(Cl)cc1 ZINC000862429053 732832907 /nfs/dbraw/zinc/83/29/07/732832907.db2.gz OEDMXVJVTPTBMY-WMZOPIPTSA-N 0 0 363.841 3.109 20 10 FGCDRN Cn1cc(/C=C\C(=O)N2CC3(CC3)c3ccc(Br)cc32)cn1 ZINC000862739564 732870760 /nfs/dbraw/zinc/87/07/60/732870760.db2.gz QLXFVHITIWTXSD-DJWKRKHSSA-N 0 0 358.239 3.274 20 10 FGCDRN COC(=O)[C@H](C)Sc1ccccc1C(=O)NCc1cc(C)ccc1O ZINC000862758834 732872766 /nfs/dbraw/zinc/87/27/66/732872766.db2.gz NHDJOFUHOMOSNR-ZDUSSCGKSA-N 0 0 359.447 3.284 20 10 FGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000863839242 733009896 /nfs/dbraw/zinc/00/98/96/733009896.db2.gz MHJMYQAQQSXUJW-HNNXBMFYSA-N 0 0 357.479 3.039 20 10 FGCDRN Cc1cc(O)c(CNc2ccc(S(=O)(=O)NC3CC3)cc2)c(Cl)c1 ZINC000863986405 733021921 /nfs/dbraw/zinc/02/19/21/733021921.db2.gz NARGGNOCRAYAON-UHFFFAOYSA-N 0 0 366.870 3.407 20 10 FGCDRN COC(C)(C)c1nsc(NCc2c(O)cccc2Br)n1 ZINC000865295743 733175601 /nfs/dbraw/zinc/17/56/01/733175601.db2.gz KXCNITLNGHSUNP-UHFFFAOYSA-N 0 0 358.261 3.500 20 10 FGCDRN c1csc(-c2nccc(NCc3ccc(N4CCSCC4)cc3)n2)n1 ZINC000865451599 733203406 /nfs/dbraw/zinc/20/34/06/733203406.db2.gz SXGLCSMHYGXBJJ-UHFFFAOYSA-N 0 0 369.519 3.187 20 10 FGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)cncc1Br ZINC000865903679 733288591 /nfs/dbraw/zinc/28/85/91/733288591.db2.gz DWALSDARULZQKU-UHFFFAOYSA-N 0 0 366.234 3.288 20 10 FGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000866559348 733365745 /nfs/dbraw/zinc/36/57/45/733365745.db2.gz FWJOFWOGECTXNO-HNNXBMFYSA-N 0 0 360.470 3.338 20 10 FGCDRN CN1CCCc2cc(CNS(=O)(=O)c3ccc(C(F)F)o3)ccc21 ZINC000866673993 733383743 /nfs/dbraw/zinc/38/37/43/733383743.db2.gz ONAZLCQBBRSBDJ-UHFFFAOYSA-N 0 0 356.394 3.078 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)c2cnc(C)s2)cc1 ZINC000868934869 733664629 /nfs/dbraw/zinc/66/46/29/733664629.db2.gz NQYSHDHBFFRZIS-ZDUSSCGKSA-N 0 0 362.499 3.299 20 10 FGCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3scnc3C(F)F)C2)cc1 ZINC000868956802 733667089 /nfs/dbraw/zinc/66/70/89/733667089.db2.gz SMWUNFDCIBBFPB-NSHDSACASA-N 0 0 367.421 3.346 20 10 FGCDRN Nc1ccc(Cl)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000870883794 733899135 /nfs/dbraw/zinc/89/91/35/733899135.db2.gz ISFAXOPBSQDZOY-HNNXBMFYSA-N 0 0 360.841 3.449 20 10 FGCDRN COCC(C)(C)CCNC(=O)NCc1cc(Br)ccc1O ZINC000873117846 735721918 /nfs/dbraw/zinc/72/19/18/735721918.db2.gz PAWZUKHYNHWMMD-UHFFFAOYSA-N 0 0 359.264 3.017 20 10 FGCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3ccc(Cl)cn3)C2)cc1 ZINC000873539121 735775009 /nfs/dbraw/zinc/77/50/09/735775009.db2.gz JPTLZORQSPEATA-CQSZACIVSA-N 0 0 360.841 3.356 20 10 FGCDRN Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000874192801 735848832 /nfs/dbraw/zinc/84/88/32/735848832.db2.gz WHRXGERFTOPJMY-NSHDSACASA-N 0 0 361.467 3.172 20 10 FGCDRN CSCCc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000874191988 735848892 /nfs/dbraw/zinc/84/88/92/735848892.db2.gz DBDLBVQGPIUERZ-ZDUSSCGKSA-N 0 0 358.463 3.114 20 10 FGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3C[C@H](O)C3)cc2Cl)C1 ZINC000875561305 736004592 /nfs/dbraw/zinc/00/45/92/736004592.db2.gz SSIFQQUNTJLKMQ-BPUTZDHNSA-N 0 0 365.905 3.146 20 10 FGCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877167899 736194559 /nfs/dbraw/zinc/19/45/59/736194559.db2.gz MLKVDSBTYSOIBS-NEPJUHHUSA-N 0 0 356.413 3.406 20 10 FGCDRN [O-]c1c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)ccc(F)c1F ZINC000877491887 736671836 /nfs/dbraw/zinc/67/18/36/736671836.db2.gz QJCSUQHXXARLMY-GFCCVEGCSA-N 0 0 363.282 3.392 20 10 FGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000877697641 736708098 /nfs/dbraw/zinc/70/80/98/736708098.db2.gz PWCVLHQEIPKWRC-UHFFFAOYSA-N 0 0 367.877 3.423 20 10 FGCDRN COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000877832206 736733536 /nfs/dbraw/zinc/73/35/36/736733536.db2.gz IAXWOGUNRCUJCR-GTNSWQLSSA-N 0 0 351.830 3.275 20 10 FGCDRN C[C@H](NC(=O)Nc1nn(C)cc1Br)c1ccc(N(C)C)cc1 ZINC000879966480 737091831 /nfs/dbraw/zinc/09/18/31/737091831.db2.gz QJOGRAJGOURCKG-JTQLQIEISA-N 0 0 366.263 3.131 20 10 FGCDRN CC(C)(C)[S@@](=O)CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883007887 737511127 /nfs/dbraw/zinc/51/11/27/737511127.db2.gz KGRWPWALGNXLQL-IBGZPJMESA-N 0 0 368.724 3.445 20 10 FGCDRN CC(C)n1cc(C(C)(C)[NH2+]Cc2cc(Br)cc(F)c2[O-])nn1 ZINC000883147715 737529625 /nfs/dbraw/zinc/52/96/25/737529625.db2.gz FOACIVGNTUPQNW-UHFFFAOYSA-N 0 0 371.254 3.491 20 10 FGCDRN C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cccc(Br)c3[O-])O2)[C@H]1C ZINC000886341040 739247196 /nfs/dbraw/zinc/24/71/96/739247196.db2.gz OOURSKQANPKIKI-NOSGZIGASA-N 0 0 370.287 3.217 20 10 FGCDRN 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CSCC(C)(C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892333477 739988006 /nfs/dbraw/zinc/98/80/06/739988006.db2.gz LEMGJKKELYBMQY-AWEZNQCLSA-N 0 0 351.516 3.025 20 10 FGCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000893908302 742212244 /nfs/dbraw/zinc/21/22/44/742212244.db2.gz VTBZSBSRJTYHOH-BZPMIXESSA-N 0 0 358.916 3.224 20 10 FGCDRN CC(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1O)c1ccnn1C ZINC000894367597 742273927 /nfs/dbraw/zinc/27/39/27/742273927.db2.gz MDVSGRIQCXYTEJ-CYBMUJFWSA-N 0 0 350.850 3.018 20 10 FGCDRN COc1ccc(CN(C)Cc2nc(-c3cccs3)no2)c(O)c1OC ZINC000894388334 742276889 /nfs/dbraw/zinc/27/68/89/742276889.db2.gz BQYYLINQBGDQTL-UHFFFAOYSA-N 0 0 361.423 3.153 20 10 FGCDRN CC(C)n1ncc2c1C[C@H](NC(=O)NCc1cccc(Cl)c1O)CC2 ZINC000894399428 742278118 /nfs/dbraw/zinc/27/81/18/742278118.db2.gz SBXJRZKTKYIGOH-CQSZACIVSA-N 0 0 362.861 3.180 20 10 FGCDRN OC1CCN(c2ccc(CNCc3csc(C(F)(F)F)n3)cc2)CC1 ZINC000895452224 742413978 /nfs/dbraw/zinc/41/39/78/742413978.db2.gz 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CN(C)c1ccc(CN(C)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 ZINC000030874282 493910641 /nfs/dbraw/zinc/91/06/41/493910641.db2.gz MGHYMLSZFWYZGX-UHFFFAOYSA-N 0 0 370.478 3.455 20 10 FGCDRN COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000031726626 493957740 /nfs/dbraw/zinc/95/77/40/493957740.db2.gz KPSVSLRIHVJGSI-UHFFFAOYSA-N 0 0 359.426 3.100 20 10 FGCDRN CNC(=O)C1CCC(NC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000063259044 494037061 /nfs/dbraw/zinc/03/70/61/494037061.db2.gz IEZIPECQPAOVGU-UHFFFAOYSA-N 0 0 359.495 3.190 20 10 FGCDRN Cc1n[nH]c(C)c1NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686787 494054209 /nfs/dbraw/zinc/05/42/09/494054209.db2.gz UIAANJMBFMPLJN-UHFFFAOYSA-N 0 0 355.486 3.087 20 10 FGCDRN COc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000042115049 494202300 /nfs/dbraw/zinc/20/23/00/494202300.db2.gz NTMRFRWHLWUWGX-LJQANCHMSA-N 0 0 370.449 3.292 20 10 FGCDRN CC(=O)c1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054352729 494224074 /nfs/dbraw/zinc/22/40/74/494224074.db2.gz IEXSUYABWZFDSY-UHFFFAOYSA-N 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Cc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(C)n1-c1ccccc1 ZINC000131384080 494601049 /nfs/dbraw/zinc/60/10/49/494601049.db2.gz KBFOYXHRDHVLPG-PXNSSMCTSA-N 0 0 365.477 3.225 20 10 FGCDRN Cc1cc(C)nc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000126121461 494643451 /nfs/dbraw/zinc/64/34/51/494643451.db2.gz OXJNTODEQOSTNF-UHFFFAOYSA-N 0 0 354.454 3.199 20 10 FGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC000047293555 494674985 /nfs/dbraw/zinc/67/49/85/494674985.db2.gz ZSLLFOURAQIJHV-UHFFFAOYSA-N 0 0 362.832 3.370 20 10 FGCDRN Cc1cc(C(=O)NCC2(O)CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000075228357 494711157 /nfs/dbraw/zinc/71/11/57/494711157.db2.gz WQCKANIAKCCSPF-UHFFFAOYSA-N 0 0 362.857 3.019 20 10 FGCDRN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000057468332 494756280 /nfs/dbraw/zinc/75/62/80/494756280.db2.gz HSNAINWHZUMLGQ-KDOFPFPSSA-N 0 0 363.477 3.165 20 10 FGCDRN COc1ccc(N2CCCN(C(=O)c3cn(C)nc3C(C)(C)C)CC2)cc1 ZINC000092239508 494817136 /nfs/dbraw/zinc/81/71/36/494817136.db2.gz 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O=C(NCc1cc(F)c(F)cc1Br)c1cccc(O)c1O ZINC000804689367 724542586 /nfs/dbraw/zinc/54/25/86/724542586.db2.gz CKQWQYINCNGWHN-UHFFFAOYSA-N 0 0 358.138 3.069 20 10 FGCDRN CCOc1ccccc1C(=O)NCc1cc(Br)ccc1O ZINC000804733917 724546152 /nfs/dbraw/zinc/54/61/52/724546152.db2.gz RFWPTJJYZSHXJM-UHFFFAOYSA-N 0 0 350.212 3.483 20 10 FGCDRN Cc1nc2ccccc2n1CC(=O)NCc1cc(Br)ccc1O ZINC000804735485 724547047 /nfs/dbraw/zinc/54/70/47/724547047.db2.gz AWSNXHWDQOXDAL-UHFFFAOYSA-N 0 0 374.238 3.129 20 10 FGCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1Cc2ccc(F)cc21 ZINC000804736690 724547246 /nfs/dbraw/zinc/54/72/46/724547246.db2.gz ZEKJHSDWNUTBGI-AWEZNQCLSA-N 0 0 350.187 3.250 20 10 FGCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1Cc2ccc(F)cc21 ZINC000804736691 724547405 /nfs/dbraw/zinc/54/74/05/724547405.db2.gz ZEKJHSDWNUTBGI-CQSZACIVSA-N 0 0 350.187 3.250 20 10 FGCDRN Cc1cc(C)cc(OCC(=O)NCc2cc(Br)ccc2O)c1 ZINC000804737899 724547850 /nfs/dbraw/zinc/54/78/50/724547850.db2.gz TYIYTAJIOCCXRN-UHFFFAOYSA-N 0 0 364.239 3.467 20 10 FGCDRN O=C(NCc1cc(Br)ccc1O)c1ccc2c(n1)CCCC2 ZINC000804738196 724548121 /nfs/dbraw/zinc/54/81/21/724548121.db2.gz GSQIKCSHKVSWJP-UHFFFAOYSA-N 0 0 361.239 3.359 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](OC(F)F)C2)cc1 ZINC000781365364 724557824 /nfs/dbraw/zinc/55/78/24/724557824.db2.gz GWPQOPKHPDOAKQ-INIZCTEOSA-N 0 0 355.429 3.446 20 10 FGCDRN COC(=O)[C@@H]1CCCCCN1Cc1cc(Br)cc(OC)c1O ZINC000781526431 724572389 /nfs/dbraw/zinc/57/23/89/724572389.db2.gz DGFNCSLQXKNKLG-ZDUSSCGKSA-N 0 0 372.259 3.081 20 10 FGCDRN CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@H](O)C(F)(F)F ZINC000781636801 724581614 /nfs/dbraw/zinc/58/16/14/724581614.db2.gz SCKGLJSFEWJXFP-PWSUYJOCSA-N 0 0 356.182 3.255 20 10 FGCDRN CC[C@@H]1C[C@H](CC(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000781680638 724586054 /nfs/dbraw/zinc/58/60/54/724586054.db2.gz RUJYSTJXXBRPBI-IEBWSBKVSA-N 0 0 362.539 3.451 20 10 FGCDRN C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000783602135 724770837 /nfs/dbraw/zinc/77/08/37/724770837.db2.gz FZCSDILRXITPCG-YUMQZZPRSA-N 0 0 367.081 3.166 20 10 FGCDRN COc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)cc1Cl ZINC000675112181 721729030 /nfs/dbraw/zinc/72/90/30/721729030.db2.gz AOLSBSDELZLPAP-UHFFFAOYSA-N 0 0 356.813 3.421 20 10 FGCDRN COc1ccccc1N(C(C)C)S(=O)(=O)c1cccc2nsnc21 ZINC000685609043 722394113 /nfs/dbraw/zinc/39/41/13/722394113.db2.gz ZDBRMUXHRHUOID-UHFFFAOYSA-N 0 0 363.464 3.304 20 10 FGCDRN CCc1cccc(CN[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1O ZINC000709509131 722413179 /nfs/dbraw/zinc/41/31/79/722413179.db2.gz RYRITLZMMBRAIH-CYBMUJFWSA-N 0 0 362.392 3.500 20 10 FGCDRN CN(CC(F)F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000729052709 722456786 /nfs/dbraw/zinc/45/67/86/722456786.db2.gz UCTQKKYOKABAKX-UHFFFAOYSA-N 0 0 363.355 3.163 20 10 FGCDRN COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000731003588 722472590 /nfs/dbraw/zinc/47/25/90/722472590.db2.gz IZISHJSVQPMQCV-UHFFFAOYSA-N 0 0 360.841 3.115 20 10 FGCDRN CC(C)([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)Nc1ccccc1 ZINC000731041693 722472915 /nfs/dbraw/zinc/47/29/15/722472915.db2.gz PFLDSQXVDNHVNN-UHFFFAOYSA-N 0 0 363.801 3.461 20 10 FGCDRN CC[C@@H]1CO[C@H](C)CN1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731404138 722475108 /nfs/dbraw/zinc/47/51/08/722475108.db2.gz HAYDHENYAKZGBJ-GDBMZVCRSA-N 0 0 351.466 3.381 20 10 FGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3=CC(=O)CS3)cc2F)C[C@H](C)O1 ZINC000731870096 722478767 /nfs/dbraw/zinc/47/87/67/722478767.db2.gz BYWGCPLZTGPARR-TXEJJXNPSA-N 0 0 364.442 3.136 20 10 FGCDRN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)C2=CC(=O)CS2)c1C ZINC000731910196 722479245 /nfs/dbraw/zinc/47/92/45/722479245.db2.gz OEOGDUKWAMMYQE-NSHDSACASA-N 0 0 351.424 3.119 20 10 FGCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000731912252 722479312 /nfs/dbraw/zinc/47/93/12/722479312.db2.gz RXPYZDJILYRZDA-ZETCQYMHSA-N 0 0 370.770 3.199 20 10 FGCDRN O=C(N[C@H]1CCc2nc(-c3ccccc3)ncc2C1)C1=CC(=O)CS1 ZINC000732275009 722483321 /nfs/dbraw/zinc/48/33/21/722483321.db2.gz PZEYZNVRDANEGB-AWEZNQCLSA-N 0 0 351.431 3.198 20 10 FGCDRN O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)C1=CC(=O)CS1 ZINC000732281611 722483395 /nfs/dbraw/zinc/48/33/95/722483395.db2.gz SZAIWFCKZIHJBK-UHFFFAOYSA-N 0 0 353.403 3.031 20 10 FGCDRN CCCCOc1cccc(CNC(=O)COC(=O)C2=CC(=O)CS2)c1 ZINC000732353198 722484248 /nfs/dbraw/zinc/48/42/48/722484248.db2.gz NUKBBZHVBBXKRA-UHFFFAOYSA-N 0 0 363.435 3.106 20 10 FGCDRN COC(=O)CN(Cc1ncc(C(C)C)o1)Cc1cc(Cl)ccc1O ZINC000733310085 722495381 /nfs/dbraw/zinc/49/53/81/722495381.db2.gz JMJGJLYIQUCUDS-UHFFFAOYSA-N 0 0 352.818 3.332 20 10 FGCDRN O=C(NCCCSc1nccs1)c1ccc(NC(=O)C2CC2)cc1 ZINC000733878761 722501800 /nfs/dbraw/zinc/50/18/00/722501800.db2.gz GYUUKXMLSVSMBP-UHFFFAOYSA-N 0 0 361.492 3.404 20 10 FGCDRN CCOC(=O)c1ccc(NC(=S)NCc2cc(OC)ccc2O)cc1 ZINC000733907057 722502195 /nfs/dbraw/zinc/50/21/95/722502195.db2.gz SARSBQKKFDORCA-UHFFFAOYSA-N 0 0 360.435 3.064 20 10 FGCDRN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCCSc1nccs1 ZINC000733971701 722502994 /nfs/dbraw/zinc/50/29/94/722502994.db2.gz BUZJKDAHQKKYDV-ZDUSSCGKSA-N 0 0 373.503 3.257 20 10 FGCDRN COc1ccc(OC)c(CC(=O)NCCCSc2nccs2)c1 ZINC000733973385 722503024 /nfs/dbraw/zinc/50/30/24/722503024.db2.gz HQSXUYJVPWWKBP-UHFFFAOYSA-N 0 0 352.481 3.001 20 10 FGCDRN COc1ccc(O)c(CNC(=O)c2sc(N3CCCC3)nc2Cl)c1 ZINC000734016232 722503451 /nfs/dbraw/zinc/50/34/51/722503451.db2.gz IVTRLSLSGDYSFS-UHFFFAOYSA-N 0 0 367.858 3.041 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)CN(CC)C(=O)OC(C)(C)C ZINC000734547749 722508393 /nfs/dbraw/zinc/50/83/93/722508393.db2.gz NKOCXRKUMTZACF-UHFFFAOYSA-N 0 0 350.459 3.388 20 10 FGCDRN COc1ccc(CNC(=S)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000741873152 722549995 /nfs/dbraw/zinc/54/99/95/722549995.db2.gz CBEATAPNODXOBQ-UHFFFAOYSA-N 0 0 356.491 3.444 20 10 FGCDRN CCO[C@H](C)c1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000742597378 722558370 /nfs/dbraw/zinc/55/83/70/722558370.db2.gz XFNLUCWJPCKGKD-LLVKDONJSA-N 0 0 351.447 3.376 20 10 FGCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1csc(-c2ccccc2)n1 ZINC000747147849 722633845 /nfs/dbraw/zinc/63/38/45/722633845.db2.gz FUPFXOYKKZQQBA-GXDHUFHOSA-N 0 0 357.460 3.113 20 10 FGCDRN Cc1ccc([C@@H](C)[C@H](O)C(=O)NCCCSc2nccs2)cc1 ZINC000748039556 722672666 /nfs/dbraw/zinc/67/26/66/722672666.db2.gz NIAYQLLFQGSLJL-HIFRSBDPSA-N 0 0 350.509 3.215 20 10 FGCDRN Cc1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000748622764 722698914 /nfs/dbraw/zinc/69/89/14/722698914.db2.gz FRLFGNWAPSYBDE-TXEJJXNPSA-N 0 0 363.458 3.134 20 10 FGCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1Br ZINC000748860154 722706897 /nfs/dbraw/zinc/70/68/97/722706897.db2.gz VRCDWQMXGFQUQU-VIFPVBQESA-N 0 0 356.241 3.414 20 10 FGCDRN C[C@H](N1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1)C(F)(F)F ZINC000749959547 722749855 /nfs/dbraw/zinc/74/98/55/722749855.db2.gz QGSPHLIARXNPBN-LBPRGKRZSA-N 0 0 360.420 3.464 20 10 FGCDRN CN(Cc1ccccc1O)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000751236294 722798941 /nfs/dbraw/zinc/79/89/41/722798941.db2.gz SDXPCDFVTLNBLS-UHFFFAOYSA-N 0 0 359.369 3.373 20 10 FGCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000751235338 722798952 /nfs/dbraw/zinc/79/89/52/722798952.db2.gz IUMZIRGCQZQMIP-UHFFFAOYSA-N 0 0 361.463 3.442 20 10 FGCDRN C[C@@H]1Cc2cc(S(=O)(=O)N(C)Cc3ccccc3O)cc(Cl)c2O1 ZINC000751236417 722799046 /nfs/dbraw/zinc/79/90/46/722799046.db2.gz VCVJXPQTRLGVRK-LLVKDONJSA-N 0 0 367.854 3.190 20 10 FGCDRN COc1cccc(CNS(=O)(=O)/C=C\c2ccc(Cl)cc2)c1O ZINC000751305755 722801459 /nfs/dbraw/zinc/80/14/59/722801459.db2.gz OHOODSGJJSDUGV-KTKRTIGZSA-N 0 0 353.827 3.145 20 10 FGCDRN CCCc1noc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000751936583 722836202 /nfs/dbraw/zinc/83/62/02/722836202.db2.gz KHRQCZBSANPZIT-UHFFFAOYSA-N 0 0 358.423 3.009 20 10 FGCDRN COc1c(Br)c([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000751960628 722837876 /nfs/dbraw/zinc/83/78/76/722837876.db2.gz KWYPOKJPSMQUOT-YUMQZZPRSA-N 0 0 374.191 3.366 20 10 FGCDRN Cc1cc(Cl)c(NC(=O)C(=O)NCc2ccccc2O)cc1Cl ZINC000752394129 722856454 /nfs/dbraw/zinc/85/64/54/722856454.db2.gz BSHMNJFFDXMNLN-UHFFFAOYSA-N 0 0 353.205 3.262 20 10 FGCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(SC)cn3)CC2)cc1 ZINC000752822246 722873380 /nfs/dbraw/zinc/87/33/80/722873380.db2.gz KVHQEELNPOIQRT-UHFFFAOYSA-N 0 0 358.467 3.166 20 10 FGCDRN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)C2=CC(=O)CS2)C1 ZINC000753511411 722902471 /nfs/dbraw/zinc/90/24/71/722902471.db2.gz IYFQIRVROTZQSB-QGZVFWFLSA-N 0 0 354.472 3.221 20 10 FGCDRN COc1cc(Cl)c(/C=C2\SC(N3CCOCC3)=NC2=O)cc1Cl ZINC000753896979 722917426 /nfs/dbraw/zinc/91/74/26/722917426.db2.gz HOEREQLCMRVVGV-QPEQYQDCSA-N 0 0 373.261 3.305 20 10 FGCDRN COc1ccc(N2CCN(C(=S)NCc3ccccc3)CC2)cc1F ZINC000753962609 722920360 /nfs/dbraw/zinc/92/03/60/722920360.db2.gz ONZXJCOWWTVIJS-UHFFFAOYSA-N 0 0 359.470 3.031 20 10 FGCDRN O=C([O-])[C@H](CSCCc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756381619 722963688 /nfs/dbraw/zinc/96/36/88/722963688.db2.gz IDZYQXZXQAYGAL-SFHVURJKSA-N 0 0 357.475 3.140 20 10 FGCDRN C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756397557 722963943 /nfs/dbraw/zinc/96/39/43/722963943.db2.gz UTHSQSMFFGWTGO-PRHODGIISA-N 0 0 361.667 3.127 20 10 FGCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCc2sccc2C1 ZINC000756471700 722965177 /nfs/dbraw/zinc/96/51/77/722965177.db2.gz WOAJBIDPWDWFMS-OLZOCXBDSA-N 0 0 361.467 3.459 20 10 FGCDRN C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000756479337 722965352 /nfs/dbraw/zinc/96/53/52/722965352.db2.gz MHZQJZLOWAWSKN-SNVBAGLBSA-N 0 0 354.784 3.404 20 10 FGCDRN C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc(F)cc(F)c1[O-] ZINC000756536692 722966371 /nfs/dbraw/zinc/96/63/71/722966371.db2.gz SUJRBEVYQOKXMM-GFCCVEGCSA-N 0 0 350.413 3.272 20 10 FGCDRN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756594640 722967356 /nfs/dbraw/zinc/96/73/56/722967356.db2.gz SNWLUVFOQDNSAR-OTPXZMOZSA-N 0 0 352.269 3.057 20 10 FGCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Br)cc(F)c1[O-] ZINC000756659340 722968336 /nfs/dbraw/zinc/96/83/36/722968336.db2.gz DKGYZWDFZKUZCP-MNOVXSKESA-N 0 0 372.234 3.389 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000756779246 722969967 /nfs/dbraw/zinc/96/99/67/722969967.db2.gz RUSXQMBGTPWAEE-BMLIUANNSA-N 0 0 367.804 3.356 20 10 FGCDRN C[C@@H]([NH2+]CCCn1cncn1)c1cc(Br)cc(Cl)c1[O-] ZINC000756830466 722970528 /nfs/dbraw/zinc/97/05/28/722970528.db2.gz QNZZPAZCNBFNRN-SECBINFHSA-N 0 0 359.655 3.141 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)c1 ZINC000757637283 722977723 /nfs/dbraw/zinc/97/77/23/722977723.db2.gz HEYCKQUOQYORSU-SNVBAGLBSA-N 0 0 353.340 3.489 20 10 FGCDRN C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000757656605 722977961 /nfs/dbraw/zinc/97/79/61/722977961.db2.gz KYRDFTXFXQFCIM-FWMBLBRJSA-N 0 0 354.697 3.226 20 10 FGCDRN Oc1ccccc1CN(Cc1ccco1)C(=S)NC[C@H]1CCCCO1 ZINC000758175024 722985555 /nfs/dbraw/zinc/98/55/55/722985555.db2.gz JWSVDDYAQDQMLK-MRXNPFEDSA-N 0 0 360.479 3.431 20 10 FGCDRN COC(=O)[C@H](OC(=O)c1cccc(O)c1O)c1ccc(Cl)c(Cl)c1 ZINC000758547435 722991591 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ZINC000834475912 729806804 /nfs/dbraw/zinc/80/68/04/729806804.db2.gz HWCYWSFZNJHHAZ-INIZCTEOSA-N 0 0 356.260 3.102 20 10 FGCDRN CC[C@@H](C)[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)OC ZINC000836242765 729949300 /nfs/dbraw/zinc/94/93/00/729949300.db2.gz POTRZIBXTRPUEC-CRAIPNDOSA-N 0 0 365.543 3.100 20 10 FGCDRN CC(C)[C@]1(C)C[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837710650 730056436 /nfs/dbraw/zinc/05/64/36/730056436.db2.gz VDTGYBPGXFPAET-LIRRHRJNSA-N 0 0 352.425 3.100 20 10 FGCDRN C[C@]1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC=CCC1 ZINC000837715223 730057282 /nfs/dbraw/zinc/05/72/82/730057282.db2.gz RZCWUWUIWFNGID-IBGZPJMESA-N 0 0 350.409 3.164 20 10 FGCDRN O=C(N[C@@H]1CCCC[C@H]1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000840440259 730145905 /nfs/dbraw/zinc/14/59/05/730145905.db2.gz WNNHNMBZJJMIJM-GVDBMIGSSA-N 0 0 350.434 3.364 20 10 FGCDRN COCC1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000840442514 730146253 /nfs/dbraw/zinc/14/62/53/730146253.db2.gz FRSYPEBNAUHYNM-UHFFFAOYSA-N 0 0 371.275 3.159 20 10 FGCDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)NCCO)c(Cl)c1 ZINC000840884774 730188182 /nfs/dbraw/zinc/18/81/82/730188182.db2.gz PUGHHBNUTDWXRF-UHFFFAOYSA-N 0 0 361.873 3.049 20 10 FGCDRN CC[C@@H]([NH2+]CCCS(=O)(=O)CC)c1cc(Br)ccc1O ZINC000840888431 730188340 /nfs/dbraw/zinc/18/83/40/730188340.db2.gz JTVBLRLJQMBOPZ-CYBMUJFWSA-N 0 0 364.305 3.020 20 10 FGCDRN [NH3+][C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@H]1c1ccccc1F ZINC000841102969 730211814 /nfs/dbraw/zinc/21/18/14/730211814.db2.gz AVRQCRHLLISLJY-XJKSGUPXSA-N 0 0 365.246 3.221 20 10 FGCDRN O=C(C1SCCCS1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841407670 730240016 /nfs/dbraw/zinc/24/00/16/730240016.db2.gz FBCPQKWNGIGVNK-CQSZACIVSA-N 0 0 353.509 3.096 20 10 FGCDRN C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(Br)cc(F)c1[O-] ZINC000841765373 730272178 /nfs/dbraw/zinc/27/21/78/730272178.db2.gz RCFLVJPKZNKOMY-PSASIEDQSA-N 0 0 367.209 3.284 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)c2coc(Br)c2)cc1 ZINC000844852185 730780230 /nfs/dbraw/zinc/78/02/30/730780230.db2.gz FBNPRHNKRYMQPL-UHFFFAOYSA-N 0 0 367.243 3.259 20 10 FGCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000845262827 730824676 /nfs/dbraw/zinc/82/46/76/730824676.db2.gz XHSUOQPRXOZNPS-HNNXBMFYSA-N 0 0 363.820 3.263 20 10 FGCDRN CN(C)c1ccc(CN2CC(C)(C)O[C@@H]3COC[C@H]32)c(C(F)(F)F)c1 ZINC000846117394 730930390 /nfs/dbraw/zinc/93/03/90/730930390.db2.gz CUCILMQAQBWHEM-HZPDHXFCSA-N 0 0 358.404 3.150 20 10 FGCDRN COc1cccc([C@@H](C)N[C@H](C)c2ncc(Br)cn2)c1O ZINC000846172168 730933534 /nfs/dbraw/zinc/93/35/34/730933534.db2.gz XBQOOROXVQYINT-NXEZZACHSA-N 0 0 352.232 3.365 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccnc(Cl)c2F)cc1 ZINC000846442583 730956134 /nfs/dbraw/zinc/95/61/34/730956134.db2.gz UAGIPJFCYRVTEX-UHFFFAOYSA-N 0 0 351.809 3.091 20 10 FGCDRN C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)NC(=O)C1CCCCC1 ZINC000846471813 730958320 /nfs/dbraw/zinc/95/83/20/730958320.db2.gz BBHSCHSIJCBPRY-LBPRGKRZSA-N 0 0 352.862 3.137 20 10 FGCDRN O=C(NCc1cc(Cl)ccc1O)c1[nH]nc(C2CC2)c1Br ZINC000846474111 730958528 /nfs/dbraw/zinc/95/85/28/730958528.db2.gz ZGOOKOMSVCPJGN-UHFFFAOYSA-N 0 0 370.634 3.339 20 10 FGCDRN Cc1cc(C(=O)CN(C[C@@H](C)O)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000847107878 731022265 /nfs/dbraw/zinc/02/22/65/731022265.db2.gz WLFHWEDTOHLIAO-CYBMUJFWSA-N 0 0 361.873 3.170 20 10 FGCDRN O=C(NCCCSc1nccs1)N1CCC[C@H](OC2CCC2)C1 ZINC000847337131 731047608 /nfs/dbraw/zinc/04/76/08/731047608.db2.gz WFPWOMKFUIKIGG-AWEZNQCLSA-N 0 0 355.529 3.368 20 10 FGCDRN O=C(NCCCSc1nccs1)[C@@H]1CCO[C@H](c2ccccc2)O1 ZINC000847487890 731058389 /nfs/dbraw/zinc/05/83/89/731058389.db2.gz MXLBDUZMPWQRRV-HOCLYGCPSA-N 0 0 364.492 3.246 20 10 FGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000847695880 731080493 /nfs/dbraw/zinc/08/04/93/731080493.db2.gz IJPBVPKJRNFRME-VOJFVSQTSA-N 0 0 361.825 3.460 20 10 FGCDRN Cc1cc(Br)cc([C@@H](C)NCc2nnn(C(C)(C)C)n2)c1O ZINC000848561014 731181872 /nfs/dbraw/zinc/18/18/72/731181872.db2.gz NUENEPDYAOIMDH-SNVBAGLBSA-N 0 0 368.279 3.055 20 10 FGCDRN CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NCc1cc(Cl)ccc1O ZINC000848576038 731184531 /nfs/dbraw/zinc/18/45/31/731184531.db2.gz GBETVGZOUWFIHF-MRXNPFEDSA-N 0 0 362.857 3.483 20 10 FGCDRN CNC(=O)[C@H]1CCCc2sc(/C=C/c3ccc4c(c3)CCN4C)nc21 ZINC000848642024 731190502 /nfs/dbraw/zinc/19/05/02/731190502.db2.gz QULZIQYIGLVFMY-HEWZJLJBSA-N 0 0 353.491 3.472 20 10 FGCDRN C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000850411827 731353733 /nfs/dbraw/zinc/35/37/33/731353733.db2.gz LOEYUBIBBHGUNR-MLGOLLRUSA-N 0 0 350.256 3.409 20 10 FGCDRN C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850497331 731364392 /nfs/dbraw/zinc/36/43/92/731364392.db2.gz UHFGGTMLCMNSPS-FHOATMSYSA-N 0 0 363.323 3.373 20 10 FGCDRN CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000850518333 731367709 /nfs/dbraw/zinc/36/77/09/731367709.db2.gz OQUZQNZIWQNDEO-NSHDSACASA-N 0 0 359.797 3.063 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3cccs3)C2)cc1 ZINC000851954635 731523967 /nfs/dbraw/zinc/52/39/67/731523967.db2.gz NLMBUBBJXQBHIO-CABCVRRESA-N 0 0 359.495 3.266 20 10 FGCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)c3cscn3)C2)cc1 ZINC000852387073 731578934 /nfs/dbraw/zinc/57/89/34/731578934.db2.gz OKTGXSQLJXQZNU-UONOGXRCSA-N 0 0 360.483 3.038 20 10 FGCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000852562928 731601442 /nfs/dbraw/zinc/60/14/42/731601442.db2.gz MQWZLQAYTUQFBI-RDJZCZTQSA-N 0 0 360.841 3.418 20 10 FGCDRN Cc1cccc(NC(=S)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853040727 731654024 /nfs/dbraw/zinc/65/40/24/731654024.db2.gz FVHMGXWTAJJEDK-UHFFFAOYSA-N 0 0 355.507 3.443 20 10 FGCDRN CC[C@H](C)N(CC)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000854140439 731797510 /nfs/dbraw/zinc/79/75/10/731797510.db2.gz IODZFUPRKUYYBE-ZDUSSCGKSA-N 0 0 355.429 3.131 20 10 FGCDRN CC[C@](NC(=O)C1=CC(=O)CS1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000854430383 731828310 /nfs/dbraw/zinc/82/83/10/731828310.db2.gz HSGAFABHLPDMKV-MRXNPFEDSA-N 0 0 353.827 3.315 20 10 FGCDRN Cc1cc(CC(=O)Nc2nc(CCO)cs2)c(C)n1-c1ccccc1 ZINC000854584406 731843138 /nfs/dbraw/zinc/84/31/38/731843138.db2.gz WMXLWHYAGJFELZ-UHFFFAOYSA-N 0 0 355.463 3.267 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)c3sccc3OC(F)F)C2)cc1 ZINC000855231950 731909401 /nfs/dbraw/zinc/90/94/01/731909401.db2.gz ZEIMTVKKDUDUPU-NSHDSACASA-N 0 0 368.405 3.367 20 10 FGCDRN COc1ccc(N2CC[C@@H](NC(=O)/C=C\c3ccc(Cl)nc3)C2)cc1 ZINC000855233912 731909643 /nfs/dbraw/zinc/90/96/43/731909643.db2.gz PCUIIRGBYIKOSC-ACRUDFBXSA-N 0 0 357.841 3.152 20 10 FGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[S@](=O)CC(F)(F)F)cc1 ZINC000855279089 731914430 /nfs/dbraw/zinc/91/44/30/731914430.db2.gz DTKBWHNMGROBRV-VWLOTQADSA-N 0 0 372.412 3.135 20 10 FGCDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000855965403 731972543 /nfs/dbraw/zinc/97/25/43/731972543.db2.gz UVRIXFRWZICYDG-NEPJUHHUSA-N 0 0 354.472 3.219 20 10 FGCDRN CCCCSCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211375 731995775 /nfs/dbraw/zinc/99/57/75/731995775.db2.gz NVBPTDRKIRYABT-UHFFFAOYSA-N 0 0 350.528 3.187 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3CC3(Cl)Cl)C2)cc1 ZINC000856871828 732073066 /nfs/dbraw/zinc/07/30/66/732073066.db2.gz WEHZFFWHZNGYIH-STQMWFEESA-N 0 0 372.296 3.157 20 10 FGCDRN O=C(NCC[C@H]1CC1(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000856933015 732080579 /nfs/dbraw/zinc/08/05/79/732080579.db2.gz APPCMFBDYUPTNX-LSDHHAIUSA-N 0 0 354.397 3.128 20 10 FGCDRN CN(C)c1ccc(/C=C/CN[C@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000857057939 732098248 /nfs/dbraw/zinc/09/82/48/732098248.db2.gz HFJXNMRBYMWKPY-XJDXJNMNSA-N 0 0 356.491 3.025 20 10 FGCDRN CNc1ccc(Cl)c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000857302273 732118738 /nfs/dbraw/zinc/11/87/38/732118738.db2.gz LJLHOUZGORIPSZ-CQSZACIVSA-N 0 0 359.857 3.399 20 10 FGCDRN C[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2ccc(Br)cc2O1 ZINC000857679970 732153729 /nfs/dbraw/zinc/15/37/29/732153729.db2.gz HNUVLMMMVPWOED-ZXCPCRMDSA-N 0 0 362.227 3.010 20 10 FGCDRN COc1cccc([C@@H](CNC(=O)NCc2cc(Cl)ccc2O)OC)c1 ZINC000858653714 732234940 /nfs/dbraw/zinc/23/49/40/732234940.db2.gz FQTFQZFQKKRYCJ-QGZVFWFLSA-N 0 0 364.829 3.241 20 10 FGCDRN O=C(NCc1ccccc1O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000858914242 732258578 /nfs/dbraw/zinc/25/85/78/732258578.db2.gz SESKSXXBOWEDRF-CQSZACIVSA-N 0 0 363.820 3.263 20 10 FGCDRN CCO[C@H](CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000858914017 732258585 /nfs/dbraw/zinc/25/85/85/732258585.db2.gz OPVNUZAVGJCNKM-LJQANCHMSA-N 0 0 368.543 3.108 20 10 FGCDRN Cc1ccc(S(=O)(=O)NCCCSc2nccs2)c(F)c1F ZINC000858981230 732265757 /nfs/dbraw/zinc/26/57/57/732265757.db2.gz XAMZERPXGGTARB-UHFFFAOYSA-N 0 0 364.464 3.190 20 10 FGCDRN C[C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F ZINC000859460622 732332282 /nfs/dbraw/zinc/33/22/82/732332282.db2.gz WREQKNVTSURPPY-ZDUSSCGKSA-N 0 0 358.404 3.100 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(N=S(C)(C)=O)c2)c1 ZINC000860242699 732480113 /nfs/dbraw/zinc/48/01/13/732480113.db2.gz TWEZZSKHPVPHKY-GFCCVEGCSA-N 0 0 362.451 3.251 20 10 FGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H](C)c1ccco1 ZINC000860604384 732541559 /nfs/dbraw/zinc/54/15/59/732541559.db2.gz RBOFSKXVKLIGIB-LBPRGKRZSA-N 0 0 365.813 3.334 20 10 FGCDRN CCC(CC)C(=O)N1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862220222 732788321 /nfs/dbraw/zinc/78/83/21/732788321.db2.gz SLJYHJMYRHPFKH-UHFFFAOYSA-N 0 0 369.303 3.235 20 10 FGCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000862478226 732839330 /nfs/dbraw/zinc/83/93/30/732839330.db2.gz TUMPAQGEAHRHIY-UHFFFAOYSA-N 0 0 367.795 3.231 20 10 FGCDRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000862675920 732862451 /nfs/dbraw/zinc/86/24/51/732862451.db2.gz CYGPJTIDKOULNX-CYBMUJFWSA-N 0 0 352.456 3.116 20 10 FGCDRN Cc1ccc(O)c(CNC(=O)[C@H](c2ccccc2)N2CCSCC2)c1 ZINC000862758836 732872787 /nfs/dbraw/zinc/87/27/87/732872787.db2.gz NJMISDQIMDAOKY-IBGZPJMESA-N 0 0 356.491 3.107 20 10 FGCDRN CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)C3=CC(=O)CS3)C[C@@]2(C)C1 ZINC000863510009 732972804 /nfs/dbraw/zinc/97/28/04/732972804.db2.gz 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O=C(NCCCF)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000378166777 499761708 /nfs/dbraw/zinc/76/17/08/499761708.db2.gz DRMFPKVZMQYHLL-LBPRGKRZSA-N 0 0 363.355 3.070 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Cn2cccn2)cc1 ZINC000437009612 500593000 /nfs/dbraw/zinc/59/30/00/500593000.db2.gz JXNPRADNJOKTMD-UHFFFAOYSA-N 0 0 362.433 3.037 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2c(cc1O)CCCC2 ZINC000436577279 501161138 /nfs/dbraw/zinc/16/11/38/501161138.db2.gz SUQHCUMWOGFUHV-UHFFFAOYSA-N 0 0 352.434 3.376 20 10 FGCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCOCC(F)(F)C3)ccc21 ZINC000582510498 506263519 /nfs/dbraw/zinc/26/35/19/506263519.db2.gz WWBQNORFRVDXKZ-UHFFFAOYSA-N 0 0 366.408 3.012 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(OCC(F)F)ccn1 ZINC000471220107 501958677 /nfs/dbraw/zinc/95/86/77/501958677.db2.gz LQVXLHWFIMBPHN-UHFFFAOYSA-N 0 0 359.376 3.456 20 10 FGCDRN C[C@@H]1[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CCN1c1ccccc1 ZINC000475935718 502337817 /nfs/dbraw/zinc/33/78/17/502337817.db2.gz XKFBRQZOTOWHMT-APWZRJJASA-N 0 0 365.477 3.393 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Cl)cc2c1OCC2 ZINC000462643973 502519040 /nfs/dbraw/zinc/51/90/40/502519040.db2.gz XCMGXWMIAHWUFY-UHFFFAOYSA-N 0 0 358.825 3.380 20 10 FGCDRN CCC(=O)N[C@H](C(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000473274746 502556570 /nfs/dbraw/zinc/55/65/70/502556570.db2.gz FNJQJECEPMOSCL-NRFANRHFSA-N 0 0 363.461 3.370 20 10 FGCDRN COCCn1c(C)c(C)c2cc(C(=O)N=c3cc([C@@H]4C[C@H]4C)[nH][nH]3)ccc21 ZINC000489928603 503068979 /nfs/dbraw/zinc/06/89/79/503068979.db2.gz HLONIBWWZSAGSR-MLGOLLRUSA-N 0 0 366.465 3.425 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC000527164992 503703284 /nfs/dbraw/zinc/70/32/84/503703284.db2.gz SMQHODJNJUBUGR-PZJWPPBQSA-N 0 0 355.482 3.491 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC(=O)N(C)C1CCCCC1 ZINC000527449452 503792490 /nfs/dbraw/zinc/79/24/90/503792490.db2.gz AQCNBJQCSXLHIT-UHFFFAOYSA-N 0 0 370.497 3.077 20 10 FGCDRN O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ccnc(C3CC3)n2)CC1 ZINC000530535702 504001243 /nfs/dbraw/zinc/00/12/43/504001243.db2.gz UQMNATXQNGTDSS-UHFFFAOYSA-N 0 0 374.444 3.177 20 10 FGCDRN Cn1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc21 ZINC000528881560 504430725 /nfs/dbraw/zinc/43/07/25/504430725.db2.gz IGTQTZLFCBPIBH-MRXNPFEDSA-N 0 0 365.433 3.100 20 10 FGCDRN C[C@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1cccc2nsnc21 ZINC000532869413 504769496 /nfs/dbraw/zinc/76/94/96/504769496.db2.gz GPENUBRRGLOJKH-LBPRGKRZSA-N 0 0 374.491 3.115 20 10 FGCDRN CCCC[C@H](CC)CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000559313435 504829872 /nfs/dbraw/zinc/82/98/72/504829872.db2.gz JSXNIQGFJKNEJG-INIZCTEOSA-N 0 0 357.498 3.436 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000557700640 505206970 /nfs/dbraw/zinc/20/69/70/505206970.db2.gz KOFPTQGDXFKGLD-AEFFLSMTSA-N 0 0 369.509 3.434 20 10 FGCDRN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235209 598243146 /nfs/dbraw/zinc/24/31/46/598243146.db2.gz RBUHPSIPVQNDPE-SGTLLEGYSA-N 0 0 364.453 3.193 20 10 FGCDRN Fc1ccc(NCc2ccc(N3CCSCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000737657796 598635448 /nfs/dbraw/zinc/63/54/48/598635448.db2.gz ZRNQSNVYBGJAFC-UHFFFAOYSA-N 0 0 370.457 3.171 20 10 FGCDRN O=C([O-])/C=C\c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000739623945 599764376 /nfs/dbraw/zinc/76/43/76/599764376.db2.gz HNQDPNOCSGEWBO-DZFYGRHCSA-N 0 0 359.426 3.147 20 10 FGCDRN O=C([O-])/C=C/c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000739623950 599764513 /nfs/dbraw/zinc/76/45/13/599764513.db2.gz HNQDPNOCSGEWBO-MNDMWVCDSA-N 0 0 359.426 3.147 20 10 FGCDRN CN1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737519207 600461350 /nfs/dbraw/zinc/46/13/50/600461350.db2.gz HYZVVYKHAIWEID-RBUKOAKNSA-N 0 0 354.450 3.302 20 10 FGCDRN COc1ccc(N(Cc2ccnc(-c3nn[nH]n3)c2)[C@H](C)C2CC2)cc1 ZINC000826209339 607520149 /nfs/dbraw/zinc/52/01/49/607520149.db2.gz XSUGAGLADVTRLE-CYBMUJFWSA-N 0 0 350.426 3.075 20 10 FGCDRN COC(=O)CCC1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000831151999 601797835 /nfs/dbraw/zinc/79/78/35/601797835.db2.gz JZHBKADRUCPCQF-UHFFFAOYSA-N 0 0 371.433 3.409 20 10 FGCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1O ZINC000833308341 602204335 /nfs/dbraw/zinc/20/43/35/602204335.db2.gz RHYBYVVFXATBPV-VFNWGFHPSA-N 0 0 355.434 3.371 20 10 FGCDRN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000833812805 605597592 /nfs/dbraw/zinc/59/75/92/605597592.db2.gz LROOWVJKENNVQW-QWRGUYRKSA-N 0 0 357.248 3.023 20 10 FGCDRN O=C([O-])N[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000834159372 605795469 /nfs/dbraw/zinc/79/54/69/605795469.db2.gz SRTOVGDKOFUNNB-UXHICEINSA-N 0 0 367.449 3.067 20 10 FGCDRN Fc1cc(-c2nn[nH]n2)ccc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826372173 608296183 /nfs/dbraw/zinc/29/61/83/608296183.db2.gz KRUIGKIFMNVXPJ-UHFFFAOYSA-N 0 0 356.792 3.348 20 10 FGCDRN Fc1cccc(N2CC=C(c3ccc(Cl)nc3)CC2)c1-c1nn[nH]n1 ZINC000826377248 608296601 /nfs/dbraw/zinc/29/66/01/608296601.db2.gz KQUXNRVEPNOIDN-UHFFFAOYSA-N 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700431240 /nfs/dbraw/zinc/43/12/40/700431240.db2.gz HAPBBFPQEYGCNE-WBMJQRKESA-N 0 0 365.861 3.403 20 10 FGCDRN [O-]c1c(Br)cccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092662033 700439390 /nfs/dbraw/zinc/43/93/90/700439390.db2.gz SXHSQFWQLOTWOL-HNNXBMFYSA-N 0 0 370.287 3.315 20 10 FGCDRN CCc1nc(CC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000102382315 700475234 /nfs/dbraw/zinc/47/52/34/700475234.db2.gz JAHFVBRQESRYND-UHFFFAOYSA-N 0 0 359.495 3.042 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(C)nn(C(F)F)c2C)c1 ZINC000103529145 700487200 /nfs/dbraw/zinc/48/72/00/700487200.db2.gz KHKDIMBORKJLDQ-SECBINFHSA-N 0 0 353.369 3.029 20 10 FGCDRN CC(=O)c1csc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000106634518 700509225 /nfs/dbraw/zinc/50/92/25/700509225.db2.gz DAUHAQJHDMMIAS-ZDUSSCGKSA-N 0 0 358.463 3.278 20 10 FGCDRN COc1ccc(N2CCN(C(=O)c3cnc(C(C)(C)C)s3)CC2)cc1 ZINC000108987250 700528816 /nfs/dbraw/zinc/52/88/16/700528816.db2.gz YEPWNDCOOCOFBN-UHFFFAOYSA-N 0 0 359.495 3.412 20 10 FGCDRN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2cc(Cl)cc(Cl)c2)c1 ZINC000113096632 700567418 /nfs/dbraw/zinc/56/74/18/700567418.db2.gz IOYVVWUPNNKWKY-ONEGZZNKSA-N 0 0 364.232 3.424 20 10 FGCDRN COc1ccc(O)c(CNC(=O)c2ccc(Br)c(F)c2)c1 ZINC000114541473 700579034 /nfs/dbraw/zinc/57/90/34/700579034.db2.gz GMQOADYNNGLYKE-UHFFFAOYSA-N 0 0 354.175 3.232 20 10 FGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000115894595 700588453 /nfs/dbraw/zinc/58/84/53/700588453.db2.gz DYECCUDKZKJHLR-UHFFFAOYSA-N 0 0 363.820 3.108 20 10 FGCDRN CSC[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000118994347 700617512 /nfs/dbraw/zinc/61/75/12/700617512.db2.gz OQDBTSSCRBPLDV-QAPCUYQASA-N 0 0 363.527 3.121 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)NCCOc1ccc(Cl)cn1 ZINC000119744118 700637636 /nfs/dbraw/zinc/63/76/36/700637636.db2.gz DBLCNKRDGLAAAT-UHFFFAOYSA-N 0 0 363.845 3.441 20 10 FGCDRN CC(C)c1ncc(Cl)c(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000121746640 700679350 /nfs/dbraw/zinc/67/93/50/700679350.db2.gz MVEJCBMNTZRZPZ-UHFFFAOYSA-N 0 0 350.825 3.389 20 10 FGCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccsc3)C2)cc1F ZINC000122389801 700689002 /nfs/dbraw/zinc/68/90/02/700689002.db2.gz WMSKSWWRTADHLP-KRWDZBQOSA-N 0 0 363.458 3.236 20 10 FGCDRN CN(Cc1ccccc1O)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000126712063 700752089 /nfs/dbraw/zinc/75/20/89/700752089.db2.gz CQUBOAYIIFOINL-UHFFFAOYSA-N 0 0 365.183 3.335 20 10 FGCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(Br)c(C)n2)c1 ZINC000128833964 700779943 /nfs/dbraw/zinc/77/99/43/700779943.db2.gz ACLGXJMMWILCCC-UHFFFAOYSA-N 0 0 366.215 3.188 20 10 FGCDRN CN1CCc2cc(/C=C3/SC(=S)N(c4cccnc4)C3=O)ccc21 ZINC000129723146 700791227 /nfs/dbraw/zinc/79/12/27/700791227.db2.gz WQHWIZZYHROQSU-MHWRWJLKSA-N 0 0 353.472 3.480 20 10 FGCDRN COc1cc(N(C)Cc2csc(N(C)C3CC3)n2)cc(OC)c1OC ZINC000133551572 700839408 /nfs/dbraw/zinc/83/94/08/700839408.db2.gz IGTUPCFPTMICAC-UHFFFAOYSA-N 0 0 363.483 3.404 20 10 FGCDRN C[C@@H](C(=O)NCCCSc1nccs1)N1CCc2ccccc2C1 ZINC000134926263 704834082 /nfs/dbraw/zinc/83/40/82/704834082.db2.gz 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O=C(NCc1ccc(N2CCCC2)cc1)[C@H](O)c1ccc(Cl)cc1F ZINC000813410513 726871487 /nfs/dbraw/zinc/87/14/87/726871487.db2.gz SWAYZZRQMGALIR-GOSISDBHSA-N 0 0 362.832 3.429 20 10 FGCDRN C[C@H](NC(=O)C1CCCCC1)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683837 726904934 /nfs/dbraw/zinc/90/49/34/726904934.db2.gz DWLZFMREPSXGJM-JTQLQIEISA-N 0 0 373.280 3.400 20 10 FGCDRN Oc1ccc(Br)cc1CNc1ncnc2c1ncn2C1CC1 ZINC000814260168 726950932 /nfs/dbraw/zinc/95/09/32/726950932.db2.gz IGBUPJXYBWKKCS-UHFFFAOYSA-N 0 0 360.215 3.241 20 10 FGCDRN CN(C)c1ccc(CNC(=O)Cc2cscc2Br)cc1 ZINC000814377121 726959824 /nfs/dbraw/zinc/95/98/24/726959824.db2.gz MHOSBIYQYMDKQD-UHFFFAOYSA-N 0 0 353.285 3.436 20 10 FGCDRN Cc1cc(Br)c(O)c(CNCc2ncn(-c3ccccc3)n2)c1 ZINC000815162273 727047095 /nfs/dbraw/zinc/04/70/95/727047095.db2.gz HXFVPIOWXZHIKD-UHFFFAOYSA-N 0 0 373.254 3.334 20 10 FGCDRN Cc1cc(Cl)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC000815406185 727070985 /nfs/dbraw/zinc/07/09/85/727070985.db2.gz XMDKNEDFVGBVAK-UHFFFAOYSA-N 0 0 365.725 3.008 20 10 FGCDRN C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557861 727084039 /nfs/dbraw/zinc/08/40/39/727084039.db2.gz HTIQDOATAJGDRO-LLVKDONJSA-N 0 0 356.388 3.463 20 10 FGCDRN C[C@H](Nc1ccc(OCC(N)=O)cc1)c1cccc(C(F)(F)F)c1O ZINC000815602231 727086035 /nfs/dbraw/zinc/08/60/35/727086035.db2.gz SNWROOLZDNIKIU-JTQLQIEISA-N 0 0 354.328 3.448 20 10 FGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc(C(F)(F)F)c1[O-] ZINC000815615684 727086535 /nfs/dbraw/zinc/08/65/35/727086535.db2.gz VBFZHIGWLBEKTO-MNOVXSKESA-N 0 0 351.390 3.029 20 10 FGCDRN COc1cccc(CNC(=O)Cc2cscc2Br)c1O ZINC000815834250 727100739 /nfs/dbraw/zinc/10/07/39/727100739.db2.gz AKUGPQPOUNOIFK-UHFFFAOYSA-N 0 0 356.241 3.084 20 10 FGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC1CC(C)(C)C1 ZINC000815952823 727110335 /nfs/dbraw/zinc/11/03/35/727110335.db2.gz WFEUJHUPYOOQMF-UHFFFAOYSA-N 0 0 353.846 3.374 20 10 FGCDRN O=C(Cc1ccncc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000816921990 727205924 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350.415 3.090 20 10 FGCDRN COc1cccc([C@@H](OC)C(=O)NCCCSc2nccs2)c1 ZINC000827475094 729430736 /nfs/dbraw/zinc/43/07/36/729430736.db2.gz RIINAVXPNCKZQZ-CQSZACIVSA-N 0 0 352.481 3.138 20 10 FGCDRN C[C@@H](NC(=O)CN[C@H](c1ccccc1)C(F)(F)F)c1ccccc1O ZINC000827937601 729437427 /nfs/dbraw/zinc/43/74/27/729437427.db2.gz ZREIRBYMMWYTPB-SJKOYZFVSA-N 0 0 352.356 3.463 20 10 FGCDRN C[C@H]1C[C@@H](S(=O)(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)CCO1 ZINC000828227902 729441426 /nfs/dbraw/zinc/44/14/26/729441426.db2.gz YJXWKEALHQTKBT-ZFWWWQNUSA-N 0 0 363.479 3.333 20 10 FGCDRN Cc1ccc(CN(C[C@@H]2COCCO2)c2ccc3c(c2)OCCO3)s1 ZINC000828274360 729441838 /nfs/dbraw/zinc/44/18/38/729441838.db2.gz XBYLJCVZWRRQNV-MRXNPFEDSA-N 0 0 361.463 3.250 20 10 FGCDRN CC[C@H]1CN(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@H]1O ZINC000828554711 729445064 /nfs/dbraw/zinc/44/50/64/729445064.db2.gz HJEAMZJNHIPANW-WMLDXEAASA-N 0 0 361.873 3.028 20 10 FGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccsc1Cl ZINC000829262236 729470624 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C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Br)c(F)cc1[O-] ZINC000756659319 722968383 /nfs/dbraw/zinc/96/83/83/722968383.db2.gz DFDLIEHQDRRCGP-MNOVXSKESA-N 0 0 372.234 3.389 20 10 FGCDRN C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756743947 722969460 /nfs/dbraw/zinc/96/94/60/722969460.db2.gz XVXPMVNACLXEPX-MGOSUKFUSA-N 0 0 352.269 3.102 20 10 FGCDRN C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Br)c(F)cc1[O-] ZINC000756762461 722969712 /nfs/dbraw/zinc/96/97/12/722969712.db2.gz WYZGVAUDSSRBTF-SCZZXKLOSA-N 0 0 354.223 3.225 20 10 FGCDRN C[C@H](CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])[S@](C)=O ZINC000756762648 722969753 /nfs/dbraw/zinc/96/97/53/722969753.db2.gz QBHYYQIESWCEPZ-MGOSUKFUSA-N 0 0 352.269 3.102 20 10 FGCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756862173 722970840 /nfs/dbraw/zinc/97/08/40/722970840.db2.gz BFQIZJWBQZJOGJ-IBTMFYDMSA-N 0 0 350.415 3.273 20 10 FGCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000756875289 722971063 /nfs/dbraw/zinc/97/10/63/722971063.db2.gz VWUQQBHYLZJZDO-MLGOLLRUSA-N 0 0 351.443 3.196 20 10 FGCDRN C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000757655386 722977989 /nfs/dbraw/zinc/97/79/89/722977989.db2.gz NXWQPIOZYJOVPN-ZJUUUORDSA-N 0 0 352.283 3.317 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2scnc2Br)c1 ZINC000758054192 722983540 /nfs/dbraw/zinc/98/35/40/722983540.db2.gz LZLDAWUMNDWLKY-ZETCQYMHSA-N 0 0 357.229 3.111 20 10 FGCDRN CCNC(=O)c1cccc(NC(=O)NCCCSc2nccs2)c1 ZINC000758508713 722990850 /nfs/dbraw/zinc/99/08/50/722990850.db2.gz RGAMARJUSNBJQR-UHFFFAOYSA-N 0 0 364.496 3.197 20 10 FGCDRN CC(=O)N(C)c1cccc(NC(=O)NCCCSc2nccs2)c1 ZINC000758620335 722992577 /nfs/dbraw/zinc/99/25/77/722992577.db2.gz QAARDEGDBUDCOZ-UHFFFAOYSA-N 0 0 364.496 3.430 20 10 FGCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cc(Cl)cs2)cc1 ZINC000758750549 722994523 /nfs/dbraw/zinc/99/45/23/722994523.db2.gz WTYAHAAAJRGTKY-UHFFFAOYSA-N 0 0 366.870 3.283 20 10 FGCDRN C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc2N(C)C1=O ZINC000759164730 723000737 /nfs/dbraw/zinc/00/07/37/723000737.db2.gz SASNBMIXXKPFOH-CHOZFAJLSA-N 0 0 355.825 3.394 20 10 FGCDRN O=C(NCCCSc1nccs1)NC[C@H]1OCCc2ccccc21 ZINC000759579046 723009785 /nfs/dbraw/zinc/00/97/85/723009785.db2.gz IPHGDYUATIOLDR-OAHLLOKOSA-N 0 0 363.508 3.239 20 10 FGCDRN Cc1sc(NC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1C ZINC000759597866 723011099 /nfs/dbraw/zinc/01/10/99/723011099.db2.gz TXBSOAWKTVCAQT-FNORWQNLSA-N 0 0 361.419 3.280 20 10 FGCDRN O=C(NCCCSc1nccs1)N1CCOC[C@H]1c1ccccc1 ZINC000759601450 723011454 /nfs/dbraw/zinc/01/14/54/723011454.db2.gz JYVGMGPHAWJILI-HNNXBMFYSA-N 0 0 363.508 3.408 20 10 FGCDRN C[C@H](NC(=O)NCCCSc1nccs1)[C@H](O)c1cccc(F)c1 ZINC000759603604 723011520 /nfs/dbraw/zinc/01/15/20/723011520.db2.gz ZIVDLAXMUGLFHD-FZMZJTMJSA-N 0 0 369.487 3.186 20 10 FGCDRN COc1ccc2c(c1)OC[C@H]2CC(=O)NCCCSc1nccs1 ZINC000760552067 723064404 /nfs/dbraw/zinc/06/44/04/723064404.db2.gz INLSMDYXKZUJJK-GFCCVEGCSA-N 0 0 364.492 3.316 20 10 FGCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCN(c2cnccn2)CC1 ZINC000789768040 723072378 /nfs/dbraw/zinc/07/23/78/723072378.db2.gz DMUVPJQXQIPFDT-UHFFFAOYSA-N 0 0 350.825 3.076 20 10 FGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H](C)[S@](=O)CC1 ZINC000760647144 723075221 /nfs/dbraw/zinc/07/52/21/723075221.db2.gz WXBNMIGWGRBUGF-CRICUBBOSA-N 0 0 358.507 3.386 20 10 FGCDRN Cc1cc(C(=O)N[C@H](C)c2ncnn2C)c(C)n1-c1cccc(Cl)c1 ZINC000789865804 723078850 /nfs/dbraw/zinc/07/88/50/723078850.db2.gz VIIMGHVLEKDSPE-GFCCVEGCSA-N 0 0 357.845 3.367 20 10 FGCDRN CC(C)(C)C[C@H](CC(=O)[O-])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789904779 723083665 /nfs/dbraw/zinc/08/36/65/723083665.db2.gz ZZRDOUKOJDCGBH-HNNXBMFYSA-N 0 0 352.450 3.031 20 10 FGCDRN COc1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(C(F)(F)F)c1 ZINC000789974917 723090261 /nfs/dbraw/zinc/09/02/61/723090261.db2.gz XPOGYNYMAGSTQA-UHFFFAOYSA-N 0 0 359.275 3.194 20 10 FGCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CCc2cccs2)cc1 ZINC000790012207 723095034 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C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1cc(F)cc(F)c1[O-] ZINC000790734595 723171261 /nfs/dbraw/zinc/17/12/61/723171261.db2.gz AGXIILUOBFHPLM-JQWIXIFHSA-N 0 0 357.347 3.450 20 10 FGCDRN C[C@@H]1C[C@@H](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000761703497 723178088 /nfs/dbraw/zinc/17/80/88/723178088.db2.gz HKKLDFQLRXEIIK-OLZOCXBDSA-N 0 0 366.845 3.015 20 10 FGCDRN Cc1cc(Br)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000790930652 723195385 /nfs/dbraw/zinc/19/53/85/723195385.db2.gz BILAHQHQAOTZTN-OGHNNQOOSA-N 0 0 370.287 3.231 20 10 FGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CCCCS1 ZINC000761998292 723204764 /nfs/dbraw/zinc/20/47/64/723204764.db2.gz LPIQOMQUTCLHRP-ZDUSSCGKSA-N 0 0 354.859 3.096 20 10 FGCDRN Cc1cc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000791179570 723217493 /nfs/dbraw/zinc/21/74/93/723217493.db2.gz YYWOYLXJDKALDU-HOTGVXAUSA-N 0 0 358.507 3.384 20 10 FGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1[O-] ZINC000762616148 723262725 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CC[C@H]1NC(=O)N(c2cccc(NCc3cccc(Cl)c3O)c2)C1=O ZINC000793359310 723429043 /nfs/dbraw/zinc/42/90/43/723429043.db2.gz VZQMLNCNAKEHRL-OAHLLOKOSA-N 0 0 359.813 3.493 20 10 FGCDRN CC[C@@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)C[C@]2(CCOC2)O1 ZINC000793362440 723429885 /nfs/dbraw/zinc/42/98/85/723429885.db2.gz SWKHXBXKRBLHPE-XLIONFOSSA-N 0 0 350.478 3.442 20 10 FGCDRN O=C(NCCc1cccs1)NCc1cccc(Br)c1O ZINC000764756893 723443059 /nfs/dbraw/zinc/44/30/59/723443059.db2.gz IYUJEOIXETVGTB-UHFFFAOYSA-N 0 0 355.257 3.258 20 10 FGCDRN C[C@H](Cc1ccco1)NC(=O)NCc1cccc(Br)c1O ZINC000764761352 723443389 /nfs/dbraw/zinc/44/33/89/723443389.db2.gz LLXSNFYGKJRYMS-SNVBAGLBSA-N 0 0 353.216 3.178 20 10 FGCDRN CC[C@H](NC(=O)NCc1cccc(Br)c1O)C(F)(F)F ZINC000764806399 723448699 /nfs/dbraw/zinc/44/86/99/723448699.db2.gz PRFHURPFMQUWQB-VIFPVBQESA-N 0 0 355.154 3.295 20 10 FGCDRN Nc1ncnc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1Cl ZINC000764807447 723448961 /nfs/dbraw/zinc/44/89/61/723448961.db2.gz MTSVWGFBWCMWKR-UHFFFAOYSA-N 0 0 369.803 3.395 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VAHXWSOQCLGYRP-CHWSQXEVSA-N 0 0 357.545 3.064 20 10 FGCDRN Oc1cc2c(cc1CN1CCO[C@H](c3ccc(Cl)cc3)C1)[C@@H](O)CO2 ZINC000768441578 723657692 /nfs/dbraw/zinc/65/76/92/723657692.db2.gz DTHBKDYWCQTDBT-HKUYNNGSSA-N 0 0 361.825 3.045 20 10 FGCDRN CN(Cc1cnn(-c2ccccc2)n1)Cc1cc(Br)ccc1O ZINC000768782405 723667076 /nfs/dbraw/zinc/66/70/76/723667076.db2.gz RHFVOERFHGUWBY-UHFFFAOYSA-N 0 0 373.254 3.367 20 10 FGCDRN CCCC(=O)NC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000768881318 723670820 /nfs/dbraw/zinc/67/08/20/723670820.db2.gz LBSPTUGGFYTNBI-UHFFFAOYSA-N 0 0 355.276 3.035 20 10 FGCDRN CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CC1 ZINC000769123066 723677509 /nfs/dbraw/zinc/67/75/09/723677509.db2.gz VECVBEVEKBWOPI-UHFFFAOYSA-N 0 0 356.806 3.119 20 10 FGCDRN COC(=O)c1ccc2c(c1)CN(Cc1cc(Br)ccc1O)C2 ZINC000769368234 723683552 /nfs/dbraw/zinc/68/35/52/723683552.db2.gz CJRDFEHMVBMRSM-UHFFFAOYSA-N 0 0 362.223 3.457 20 10 FGCDRN CCOc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000769394721 723684140 /nfs/dbraw/zinc/68/41/40/723684140.db2.gz CHSULSFEUVUJHF-AWEZNQCLSA-N 0 0 350.459 3.232 20 10 FGCDRN COc1cc(Br)cc(CN2CCOC[C@@H]2CC(C)C)c1O ZINC000769399490 723684396 /nfs/dbraw/zinc/68/43/96/723684396.db2.gz SFIKFXLPJSHQPL-AWEZNQCLSA-N 0 0 358.276 3.410 20 10 FGCDRN Cc1cc(C(=O)NCCc2nnc(C)[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000769775328 723694803 /nfs/dbraw/zinc/69/48/03/723694803.db2.gz GIHHGHZYWJPKLT-UHFFFAOYSA-N 0 0 357.845 3.147 20 10 FGCDRN O=C(O[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C1=CC(=O)CS1 ZINC000770367126 723712032 /nfs/dbraw/zinc/71/20/32/723712032.db2.gz GWXARQQGFNWFBR-LBPRGKRZSA-N 0 0 371.336 3.435 20 10 FGCDRN O=C1NCCN(Cc2ccccc2O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000770505303 723715358 /nfs/dbraw/zinc/71/53/58/723715358.db2.gz OFLKPEDKSOCFHW-INIZCTEOSA-N 0 0 350.340 3.084 20 10 FGCDRN O=C(NCCCSc1nccs1)NCc1ccc2c(n1)CCCC2 ZINC000770740741 723720350 /nfs/dbraw/zinc/72/03/50/723720350.db2.gz RUWYFYFOIDWKAD-UHFFFAOYSA-N 0 0 362.524 3.399 20 10 FGCDRN O=C1NC(=S)S/C1=C\c1ccc2ccc(Br)cc2n1 ZINC000771519797 723736954 /nfs/dbraw/zinc/73/69/54/723736954.db2.gz IDLNRRXLULAGAG-WDZFZDKYSA-N 0 0 351.250 3.486 20 10 FGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cnn(C(F)F)c1 ZINC000772475082 723760640 /nfs/dbraw/zinc/76/06/40/723760640.db2.gz YVBQDJOPHXZRAN-UHFFFAOYSA-N 0 0 367.425 3.153 20 10 FGCDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000772542336 723762356 /nfs/dbraw/zinc/76/23/56/723762356.db2.gz UVLLQAMWJGPGID-SNVBAGLBSA-N 0 0 364.785 3.329 20 10 FGCDRN C[C@H](NS(=O)(=O)c1cnc2ccsc2c1)c1ccc(N(C)C)cc1 ZINC000773088825 723776508 /nfs/dbraw/zinc/77/65/08/723776508.db2.gz PGQZGRBZYDMEHT-LBPRGKRZSA-N 0 0 361.492 3.402 20 10 FGCDRN C[C@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000773090256 723776519 /nfs/dbraw/zinc/77/65/19/723776519.db2.gz WPJGSUURIOXQAL-JTQLQIEISA-N 0 0 374.293 3.494 20 10 FGCDRN C[C@@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000773090258 723776599 /nfs/dbraw/zinc/77/65/99/723776599.db2.gz WPJGSUURIOXQAL-SNVBAGLBSA-N 0 0 374.293 3.494 20 10 FGCDRN C[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000773169954 723778097 /nfs/dbraw/zinc/77/80/97/723778097.db2.gz QYUFIMKGGFMOSN-FZKQIMNGSA-N 0 0 361.873 3.500 20 10 FGCDRN C[C@@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000773214103 723779301 /nfs/dbraw/zinc/77/93/01/723779301.db2.gz LNUOMUFEMYHPJC-AWEZNQCLSA-N 0 0 350.478 3.475 20 10 FGCDRN C[C@H](NC(=O)NC[C@@H](O)c1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000773630645 723808081 /nfs/dbraw/zinc/80/80/81/723808081.db2.gz VAUWMVBIIVTUOQ-SCLBCKFNSA-N 0 0 361.873 3.500 20 10 FGCDRN COc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2Cl)c1O ZINC000797448400 723819401 /nfs/dbraw/zinc/81/94/01/723819401.db2.gz QPHWTNDWADHOBV-UHFFFAOYSA-N 0 0 362.234 3.186 20 10 FGCDRN COc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1O ZINC000797819424 723866004 /nfs/dbraw/zinc/86/60/04/723866004.db2.gz ITMXKRBUMMSXMW-UHFFFAOYSA-N 0 0 351.424 3.236 20 10 FGCDRN O=C([C@@H]1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1)N1CCCCC1 ZINC000797885807 723878522 /nfs/dbraw/zinc/87/85/22/723878522.db2.gz AXGNQXUIBDFRCW-OLZOCXBDSA-N 0 0 354.853 3.456 20 10 FGCDRN CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000774401919 723889222 /nfs/dbraw/zinc/88/92/22/723889222.db2.gz IAABZLXJYRYRFI-AWEZNQCLSA-N 0 0 363.508 3.009 20 10 FGCDRN Cc1cc(C(=O)NCC2([S@@](C)=O)CCC2)c(C)n1-c1ccc(F)cc1 ZINC000798102281 723904619 /nfs/dbraw/zinc/90/46/19/723904619.db2.gz XGOCHSFPSOXYMR-RUZDIDTESA-N 0 0 362.470 3.264 20 10 FGCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)CSC ZINC000798248379 723918322 /nfs/dbraw/zinc/91/83/22/723918322.db2.gz AJWAEQYMQYVJSF-CQSZACIVSA-N 0 0 366.527 3.374 20 10 FGCDRN O=C(NCCCSc1nccs1)NCc1ccc(OC(F)F)cn1 ZINC000774911511 723941960 /nfs/dbraw/zinc/94/19/60/723941960.db2.gz HGCURMBYTNKDGF-UHFFFAOYSA-N 0 0 374.438 3.121 20 10 FGCDRN COc1c([O-])c(C[NH2+]CCOc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774940875 723944411 /nfs/dbraw/zinc/94/44/11/723944411.db2.gz FILFTQGRCABKMZ-UHFFFAOYSA-N 0 0 352.774 3.131 20 10 FGCDRN COc1c(O)c(CNc2ccc3c(c2)OC(F)(F)O3)ccc1[N+](=O)[O-] ZINC000774977423 723947263 /nfs/dbraw/zinc/94/72/63/723947263.db2.gz PIXYDDJVSGEXKD-UHFFFAOYSA-N 0 0 354.265 3.243 20 10 FGCDRN CCN(CC)c1ccc(CN2CCCC[C@H](S(C)(=O)=O)C2)cc1F ZINC000775191684 723970171 /nfs/dbraw/zinc/97/01/71/723970171.db2.gz IMLSFTRQRSSTAQ-INIZCTEOSA-N 0 0 356.507 3.071 20 10 FGCDRN C[C@H](NC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000775467729 723993377 /nfs/dbraw/zinc/99/33/77/723993377.db2.gz IPEXYTJJSXQITA-ZDUSSCGKSA-N 0 0 361.467 3.039 20 10 FGCDRN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000776014383 724097129 /nfs/dbraw/zinc/09/71/29/724097129.db2.gz RINMFNCTZAWZHB-QWHCGFSZSA-N 0 0 362.253 3.242 20 10 FGCDRN COc1cc(C[C@@H](CO)C[NH2+]Cc2cccc(Cl)c2[O-])cc(OC)c1 ZINC000776231161 724121620 /nfs/dbraw/zinc/12/16/20/724121620.db2.gz NRDHXDLOUXLAJO-CQSZACIVSA-N 0 0 365.857 3.004 20 10 FGCDRN [O-]c1c(Br)cccc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000776251377 724123989 /nfs/dbraw/zinc/12/39/89/724123989.db2.gz FIYNVLYFXODWNY-ZDUSSCGKSA-N 0 0 364.239 3.474 20 10 FGCDRN CCOc1cccc(S(=O)(=O)N(CC)Cc2ccc(N(C)C)cc2)c1 ZINC000800000346 724125651 /nfs/dbraw/zinc/12/56/51/724125651.db2.gz BOFDWUIXVWMUIG-UHFFFAOYSA-N 0 0 362.495 3.362 20 10 FGCDRN CCOCCOCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800046729 724135766 /nfs/dbraw/zinc/13/57/66/724135766.db2.gz BZMLUZPBGYCLGK-HNNXBMFYSA-N 0 0 368.905 3.246 20 10 FGCDRN Cc1cnn(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1 ZINC000800048576 724136054 /nfs/dbraw/zinc/13/60/54/724136054.db2.gz FLFKZJDEXAENIO-AWEZNQCLSA-N 0 0 360.889 3.398 20 10 FGCDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1OC ZINC000776751935 724179748 /nfs/dbraw/zinc/17/97/48/724179748.db2.gz ZLQMYKNKLNDLNT-UHFFFAOYSA-N 0 0 357.815 3.172 20 10 FGCDRN CC[C@@](O)(C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000800531850 724209354 /nfs/dbraw/zinc/20/93/54/724209354.db2.gz HPIJBYGTSROKOR-BUXKBTBVSA-N 0 0 363.841 3.096 20 10 FGCDRN Cc1ccc(Br)c2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2 ZINC000777254863 724216584 /nfs/dbraw/zinc/21/65/84/724216584.db2.gz BDDOKDKJSKYQSH-SOFGYWHQSA-N 0 0 360.255 3.484 20 10 FGCDRN CCCCN(Cc1ccccc1O)C(=O)Cn1ccc(C(F)(F)F)n1 ZINC000801545160 724312366 /nfs/dbraw/zinc/31/23/66/724312366.db2.gz IFURHUPTTAJMAR-UHFFFAOYSA-N 0 0 355.360 3.436 20 10 FGCDRN COC(=O)CCC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCCC2 ZINC000801696621 724325486 /nfs/dbraw/zinc/32/54/86/724325486.db2.gz IOJSDYXGLCYSLA-UHFFFAOYSA-N 0 0 367.467 3.474 20 10 FGCDRN COc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)nc2C)c1O ZINC000801857336 724341010 /nfs/dbraw/zinc/34/10/10/724341010.db2.gz GVMZBBYVSACXER-UHFFFAOYSA-N 0 0 355.316 3.445 20 10 FGCDRN COc1cccc(CNC(=O)NCc2ccsc2Br)c1O ZINC000802329620 724378258 /nfs/dbraw/zinc/37/82/58/724378258.db2.gz IPARMVNENMIPKO-UHFFFAOYSA-N 0 0 371.256 3.224 20 10 FGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000784561515 724863274 /nfs/dbraw/zinc/86/32/74/724863274.db2.gz RYOAZKJXDATVHW-UHFFFAOYSA-N 0 0 364.785 3.436 20 10 FGCDRN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Cc3ccccc3)sc2n1 ZINC000785108866 724896862 /nfs/dbraw/zinc/89/68/62/724896862.db2.gz NIGKYRCQAXOCSB-UHFFFAOYSA-N 0 0 354.431 3.464 20 10 FGCDRN COC(=O)[C@@H](OC(=O)c1ccc(C)c(O)c1O)c1c(F)cccc1Cl ZINC000785274309 724905042 /nfs/dbraw/zinc/90/50/42/724905042.db2.gz QTGGTNPJAPLVRR-HNNXBMFYSA-N 0 0 368.744 3.270 20 10 FGCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000786341098 724974116 /nfs/dbraw/zinc/97/41/16/724974116.db2.gz CJHSISHKFGUTBD-WRSAYESZSA-N 0 0 350.411 3.198 20 10 FGCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000786946227 725009544 /nfs/dbraw/zinc/00/95/44/725009544.db2.gz IBTTZMJTWMFUSZ-UHFFFAOYSA-N 0 0 352.887 3.368 20 10 FGCDRN Cc1cscc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000787062327 725015282 /nfs/dbraw/zinc/01/52/82/725015282.db2.gz AKFHOVHZLWCRQO-HNNXBMFYSA-N 0 0 359.495 3.454 20 10 FGCDRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)C1=CC(=O)CS1 ZINC000787927952 725040693 /nfs/dbraw/zinc/04/06/93/725040693.db2.gz MQZASTPKWMWDIJ-LLVKDONJSA-N 0 0 367.268 3.225 20 10 FGCDRN C[C@H](CNC(=O)NCc1cc(Br)ccc1O)c1ccncc1 ZINC000805171858 725054413 /nfs/dbraw/zinc/05/44/13/725054413.db2.gz QABYBQLJWXPTGR-LLVKDONJSA-N 0 0 364.243 3.153 20 10 FGCDRN CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805198173 725055942 /nfs/dbraw/zinc/05/59/42/725055942.db2.gz MGYMPHRVABGSKP-GFCCVEGCSA-N 0 0 374.312 3.476 20 10 FGCDRN CC1(C)C[C@H](NC(=O)NCc2cc(Br)ccc2O)C(C)(C)O1 ZINC000805272651 725061295 /nfs/dbraw/zinc/06/12/95/725061295.db2.gz URFXYLHLHZJPIR-ZDUSSCGKSA-N 0 0 371.275 3.300 20 10 FGCDRN CCOC[C@@H](NC(=O)NCc1cc(Br)ccc1O)C(C)C ZINC000805334608 725065482 /nfs/dbraw/zinc/06/54/82/725065482.db2.gz ZRAGHQWDBUYDBT-CYBMUJFWSA-N 0 0 359.264 3.015 20 10 FGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1ncc(Br)s1 ZINC000788958776 725098900 /nfs/dbraw/zinc/09/89/00/725098900.db2.gz VIBBMXPBLLUNRE-DUXPYHPUSA-N 0 0 356.197 3.073 20 10 FGCDRN CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806137102 725117432 /nfs/dbraw/zinc/11/74/32/725117432.db2.gz KEWHBEPPMWHAOW-SJORKVTESA-N 0 0 367.921 3.029 20 10 FGCDRN CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Cl)c1[O-] ZINC000806154279 725118444 /nfs/dbraw/zinc/11/84/44/725118444.db2.gz DCGVVOWDFJAGPS-UVBJJODRSA-N 0 0 362.861 3.014 20 10 FGCDRN NC(=O)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1F ZINC000806256352 725121854 /nfs/dbraw/zinc/12/18/54/725121854.db2.gz MZZHDCPFFQWIER-UHFFFAOYSA-N 0 0 372.183 3.259 20 10 FGCDRN CON(CC(C)(C)C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000806439872 725129100 /nfs/dbraw/zinc/12/91/00/725129100.db2.gz GNRITXWUSUSDGR-UHFFFAOYSA-N 0 0 351.516 3.359 20 10 FGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCc1cn[nH]c1 ZINC000806585827 725135059 /nfs/dbraw/zinc/13/50/59/725135059.db2.gz MDJFHCBFSKMASE-UHFFFAOYSA-N 0 0 356.451 3.399 20 10 FGCDRN O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000807756223 725168223 /nfs/dbraw/zinc/16/82/23/725168223.db2.gz NZRSWNWYHBEXHC-CYBMUJFWSA-N 0 0 352.456 3.117 20 10 FGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000808095346 725183412 /nfs/dbraw/zinc/18/34/12/725183412.db2.gz CHNDMGRMRCVSOJ-UHFFFAOYSA-N 0 0 353.484 3.491 20 10 FGCDRN Cc1cc(C(=O)N[C@H]2C(=O)OCC2(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000808107131 725184013 /nfs/dbraw/zinc/18/40/13/725184013.db2.gz DGBCFLVFGCYTHS-INIZCTEOSA-N 0 0 360.841 3.429 20 10 FGCDRN COC(OC)[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000808155710 725186170 /nfs/dbraw/zinc/18/61/70/725186170.db2.gz PSJZKEUVQQIKDP-GFCCVEGCSA-N 0 0 350.846 3.485 20 10 FGCDRN CC(=O)C(=O)COC(=O)[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000808515064 725204389 /nfs/dbraw/zinc/20/43/89/725204389.db2.gz ISYSWEVUAXLNPS-KRWDZBQOSA-N 0 0 364.369 3.500 20 10 FGCDRN CC(=O)C(=O)COC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000808512317 725204414 /nfs/dbraw/zinc/20/44/14/725204414.db2.gz RCXKGPNGKHSFDT-UHFFFAOYSA-N 0 0 357.309 3.144 20 10 FGCDRN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697340 725260029 /nfs/dbraw/zinc/26/00/29/725260029.db2.gz FDASZJBPMYZLOY-QWRGUYRKSA-N 0 0 368.193 3.147 20 10 FGCDRN COc1c([O-])c(C[NH2+]CCc2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000809728440 725263253 /nfs/dbraw/zinc/26/32/53/725263253.db2.gz XECKVISIAHYYIL-UHFFFAOYSA-N 0 0 359.407 3.251 20 10 FGCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2O)[C@@H](C(F)F)C1 ZINC000809784459 725268607 /nfs/dbraw/zinc/26/86/07/725268607.db2.gz VOXSDYMRIJNWCV-CYBMUJFWSA-N 0 0 360.376 3.218 20 10 FGCDRN COc1ccccc1N(CCO)Cc1cc(C)cc(Br)c1O ZINC000809792843 725269330 /nfs/dbraw/zinc/26/93/30/725269330.db2.gz JEGFONHGUAHFQE-UHFFFAOYSA-N 0 0 366.255 3.471 20 10 FGCDRN COC[C@@H](C)CS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000809818573 725270748 /nfs/dbraw/zinc/27/07/48/725270748.db2.gz LUZHZIWGCTYXDM-OAHLLOKOSA-N 0 0 355.500 3.139 20 10 FGCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCSC3)cc2F)C[C@H](C)O1 ZINC000810168182 725294343 /nfs/dbraw/zinc/29/43/43/725294343.db2.gz XDZBTEMUOHRGTH-LZWOXQAQSA-N 0 0 366.502 3.199 20 10 FGCDRN Cc1cc(=O)cc(C)n1CCCC(=O)NCCCSc1nccs1 ZINC000810398037 725306322 /nfs/dbraw/zinc/30/63/22/725306322.db2.gz FMUPDYJMCCWCIT-UHFFFAOYSA-N 0 0 365.524 3.000 20 10 FGCDRN COC[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])OCCc2ccccc21 ZINC000811509790 725371163 /nfs/dbraw/zinc/37/11/63/725371163.db2.gz DYJDFYJZRVIQSL-IBGZPJMESA-N 0 0 365.832 3.389 20 10 FGCDRN Cc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000811705346 725377292 /nfs/dbraw/zinc/37/72/92/725377292.db2.gz SODXWBGKWLVWPJ-UHFFFAOYSA-N 0 0 370.858 3.475 20 10 FGCDRN COc1ccc(Cl)c(NC(=S)NCc2ncccc2N(C)C)c1 ZINC000811709558 725377597 /nfs/dbraw/zinc/37/75/97/725377597.db2.gz ATYTTZUQADADBE-UHFFFAOYSA-N 0 0 350.875 3.296 20 10 FGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1(F)F ZINC000811864712 725383419 /nfs/dbraw/zinc/38/34/19/725383419.db2.gz JFFHUYJAIVAPGL-CQSZACIVSA-N 0 0 369.481 3.427 20 10 FGCDRN O=C(C[C@@H](O)Cc1ccccc1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683859 726904954 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ZINC000757851067 722980463 /nfs/dbraw/zinc/98/04/63/722980463.db2.gz BWXSBPGCDGJHMS-UHFFFAOYSA-N 0 0 350.821 3.283 20 10 FGCDRN Cc1ccc(C(=O)N2CCN(Cc3cc(Cl)ccc3O)CC2)cc1F ZINC000768253225 723651998 /nfs/dbraw/zinc/65/19/98/723651998.db2.gz WIYXGXTXEAQEBC-UHFFFAOYSA-N 0 0 362.832 3.451 20 10 FGCDRN CCN(CC)c1ccc(CN2CCSC[C@@H]2CC(=O)OC)cc1F ZINC000769470259 723686669 /nfs/dbraw/zinc/68/66/69/723686669.db2.gz JUTUMJZJSKWJHU-HNNXBMFYSA-N 0 0 354.491 3.152 20 10 FGCDRN Cc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(O)c1O ZINC000803636657 724457148 /nfs/dbraw/zinc/45/71/48/724457148.db2.gz CSYZDUUTSPTBCJ-UHFFFAOYSA-N 0 0 367.155 3.329 20 10 FGCDRN CCc1noc(CC)c1CC(=O)NCc1cc(Br)ccc1O ZINC000804733802 724546231 /nfs/dbraw/zinc/54/62/31/724546231.db2.gz ZNOZUDGGUMNLCV-UHFFFAOYSA-N 0 0 367.243 3.126 20 10 FGCDRN C[C@H]1CCCC[C@@H]1OCC(=O)NCc1cc(Br)ccc1O ZINC000804734112 724546279 /nfs/dbraw/zinc/54/62/79/724546279.db2.gz DJQQBJOMLZBLGP-NHYWBVRUSA-N 0 0 356.260 3.366 20 10 FGCDRN COc1cccc(CC(=O)NCc2cc(Br)ccc2O)c1 ZINC000804734496 724546664 /nfs/dbraw/zinc/54/66/64/724546664.db2.gz NTXUJQALOAQUCZ-UHFFFAOYSA-N 0 0 350.212 3.022 20 10 FGCDRN O=C(COCCc1ccccc1)NCc1cc(Br)ccc1O ZINC000804736651 724547350 /nfs/dbraw/zinc/54/73/50/724547350.db2.gz WZEZACZCIJPILX-UHFFFAOYSA-N 0 0 364.239 3.030 20 10 FGCDRN C[C@](O)(CC(=O)NCc1cc(Br)ccc1O)c1ccccc1 ZINC000804736420 724547386 /nfs/dbraw/zinc/54/73/86/724547386.db2.gz RVUNIGLFEGUOBH-KRWDZBQOSA-N 0 0 364.239 3.069 20 10 FGCDRN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1cc(Br)ccc1O ZINC000804737424 724547787 /nfs/dbraw/zinc/54/77/87/724547787.db2.gz QNTIRFBTIIPDRA-SMDDNHRTSA-N 0 0 358.276 3.348 20 10 FGCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(-n2cccn2)cc1 ZINC000804738850 724548116 /nfs/dbraw/zinc/54/81/16/724548116.db2.gz HBCRCSYCHUEZAW-UHFFFAOYSA-N 0 0 372.222 3.270 20 10 FGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000781363296 724557271 /nfs/dbraw/zinc/55/72/71/724557271.db2.gz MSTIDCHUDNXAFP-MRXNPFEDSA-N 0 0 353.413 3.200 20 10 FGCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(SC(F)F)cc1 ZINC000781546085 724573222 /nfs/dbraw/zinc/57/32/22/724573222.db2.gz YRTUDDUDVYTWQF-FMIVXFBMSA-N 0 0 356.419 3.304 20 10 FGCDRN COC(=O)[C@H]1CCCCCN1Cc1cc(Br)cc(OC)c1O ZINC000781526430 724572472 /nfs/dbraw/zinc/57/24/72/724572472.db2.gz DGFNCSLQXKNKLG-CYBMUJFWSA-N 0 0 372.259 3.081 20 10 FGCDRN Cc1cc(Br)c(O)c([C@@H]2NC(=O)CN2Cc2ccccc2)c1 ZINC000781558215 724574289 /nfs/dbraw/zinc/57/42/89/724574289.db2.gz QVKXDYAQGOEUOC-QGZVFWFLSA-N 0 0 361.239 3.094 20 10 FGCDRN COCCOC1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781914580 724611730 /nfs/dbraw/zinc/61/17/30/724611730.db2.gz YRRJXSOZGKAOKN-UHFFFAOYSA-N 0 0 358.276 3.091 20 10 FGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000781909002 724611045 /nfs/dbraw/zinc/61/10/45/724611045.db2.gz NDGMOXWRZNKHRJ-ZDUSSCGKSA-N 0 0 364.287 3.261 20 10 FGCDRN O=C(CSc1ccc2c(c1)CCC2)OCC(=O)c1ccc(O)c(O)c1 ZINC000782096573 724628811 /nfs/dbraw/zinc/62/88/11/724628811.db2.gz 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COc1ccc([C@@H](NC(=O)COC(=O)C2=CC(=O)CS2)C(C)C)cc1 ZINC000732354911 722484291 /nfs/dbraw/zinc/48/42/91/722484291.db2.gz WDHAHMRWMXUYNV-KRWDZBQOSA-N 0 0 363.435 3.133 20 10 FGCDRN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)C1=CC(=O)CS1 ZINC000733809855 722501001 /nfs/dbraw/zinc/50/10/01/722501001.db2.gz JLHSTNYBDIMAIA-GFCCVEGCSA-N 0 0 370.352 3.008 20 10 FGCDRN COc1ccc(/C=C/C(=O)NCCCSc2nccs2)cc1OC ZINC000733884053 722501873 /nfs/dbraw/zinc/50/18/73/722501873.db2.gz KUGJWJQCCKIMII-FNORWQNLSA-N 0 0 364.492 3.472 20 10 FGCDRN CC[S@@](=O)CCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000733963118 722502915 /nfs/dbraw/zinc/50/29/15/722502915.db2.gz UKKPIRWXFRJLPT-XMMPIXPASA-N 0 0 366.914 3.175 20 10 FGCDRN CN(C)c1cc(C(=O)NCCCSc2nccs2)cc(Cl)n1 ZINC000733973879 722502998 /nfs/dbraw/zinc/50/29/98/722502998.db2.gz DNJPLKIYRHYOBW-UHFFFAOYSA-N 0 0 356.904 3.170 20 10 FGCDRN COc1ccc(O)c(CNC(=O)Nc2cc3c(cc2Cl)OCO3)c1 ZINC000734060519 722503963 /nfs/dbraw/zinc/50/39/63/722503963.db2.gz 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/nfs/dbraw/zinc/59/89/79/722598979.db2.gz CJEDTGHFDJHAEN-OAHLLOKOSA-N 0 0 353.482 3.268 20 10 FGCDRN CN(C)c1ccc(CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1F ZINC000746803372 722618567 /nfs/dbraw/zinc/61/85/67/722618567.db2.gz UADNMTOVTGDMJR-CQSZACIVSA-N 0 0 362.832 3.413 20 10 FGCDRN Fc1cc(NNC(=S)Nc2ccc3c(c2)OCCO3)cc(F)c1F ZINC000747657721 722654967 /nfs/dbraw/zinc/65/49/67/722654967.db2.gz CGOAFFJTVFUENH-UHFFFAOYSA-N 0 0 355.341 3.189 20 10 FGCDRN CCN(CC)C(=S)SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000748014573 722671422 /nfs/dbraw/zinc/67/14/22/722671422.db2.gz JUDQJJVUJWDPSK-UHFFFAOYSA-N 0 0 353.557 3.071 20 10 FGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(C(N)=O)s1 ZINC000749716473 722738092 /nfs/dbraw/zinc/73/80/92/722738092.db2.gz DSGKUTAQXBNJSK-UHFFFAOYSA-N 0 0 357.479 3.110 20 10 FGCDRN Cc1cc(CC(=O)NCCn2cccn2)c(C)n1-c1ccc(Cl)cc1 ZINC000749980985 722750793 /nfs/dbraw/zinc/75/07/93/722750793.db2.gz DBCIETAHVPZXKF-UHFFFAOYSA-N 0 0 356.857 3.303 20 10 FGCDRN CCOC(=O)CC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750036201 722752506 /nfs/dbraw/zinc/75/25/06/722752506.db2.gz NFCSACFBOQFKQT-UHFFFAOYSA-N 0 0 353.846 3.413 20 10 FGCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000750045701 722752878 /nfs/dbraw/zinc/75/28/78/722752878.db2.gz VMHHUIRRJBGRSN-JSGCOSHPSA-N 0 0 351.752 3.136 20 10 FGCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000750056427 722753371 /nfs/dbraw/zinc/75/33/71/722753371.db2.gz HSCLXYNXHVFHMH-OQPBUACISA-N 0 0 351.752 3.400 20 10 FGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1C=O ZINC000751020825 722791039 /nfs/dbraw/zinc/79/10/39/722791039.db2.gz MDKNHMZEZUKDRO-UHFFFAOYSA-N 0 0 360.479 3.164 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000751318188 722801511 /nfs/dbraw/zinc/80/15/11/722801511.db2.gz KTLMWMFYDFKRLW-SNVBAGLBSA-N 0 0 364.448 3.050 20 10 FGCDRN CN(C)c1ccc(CN(C(=O)C[C@@H]2CSCCS2)C2CC2)cc1 ZINC000751590317 722815108 /nfs/dbraw/zinc/81/51/08/722815108.db2.gz UEENRFUVLIHIMR-QGZVFWFLSA-N 0 0 350.553 3.482 20 10 FGCDRN Nc1ccc(Cc2nc(C(=O)OCCOCC(F)(F)F)cs2)cc1 ZINC000751937614 722836196 /nfs/dbraw/zinc/83/61/96/722836196.db2.gz SCVJETWIVMMRER-UHFFFAOYSA-N 0 0 360.357 3.052 20 10 FGCDRN COc1ccc(N(C)CC(=O)NCCc2ccc(Cl)cc2)c(OC)c1 ZINC000752108952 722845406 /nfs/dbraw/zinc/84/54/06/722845406.db2.gz DMXVGROLYIQQCL-UHFFFAOYSA-N 0 0 362.857 3.152 20 10 FGCDRN CO[C@@H](C)c1nc(CNCc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000752267064 722851837 /nfs/dbraw/zinc/85/18/37/722851837.db2.gz VUKQIRFRTLHUAM-ZDUSSCGKSA-N 0 0 365.474 3.116 20 10 FGCDRN COC(=O)c1cc(/C=C2/C(=O)N(C)c3ccc(Br)cc32)c[nH]1 ZINC000753134651 722886627 /nfs/dbraw/zinc/88/66/27/722886627.db2.gz LDCMNISPXMECQR-LFYBBSHMSA-N 0 0 361.195 3.081 20 10 FGCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)C3=CC(=O)CS3)C[C@@H]21 ZINC000753510367 722902249 /nfs/dbraw/zinc/90/22/49/722902249.db2.gz BHWWRVWNNJHKCF-KWCYVHTRSA-N 0 0 366.483 3.219 20 10 FGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CC(F)(F)C2)cc1 ZINC000753600280 722906396 /nfs/dbraw/zinc/90/63/96/722906396.db2.gz OBDHWCMAWQFVFN-KRWDZBQOSA-N 0 0 352.425 3.306 20 10 FGCDRN CCNC(=O)c1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000753942884 722919378 /nfs/dbraw/zinc/91/93/78/722919378.db2.gz IQOLJKRNHCOZNY-UHFFFAOYSA-N 0 0 364.496 3.197 20 10 FGCDRN CN(C)c1ccc(CNC(=O)Cc2cc(Cl)cc3c2OCC3)cc1F ZINC000754200849 722931198 /nfs/dbraw/zinc/93/11/98/722931198.db2.gz PGYIBINQJAZBRE-UHFFFAOYSA-N 0 0 362.832 3.339 20 10 FGCDRN COc1ccc(NC(=S)NCc2cccc(N(C)C)n2)cc1Cl ZINC000754692552 722944439 /nfs/dbraw/zinc/94/44/39/722944439.db2.gz PDVSRTDUXVCPPQ-UHFFFAOYSA-N 0 0 350.875 3.296 20 10 FGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1OC(F)(F)F ZINC000755015000 722949295 /nfs/dbraw/zinc/94/92/95/722949295.db2.gz QHOMGVYJFOELCE-UHFFFAOYSA-N 0 0 356.300 3.361 20 10 FGCDRN C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Br)c(F)cc1[O-] ZINC000756377430 722963596 /nfs/dbraw/zinc/96/35/96/722963596.db2.gz VPQAPLOQGLEQQQ-SECBINFHSA-N 0 0 367.218 3.244 20 10 FGCDRN C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756382059 722963680 /nfs/dbraw/zinc/96/36/80/722963680.db2.gz QPMNGMATSQIPRN-PSLIRLAXSA-N 0 0 367.218 3.171 20 10 FGCDRN C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000756389069 722963794 /nfs/dbraw/zinc/96/37/94/722963794.db2.gz AMBHIANWTFMLPE-QMMMGPOBSA-N 0 0 371.666 3.197 20 10 FGCDRN C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000756449824 722964864 /nfs/dbraw/zinc/96/48/64/722964864.db2.gz OELWCOFZAOWGHW-MLUIRONXSA-N 0 0 362.573 3.382 20 10 FGCDRN C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(Br)c(F)cc1[O-] ZINC000756495308 722965590 /nfs/dbraw/zinc/96/55/90/722965590.db2.gz PGPZBLJHUQMOST-VHSXEESVSA-N 0 0 354.223 3.366 20 10 FGCDRN C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756555874 722966813 /nfs/dbraw/zinc/96/68/13/722966813.db2.gz MOAAQGZZXAYCQA-LLVKDONJSA-N 0 0 373.266 3.347 20 10 FGCDRN CCc1nncn1CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756622753 722967805 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/nfs/dbraw/zinc/77/63/04/723776304.db2.gz GBZGNJKCPHYZDU-OAHLLOKOSA-N 0 0 362.495 3.499 20 10 FGCDRN C[C@H](NS(=O)(=O)Cc1noc2ccccc12)c1ccc(N(C)C)cc1 ZINC000773086593 723776370 /nfs/dbraw/zinc/77/63/70/723776370.db2.gz DOYZCYRCDPVANQ-ZDUSSCGKSA-N 0 0 359.451 3.074 20 10 FGCDRN C[C@H](NC(=O)NCCOc1ncccc1Cl)c1ccc(N(C)C)cc1 ZINC000773386655 723783866 /nfs/dbraw/zinc/78/38/66/723783866.db2.gz KPKQWDNVVHMSET-ZDUSSCGKSA-N 0 0 362.861 3.240 20 10 FGCDRN C[C@H](NC(=O)NCc1ccc([S@@](C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000773612465 723806044 /nfs/dbraw/zinc/80/60/44/723806044.db2.gz MMWIOWOWXJCGAE-HWRSSNJWSA-N 0 0 359.495 3.050 20 10 FGCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000773844323 723829219 /nfs/dbraw/zinc/82/92/19/723829219.db2.gz DOMKMIBVRZTSER-LLVKDONJSA-N 0 0 363.820 3.361 20 10 FGCDRN COc1ccc(CNC(=O)Nc2cc(Br)ncc2C)c(O)c1 ZINC000797647885 723845616 /nfs/dbraw/zinc/84/56/16/723845616.db2.gz QNRZOKZTLOVNBQ-UHFFFAOYSA-N 0 0 366.215 3.188 20 10 FGCDRN COc1cc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccc1O ZINC000797819363 723866063 /nfs/dbraw/zinc/86/60/63/723866063.db2.gz HGFCFQXPHDQCHQ-UHFFFAOYSA-N 0 0 351.424 3.297 20 10 FGCDRN C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774255529 723875178 /nfs/dbraw/zinc/87/51/78/723875178.db2.gz CZZHILBKOTVYTL-SECBINFHSA-N 0 0 352.283 3.174 20 10 FGCDRN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774358716 723885307 /nfs/dbraw/zinc/88/53/07/723885307.db2.gz HJRMZTJEJWQMID-FUEDEBDSSA-N 0 0 364.269 3.170 20 10 FGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000798175905 723910380 /nfs/dbraw/zinc/91/03/80/723910380.db2.gz VMCNHDGFPPKQIC-UHFFFAOYSA-N 0 0 360.719 3.138 20 10 FGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(CCO)C2CCSCC2)cc1 ZINC000798265289 723919690 /nfs/dbraw/zinc/91/96/90/723919690.db2.gz FGPAGKKOBKNBOZ-UHFFFAOYSA-N 0 0 358.507 3.424 20 10 FGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(N)=S)cc1 ZINC000798320321 723923021 /nfs/dbraw/zinc/92/30/21/723923021.db2.gz IYRNJFGRLBSXTP-UHFFFAOYSA-N 0 0 355.507 3.438 20 10 FGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C12CCCC2 ZINC000775030845 723954116 /nfs/dbraw/zinc/95/41/16/723954116.db2.gz VPIGNNTWJMBWHC-HUUCEWRRSA-N 0 0 350.415 3.136 20 10 FGCDRN C[C@H](NC(=O)c1csc(-c2cnccn2)n1)c1ccc(N(C)C)cc1 ZINC000775410237 723989024 /nfs/dbraw/zinc/98/90/24/723989024.db2.gz KILKXYQPJJHTAV-LBPRGKRZSA-N 0 0 353.451 3.157 20 10 FGCDRN C[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000775435069 723991438 /nfs/dbraw/zinc/99/14/38/723991438.db2.gz RCBYWMIZSUIWKB-ZDUSSCGKSA-N 0 0 361.467 3.039 20 10 FGCDRN CCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1CC ZINC000775573387 724001763 /nfs/dbraw/zinc/00/17/63/724001763.db2.gz IEXFYBUNIKBXIP-UHFFFAOYSA-N 0 0 362.451 3.141 20 10 FGCDRN COc1ccc(N2CCC(NC(=O)c3nnc(C(C)C)s3)CC2)cc1 ZINC000799624946 724070278 /nfs/dbraw/zinc/07/02/78/724070278.db2.gz AMPCQAKIYPHSGZ-UHFFFAOYSA-N 0 0 360.483 3.069 20 10 FGCDRN CC[C@H](COC)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776212112 724119499 /nfs/dbraw/zinc/11/94/99/724119499.db2.gz KDPCLSKSYBWENR-SNVBAGLBSA-N 0 0 367.081 3.432 20 10 FGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000776175843 724116079 /nfs/dbraw/zinc/11/60/79/724116079.db2.gz VPPHUPVQJTWDJW-FQEVSTJZSA-N 0 0 360.885 3.162 20 10 FGCDRN COC(=O)CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800049647 724136087 /nfs/dbraw/zinc/13/60/87/724136087.db2.gz SLNDSRAEPSBOJW-CYBMUJFWSA-N 0 0 352.862 3.146 20 10 FGCDRN CO[C@H](C)CS(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800148181 724155466 /nfs/dbraw/zinc/15/54/66/724155466.db2.gz IEJOGLRCECWJPN-UONOGXRCSA-N 0 0 374.934 3.031 20 10 FGCDRN CO[C@@H](C)CS(=O)(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800148180 724155581 /nfs/dbraw/zinc/15/55/81/724155581.db2.gz IEJOGLRCECWJPN-KGLIPLIRSA-N 0 0 374.934 3.031 20 10 FGCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(C)(Cl)Cl)cc2F)C[C@@H](C)O1 ZINC000776832097 724187549 /nfs/dbraw/zinc/18/75/49/724187549.db2.gz BZXJHCLOEXJARZ-GHMZBOCLSA-N 0 0 363.260 3.249 20 10 FGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CCCO)cc2Cl)C1 ZINC000800719883 724223988 /nfs/dbraw/zinc/22/39/88/724223988.db2.gz OUPUNGBDZDHEIF-AWEZNQCLSA-N 0 0 353.894 3.100 20 10 FGCDRN C[C@@H](O)CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800720638 724224144 /nfs/dbraw/zinc/22/41/44/724224144.db2.gz VJIWZFSEEGLNFO-UONOGXRCSA-N 0 0 353.894 3.146 20 10 FGCDRN COCCO[C@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000801104233 724270620 /nfs/dbraw/zinc/27/06/20/724270620.db2.gz FWARJCCBSQWTPQ-INIZCTEOSA-N 0 0 362.495 3.423 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000801783892 724334030 /nfs/dbraw/zinc/33/40/30/724334030.db2.gz ULUWWGFEJFCOJX-IHRRRGAJSA-N 0 0 350.459 3.355 20 10 FGCDRN CCC[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)OCC ZINC000801855582 724340707 /nfs/dbraw/zinc/34/07/07/724340707.db2.gz MFWVRVJPNXDVPF-OAHLLOKOSA-N 0 0 362.451 3.205 20 10 FGCDRN COC(=O)COc1ccc(N(C)Cc2cccc(OC(F)F)c2)cc1 ZINC000784568560 724864014 /nfs/dbraw/zinc/86/40/14/724864014.db2.gz ZDOIWUNCHICNKO-UHFFFAOYSA-N 0 0 351.349 3.476 20 10 FGCDRN COc1cc(C(=O)NCCCSc2nccs2)cc(Cl)c1O ZINC000785592544 724923644 /nfs/dbraw/zinc/92/36/44/724923644.db2.gz WSEUEMDQCUSZIF-UHFFFAOYSA-N 0 0 358.872 3.423 20 10 FGCDRN CN(C)c1ccc(CN(C(=O)C(F)(F)C2(O)CCCC2)C2CC2)cc1 ZINC000785807195 724938586 /nfs/dbraw/zinc/93/85/86/724938586.db2.gz HBBYGMDVRSQULP-UHFFFAOYSA-N 0 0 352.425 3.184 20 10 FGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](CO)Cc2ccccc2C)c1 ZINC000786158021 724963969 /nfs/dbraw/zinc/96/39/69/724963969.db2.gz NRFWYUILBNYNJR-INIZCTEOSA-N 0 0 364.283 3.465 20 10 FGCDRN CCOC(=O)[C@@H](CC)N(Cc1cc(Br)ccc1O)C1CC1 ZINC000787440378 725028362 /nfs/dbraw/zinc/02/83/62/725028362.db2.gz LUUKWDTVOISFAX-CQSZACIVSA-N 0 0 356.260 3.461 20 10 FGCDRN CO[C@@]1(C)C[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1(C)C ZINC000805166747 725054082 /nfs/dbraw/zinc/05/40/82/725054082.db2.gz RBKKHIYKSJITIP-CJNGLKHVSA-N 0 0 371.275 3.158 20 10 FGCDRN CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805183884 725055140 /nfs/dbraw/zinc/05/51/40/725055140.db2.gz MMHIFPPPVXVHLM-LLVKDONJSA-N 0 0 360.285 3.230 20 10 FGCDRN O=C(NCCC[C@@H]1CCCCO1)NCc1cc(Br)ccc1O ZINC000805282616 725061674 /nfs/dbraw/zinc/06/16/74/725061674.db2.gz RGXWHJYWQWSVIT-AWEZNQCLSA-N 0 0 371.275 3.303 20 10 FGCDRN COc1ccc(O)c(CNC(=O)NCc2cc(F)c(Cl)cc2F)c1 ZINC000789013219 725102681 /nfs/dbraw/zinc/10/26/81/725102681.db2.gz NGYKQRXMOCFIRD-UHFFFAOYSA-N 0 0 356.756 3.332 20 10 FGCDRN CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1cccc(Cl)c1[O-] ZINC000806147744 725118233 /nfs/dbraw/zinc/11/82/33/725118233.db2.gz LXZIKGGTQYSVFH-KGLIPLIRSA-N 0 0 360.907 3.228 20 10 FGCDRN O=C(NCc1cc(Br)ccc1O)Nc1ccc2c(c1)CCO2 ZINC000806195675 725120231 /nfs/dbraw/zinc/12/02/31/725120231.db2.gz GOOJNAMNVBBTJV-UHFFFAOYSA-N 0 0 363.211 3.411 20 10 FGCDRN CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000806663324 725139912 /nfs/dbraw/zinc/13/99/12/725139912.db2.gz OUKCAGLBJMTSSM-UFBFGSQYSA-N 0 0 351.299 3.217 20 10 FGCDRN CCc1cc(NC(=O)C(=O)NCCCSc2nccs2)ccc1F ZINC000806931561 725149130 /nfs/dbraw/zinc/14/91/30/725149130.db2.gz ZXZQAFZCUDHZFU-UHFFFAOYSA-N 0 0 367.471 3.082 20 10 FGCDRN CCOC(=O)CC[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807037682 725151632 /nfs/dbraw/zinc/15/16/32/725151632.db2.gz ZQHDHGWTWZOCLV-SECBINFHSA-N 0 0 363.241 3.230 20 10 FGCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000807669748 725165591 /nfs/dbraw/zinc/16/55/91/725165591.db2.gz QZVUVOAKZIEUBO-ZDUSSCGKSA-N 0 0 363.439 3.098 20 10 FGCDRN CC(C)(C)c1ncc(C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000807738340 725167777 /nfs/dbraw/zinc/16/77/77/725167777.db2.gz DOJGNDWDTSPAOR-UHFFFAOYSA-N 0 0 364.243 3.172 20 10 FGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cc(Cl)ccc1OC ZINC000808094723 725183207 /nfs/dbraw/zinc/18/32/07/725183207.db2.gz YTEVYXKCHDTGAK-UHFFFAOYSA-N 0 0 354.830 3.399 20 10 FGCDRN O=C(NCc1cc(Br)ccc1O)N[C@H](C1CC1)C(F)(F)F ZINC000808343528 725195737 /nfs/dbraw/zinc/19/57/37/725195737.db2.gz FXXKOMZUFLCWBK-LLVKDONJSA-N 0 0 367.165 3.295 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(C(F)(F)F)c1 ZINC000808469242 725202759 /nfs/dbraw/zinc/20/27/59/725202759.db2.gz CCWXAMDKARMVSB-UHFFFAOYSA-N 0 0 351.328 3.206 20 10 FGCDRN CC(=O)C(=O)COC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000808524879 725205005 /nfs/dbraw/zinc/20/50/05/725205005.db2.gz KHDXHCREGGVQRT-JTQLQIEISA-N 0 0 351.811 3.070 20 10 FGCDRN CN(C)S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000808564690 725207281 /nfs/dbraw/zinc/20/72/81/725207281.db2.gz BQYBYCUDHXCWKJ-UHFFFAOYSA-N 0 0 373.261 3.443 20 10 FGCDRN CN(C)Cc1cnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000809538507 725245747 /nfs/dbraw/zinc/24/57/47/725245747.db2.gz OEBRCXRKKMSTEO-INIZCTEOSA-N 0 0 361.511 3.092 20 10 FGCDRN Cc1ccc(NCc2cc(Cl)cc(F)c2O)cc1S(=O)(=O)N(C)C ZINC000809681758 725258221 /nfs/dbraw/zinc/25/82/21/725258221.db2.gz ZUZXDNNLKJFJMC-UHFFFAOYSA-N 0 0 372.849 3.356 20 10 FGCDRN CCOC(=O)c1cc(NCc2cccc(Br)c2O)cn1C ZINC000809755152 725265478 /nfs/dbraw/zinc/26/54/78/725265478.db2.gz GCSWLHGUIGIIDU-UHFFFAOYSA-N 0 0 353.216 3.282 20 10 FGCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000809764717 725266323 /nfs/dbraw/zinc/26/63/23/725266323.db2.gz HDYUPVVMUNJHDD-HKUYNNGSSA-N 0 0 360.885 3.018 20 10 FGCDRN COC(C)(C)CS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000809818848 725270767 /nfs/dbraw/zinc/27/07/67/725270767.db2.gz QIGDIJGXAAYILC-UHFFFAOYSA-N 0 0 355.500 3.282 20 10 FGCDRN Cc1cc(C(F)(F)F)nn1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000810687679 725322777 /nfs/dbraw/zinc/32/27/77/725322777.db2.gz VHNVTGHNSNBZQH-GFCCVEGCSA-N 0 0 354.376 3.154 20 10 FGCDRN CCOCc1nc([C@H](C)NCc2cc(C)cc(Br)c2O)no1 ZINC000811516433 725372181 /nfs/dbraw/zinc/37/21/81/725372181.db2.gz UJCRBOYYLYDXBC-JTQLQIEISA-N 0 0 370.247 3.233 20 10 FGCDRN CC[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1[O-])OC ZINC000811518377 725372262 /nfs/dbraw/zinc/37/22/62/725372262.db2.gz MDZZEFRJCOABPF-SNVBAGLBSA-N 0 0 367.081 3.432 20 10 FGCDRN CCc1nnc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000812598910 725400794 /nfs/dbraw/zinc/40/07/94/725400794.db2.gz YLGHFSQHHKAKTJ-UHFFFAOYSA-N 0 0 359.499 3.041 20 10 FGCDRN O=C1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CN1c1ccccc1F ZINC000812782113 726811109 /nfs/dbraw/zinc/81/11/09/726811109.db2.gz MOPRJAYCMFLIMJ-GFCCVEGCSA-N 0 0 352.768 3.219 20 10 FGCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000813561604 726893429 /nfs/dbraw/zinc/89/34/29/726893429.db2.gz ZOYKVYKIIQCAAU-AWEZNQCLSA-N 0 0 359.392 3.004 20 10 FGCDRN COC(=O)/C=C\c1ccc(N2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000813638865 726900604 /nfs/dbraw/zinc/90/06/04/726900604.db2.gz VEQUAYCPDJAIKJ-QPBFKRLHSA-N 0 0 350.440 3.360 20 10 FGCDRN C[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683838 726905003 /nfs/dbraw/zinc/90/50/03/726905003.db2.gz DWLZFMREPSXGJM-SNVBAGLBSA-N 0 0 373.280 3.400 20 10 FGCDRN Cc1cc(C(=O)NCC(C)(C)OCCO)c(C)n1-c1ccc(Cl)cc1 ZINC000813844407 726918474 /nfs/dbraw/zinc/91/84/74/726918474.db2.gz UYHQBCUIBRGRDG-UHFFFAOYSA-N 0 0 364.873 3.265 20 10 FGCDRN COC(=O)CCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S ZINC000814268435 726951671 /nfs/dbraw/zinc/95/16/71/726951671.db2.gz DCUGMKGZBDNSKT-WQLSENKSSA-N 0 0 371.867 3.200 20 10 FGCDRN CN(c1cccc2ncccc21)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814388292 726961110 /nfs/dbraw/zinc/96/11/10/726961110.db2.gz DFLXMQQKSUYJOE-UHFFFAOYSA-N 0 0 374.809 3.250 20 10 FGCDRN CCN(Cc1nn(C)cc1Br)c1ccc(OC)c(OC)c1 ZINC000814625578 726988260 /nfs/dbraw/zinc/98/82/60/726988260.db2.gz KLCINOOJGSDCMQ-UHFFFAOYSA-N 0 0 354.248 3.226 20 10 FGCDRN C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)(F)F ZINC000815062790 727029683 /nfs/dbraw/zinc/02/96/83/727029683.db2.gz PWFNZFYQSUZVOO-XQQFMLRXSA-N 0 0 358.404 3.347 20 10 FGCDRN CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815553811 727083661 /nfs/dbraw/zinc/08/36/61/727083661.db2.gz KSUWHJYJBMVFTP-UONOGXRCSA-N 0 0 360.420 3.418 20 10 FGCDRN C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815568048 727084217 /nfs/dbraw/zinc/08/42/17/727084217.db2.gz TWRGSUBOENKPFZ-LBPRGKRZSA-N 0 0 352.356 3.378 20 10 FGCDRN CSCC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(=O)N(C)C ZINC000815627022 727087398 /nfs/dbraw/zinc/08/73/98/727087398.db2.gz QZLNGZBUEUGGNH-GWCFXTLKSA-N 0 0 364.433 3.272 20 10 FGCDRN Cc1nccnc1CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000815651643 727089193 /nfs/dbraw/zinc/08/91/93/727089193.db2.gz ZBSGJGCTGLOALJ-SECBINFHSA-N 0 0 354.223 3.286 20 10 FGCDRN COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816530745 727172152 /nfs/dbraw/zinc/17/21/52/727172152.db2.gz SYTYCPIWROPJRQ-INIZCTEOSA-N 0 0 355.793 3.025 20 10 FGCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000816656824 727185984 /nfs/dbraw/zinc/18/59/84/727185984.db2.gz DQAOSUKNTDEFCY-MRXNPFEDSA-N 0 0 360.281 3.356 20 10 FGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CC12CCSCC2 ZINC000817162037 727226090 /nfs/dbraw/zinc/22/60/90/727226090.db2.gz PUVCWPFEKNSCFX-KRWDZBQOSA-N 0 0 357.523 3.395 20 10 FGCDRN CCO[C@@H](CCNC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C ZINC000817959563 727289587 /nfs/dbraw/zinc/28/95/87/727289587.db2.gz TVKKTEHHELWQKL-KRWDZBQOSA-N 0 0 361.511 3.497 20 10 FGCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]43)cs2)cc1 ZINC000817963880 727289711 /nfs/dbraw/zinc/28/97/11/727289711.db2.gz WZLLKQGZZDTBMV-BFYDXBDKSA-N 0 0 357.479 3.004 20 10 FGCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000818091916 727295611 /nfs/dbraw/zinc/29/56/11/727295611.db2.gz OZPKFPFXTDIGRE-ZDUSSCGKSA-N 0 0 360.845 3.392 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)c1 ZINC000821065676 729054377 /nfs/dbraw/zinc/05/43/77/729054377.db2.gz QPXAXDRRSBUYDC-QMMMGPOBSA-N 0 0 356.300 3.011 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(Br)nn1C ZINC000821467408 729090195 /nfs/dbraw/zinc/09/01/95/729090195.db2.gz YJWKSLCZZQJIDS-UHFFFAOYSA-N 0 0 367.247 3.332 20 10 FGCDRN CC[C@H](Nc1cccnc1Cl)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000821806734 729118302 /nfs/dbraw/zinc/11/83/02/729118302.db2.gz GOIJFJXXLJAVDK-YPMHNXCESA-N 0 0 363.845 3.084 20 10 FGCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3ccc(C)s3)C2)cc1 ZINC000822634209 729203665 /nfs/dbraw/zinc/20/36/65/729203665.db2.gz GDFNPRFUNZPJAC-OAHLLOKOSA-N 0 0 359.495 3.391 20 10 FGCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)Cc3cccs3)C2)cc1 ZINC000823719712 729301004 /nfs/dbraw/zinc/30/10/04/729301004.db2.gz SOPWUJKEWKDYOW-HNNXBMFYSA-N 0 0 359.495 3.425 20 10 FGCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@@H]3CSC)C2)cc1 ZINC000823725902 729301284 /nfs/dbraw/zinc/30/12/84/729301284.db2.gz KEDDXVPLIFIIOY-DOTOQJQBSA-N 0 0 363.527 3.059 20 10 FGCDRN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)/C=C/c1cccnc1C ZINC000823831957 729307491 /nfs/dbraw/zinc/30/74/91/729307491.db2.gz PEGDNWFOHKODRY-GJBLVYBDSA-N 0 0 350.344 3.448 20 10 FGCDRN COc1ccc(N(C)C[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000824162508 729322264 /nfs/dbraw/zinc/32/22/64/729322264.db2.gz UTGUYLDPHNJIBS-AWEZNQCLSA-N 0 0 363.479 3.347 20 10 FGCDRN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824494729 729343183 /nfs/dbraw/zinc/34/31/83/729343183.db2.gz MOZMHXOEGDRUKT-IMRBUKKESA-N 0 0 356.825 3.140 20 10 FGCDRN CC[C@@H](CSC)N(C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824688466 729355285 /nfs/dbraw/zinc/35/52/85/729355285.db2.gz XCSQXAGVOYPAHK-CVEARBPZSA-N 0 0 365.543 3.305 20 10 FGCDRN COc1ccc(O)c(CNC(=O)Nc2cnc(C(F)(F)F)c(C)c2)c1 ZINC000825418593 729382709 /nfs/dbraw/zinc/38/27/09/729382709.db2.gz ZHJBVILPFXTHHB-UHFFFAOYSA-N 0 0 355.316 3.445 20 10 FGCDRN COc1cc(N(C)Cc2c(C(F)(F)F)cnn2C)cc(OC)c1OC ZINC000825468306 729384364 /nfs/dbraw/zinc/38/43/64/729384364.db2.gz JOTGWKTZIPHASG-UHFFFAOYSA-N 0 0 359.348 3.101 20 10 FGCDRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000825481927 729384886 /nfs/dbraw/zinc/38/48/86/729384886.db2.gz YKTHNAFHDAZWLY-CQSZACIVSA-N 0 0 350.459 3.386 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\[C@@H]1CCOC1 ZINC000827084819 729423790 /nfs/dbraw/zinc/42/37/90/729423790.db2.gz DDUWVTSGFPQBRR-GCLPIYDQSA-N 0 0 354.244 3.096 20 10 FGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377528 729429584 /nfs/dbraw/zinc/42/95/84/729429584.db2.gz ZXJSGMMASBVXOW-BBRMVZONSA-N 0 0 350.415 3.090 20 10 FGCDRN CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1O)S(=O)(=O)C1CCCCC1 ZINC000827930343 729437328 /nfs/dbraw/zinc/43/73/28/729437328.db2.gz HHQJVLJBOFUUGD-RDTXWAMCSA-N 0 0 367.511 3.342 20 10 FGCDRN Cc1cc(C(=O)CN2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccc(Cl)cn1 ZINC000827950213 729437708 /nfs/dbraw/zinc/43/77/08/729437708.db2.gz UKGGYNFJJXABFT-IYBDPMFKSA-N 0 0 359.857 3.188 20 10 FGCDRN CC(C)n1ncc(C(=O)N[C@@H](C)c2ccccc2O)c1Br ZINC000827985788 729438073 /nfs/dbraw/zinc/43/80/73/729438073.db2.gz MOENVYKHRFBQKY-JTQLQIEISA-N 0 0 352.232 3.423 20 10 FGCDRN C[C@H]1C[C@@H]1c1nnc2ccc(NCc3cccc(Br)c3O)nn21 ZINC000828032467 729438876 /nfs/dbraw/zinc/43/88/76/729438876.db2.gz WGNNTBXNCPRUJD-ONGXEEELSA-N 0 0 374.242 3.328 20 10 FGCDRN CCN(C(C)=O)c1nc(CSc2ncc(C(=O)OC)s2)cs1 ZINC000829692437 729503653 /nfs/dbraw/zinc/50/36/53/729503653.db2.gz MEHYOWVIZOUGDI-UHFFFAOYSA-N 0 0 357.482 3.051 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000830141476 729539363 /nfs/dbraw/zinc/53/93/63/729539363.db2.gz VDAJDOHXWWPYKA-AWEZNQCLSA-N 0 0 350.459 3.386 20 10 FGCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@H]2CCCCC2(F)F)c1 ZINC000830623313 729576795 /nfs/dbraw/zinc/57/67/95/729576795.db2.gz JZICLFYYQZIWKQ-NWDGAFQWSA-N 0 0 363.426 3.207 20 10 FGCDRN c1nc(NCc2ccc(N3CCOCC3)cc2)sc1C1CCOCC1 ZINC000834478848 729806901 /nfs/dbraw/zinc/80/69/01/729806901.db2.gz ZOYCXGMPGACNEW-UHFFFAOYSA-N 0 0 359.495 3.486 20 10 FGCDRN C[C@H](NCc1nnc(C2CC2)[nH]1)c1ccc(N2CCOCC2)cc1Cl ZINC000834871347 729840092 /nfs/dbraw/zinc/84/00/92/729840092.db2.gz NNQAHHMYFFGALH-LBPRGKRZSA-N 0 0 361.877 3.023 20 10 FGCDRN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000834878617 729841595 /nfs/dbraw/zinc/84/15/95/729841595.db2.gz LGVQDEWJUXDYAJ-ZWNOBZJWSA-N 0 0 369.314 3.068 20 10 FGCDRN COc1ccc(NS(C)(=O)=O)cc1N[C@H](C)c1cc(F)cc(F)c1O ZINC000834886756 729842723 /nfs/dbraw/zinc/84/27/23/729842723.db2.gz BGHNAIQIMIKEBU-SECBINFHSA-N 0 0 372.393 3.224 20 10 FGCDRN COc1ccc(NS(C)(=O)=O)cc1N[C@@H](C)c1ccc(C)cc1O ZINC000834888741 729843362 /nfs/dbraw/zinc/84/33/62/729843362.db2.gz PIVMXBFOQYFARV-LBPRGKRZSA-N 0 0 350.440 3.254 20 10 FGCDRN COc1cccnc1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834906312 729845278 /nfs/dbraw/zinc/84/52/78/729845278.db2.gz OVWSTTWEIXRNNV-CQSZACIVSA-N 0 0 361.873 3.431 20 10 FGCDRN CC[C@H](COCC(F)(F)F)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836406529 729954553 /nfs/dbraw/zinc/95/45/53/729954553.db2.gz UMQQJRWYPLPUMD-GXTWGEPZSA-N 0 0 361.408 3.470 20 10 FGCDRN CC[C@@H](COCC(F)(F)F)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836406531 729954648 /nfs/dbraw/zinc/95/46/48/729954648.db2.gz UMQQJRWYPLPUMD-OCCSQVGLSA-N 0 0 361.408 3.470 20 10 FGCDRN C[C@H](F)CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000836479825 729957149 /nfs/dbraw/zinc/95/71/49/729957149.db2.gz CSLBIFVOUNKVCO-QWHCGFSZSA-N 0 0 359.392 3.304 20 10 FGCDRN CN1CCCc2cc(CNC(=O)NCc3cc(F)cnc3Cl)ccc21 ZINC000836517822 729958892 /nfs/dbraw/zinc/95/88/92/729958892.db2.gz MZGAZFSYWFXEGW-UHFFFAOYSA-N 0 0 362.836 3.256 20 10 FGCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(OC(F)F)cn1 ZINC000836658401 729964068 /nfs/dbraw/zinc/96/40/68/729964068.db2.gz PQJCLMYBPMADIB-UHFFFAOYSA-N 0 0 350.369 3.379 20 10 FGCDRN CC1(C)C[C@@H](CNC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000836677949 729964906 /nfs/dbraw/zinc/96/49/06/729964906.db2.gz YFGCDWWOKBJURL-NSHDSACASA-N 0 0 371.275 3.159 20 10 FGCDRN Cc1cc(C(=O)COC(=O)CC(C)(F)F)c(C)n1-c1ccc(F)cn1 ZINC000837668063 730052525 /nfs/dbraw/zinc/05/25/25/730052525.db2.gz MTLXZLKHBDOIGO-UHFFFAOYSA-N 0 0 354.328 3.399 20 10 FGCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1(F)CCCCC1 ZINC000837713183 730056704 /nfs/dbraw/zinc/05/67/04/730056704.db2.gz ALAIWPJMYRPVOC-UHFFFAOYSA-N 0 0 356.388 3.090 20 10 FGCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@H](F)C1 ZINC000838192317 730098490 /nfs/dbraw/zinc/09/84/90/730098490.db2.gz OEALYIFFQZSRGK-LBPRGKRZSA-N 0 0 357.376 3.010 20 10 FGCDRN Cc1cc(C(=O)NC2(C(=O)N(C)C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000840505723 730149586 /nfs/dbraw/zinc/14/95/86/730149586.db2.gz OVZPEBTVGGPCLH-UHFFFAOYSA-N 0 0 359.857 3.098 20 10 FGCDRN C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000840881911 730187914 /nfs/dbraw/zinc/18/79/14/730187914.db2.gz LECXBFJWSGJEOL-QFYYESIMSA-N 0 0 350.340 3.266 20 10 FGCDRN C[C@@H](CC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000840995371 730201884 /nfs/dbraw/zinc/20/18/84/730201884.db2.gz LDNQJOGOODIFRB-LBPRGKRZSA-N 0 0 355.276 3.392 20 10 FGCDRN CN1CCCc2cc(CNS(=O)(=O)[C@@H]3C[C@H]3c3ccccc3)ccc21 ZINC000841480575 730247596 /nfs/dbraw/zinc/24/75/96/730247596.db2.gz NFJIMTULBSWVLB-AZUAARDMSA-N 0 0 356.491 3.045 20 10 FGCDRN O=C1/C(=C/c2ccc(C3CC3)cc2)SC(=S)N1CCN1CCOCC1 ZINC000841497846 730249117 /nfs/dbraw/zinc/24/91/17/730249117.db2.gz ZDHBNEBDADHBOK-LGMDPLHJSA-N 0 0 374.531 3.097 20 10 FGCDRN CN(C)[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1Cl ZINC000841641527 730261126 /nfs/dbraw/zinc/26/11/26/730261126.db2.gz WSJFYUQOYGQDOS-GOSISDBHSA-N 0 0 360.889 3.067 20 10 FGCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 ZINC000841872123 730281987 /nfs/dbraw/zinc/28/19/87/730281987.db2.gz YFYKGMOOEWZEAZ-QGZVFWFLSA-N 0 0 358.873 3.043 20 10 FGCDRN Nc1ccc(CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 ZINC000841887942 730282606 /nfs/dbraw/zinc/28/26/06/730282606.db2.gz AKLTUTONGNUWMR-DLBZAZTESA-N 0 0 374.282 3.429 20 10 FGCDRN COc1cc(CN(C)C(=O)NCCc2ccc(N)cc2)ccc1SC ZINC000841957629 730285829 /nfs/dbraw/zinc/28/58/29/730285829.db2.gz TZWZVETZLWZZGX-UHFFFAOYSA-N 0 0 359.495 3.383 20 10 FGCDRN Cc1cc(C)c(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cn1 ZINC000842258556 730478808 /nfs/dbraw/zinc/47/88/08/730478808.db2.gz WSAPDODZPGBWPW-UHFFFAOYSA-N 0 0 359.813 3.022 20 10 FGCDRN CCc1nc(CC(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000842877378 730553273 /nfs/dbraw/zinc/55/32/73/730553273.db2.gz CDVIPGHHKPTYBC-CQSZACIVSA-N 0 0 360.479 3.326 20 10 FGCDRN Cc1ccc(-c2nn(C)cc2/C=C2/SC(N3CCCCC3)=NC2=O)o1 ZINC000843264365 730601108 /nfs/dbraw/zinc/60/11/08/730601108.db2.gz NTHJVAXZIPKFSA-XNTDXEJSSA-N 0 0 356.451 3.445 20 10 FGCDRN CC(C)(C)OC(=O)CC[N@H+](Cc1cc(F)ccc1O)C1CCOCC1 ZINC000843413023 730617117 /nfs/dbraw/zinc/61/71/17/730617117.db2.gz DGEOAHCDRNWGMU-UHFFFAOYSA-N 0 0 353.434 3.244 20 10 FGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(=O)NCc1cccs1 ZINC000843426225 730619424 /nfs/dbraw/zinc/61/94/24/730619424.db2.gz LVSPHAXKCSIAKL-CQSZACIVSA-N 0 0 356.850 3.431 20 10 FGCDRN O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843429252 730620218 /nfs/dbraw/zinc/62/02/18/730620218.db2.gz UFPHQWFKTBTSSJ-CQSZACIVSA-N 0 0 362.832 3.323 20 10 FGCDRN CSc1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000843835733 730658899 /nfs/dbraw/zinc/65/88/99/730658899.db2.gz KSBGSXZDQSPELJ-HNNXBMFYSA-N 0 0 358.463 3.331 20 10 FGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1nscc1Br ZINC000844394757 730711979 /nfs/dbraw/zinc/71/19/79/730711979.db2.gz ATYFGBAWGVOAIN-UHFFFAOYSA-N 0 0 354.273 3.210 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccnc(C)c2Cl)cc1 ZINC000844611053 730741296 /nfs/dbraw/zinc/74/12/96/730741296.db2.gz FPNOPUXCZZMRBA-UHFFFAOYSA-N 0 0 362.861 3.074 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccc(SC)cn2)cc1 ZINC000844615441 730741687 /nfs/dbraw/zinc/74/16/87/730741687.db2.gz RTKPBJIPZLNDBL-UHFFFAOYSA-N 0 0 360.483 3.412 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)CCC(=O)c2cccs2)cc1 ZINC000844852922 730780318 /nfs/dbraw/zinc/78/03/18/730780318.db2.gz XGIDLYLYSIRRKA-UHFFFAOYSA-N 0 0 360.479 3.314 20 10 FGCDRN C[C@H](O)[C@@H](NC(=O)NCCCSc1nccs1)c1ccccc1F ZINC000845046602 730805258 /nfs/dbraw/zinc/80/52/58/730805258.db2.gz PPKFVOIFFGHJCZ-SMDDNHRTSA-N 0 0 369.487 3.186 20 10 FGCDRN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845095420 730809689 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3.392 20 10 FGCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1c1ccc(F)cc1 ZINC000823504997 599380578 /nfs/dbraw/zinc/38/05/78/599380578.db2.gz WSMHTJNUGYTYFE-GHXNOFRVSA-N 0 0 373.394 3.005 20 10 FGCDRN COC(=O)c1cc2ccccc2c(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1O ZINC000737676263 599935995 /nfs/dbraw/zinc/93/59/95/599935995.db2.gz DJZKREJVGJRDBO-LBPRGKRZSA-N 0 0 357.406 3.017 20 10 FGCDRN O=C([O-])c1cccc(OCC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000740227085 600143793 /nfs/dbraw/zinc/14/37/93/600143793.db2.gz MKTRWKOJNUIGDE-LJQANCHMSA-N 0 0 371.433 3.150 20 10 FGCDRN O=C([O-])/C=C\c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000739622831 600365917 /nfs/dbraw/zinc/36/59/17/600365917.db2.gz CNMQSSAXCQBCJW-CLFYSBASSA-N 0 0 359.426 3.147 20 10 FGCDRN COc1cc(O)c(C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1OC ZINC000833730067 604544583 /nfs/dbraw/zinc/54/45/83/604544583.db2.gz UDAQVTANXGZCQH-AWEZNQCLSA-N 0 0 359.422 3.132 20 10 FGCDRN CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000829497218 604769942 /nfs/dbraw/zinc/76/99/42/604769942.db2.gz ZFMRNAXJNXEFLM-HNNXBMFYSA-N 0 0 370.449 3.007 20 10 FGCDRN CCc1oc(C(=O)[O-])cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000833680043 605120760 /nfs/dbraw/zinc/12/07/60/605120760.db2.gz BRCSJVYHJHZQHY-CQSZACIVSA-N 0 0 358.438 3.228 20 10 FGCDRN CCOc1ccc(C[C@@H](C[NH2+]Cc2cc(C)c(C)cc2O)C(=O)[O-])cc1 ZINC000833664433 605519779 /nfs/dbraw/zinc/51/97/79/605519779.db2.gz RXSOWFOGLKULNO-SFHVURJKSA-N 0 0 357.450 3.441 20 10 FGCDRN O=C1C(=Cc2cc(-c3nn[nH]n3)cs2)SC(=S)N1c1ccccc1 ZINC000823503091 606304836 /nfs/dbraw/zinc/30/48/36/606304836.db2.gz AYIURQKMQRHZEI-KPKJPENVSA-N 0 0 371.472 3.334 20 10 FGCDRN COc1ccc(N(CC(C)C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821827477 606923091 /nfs/dbraw/zinc/92/30/91/606923091.db2.gz CJAJXMDVSOGICV-IBGZPJMESA-N 0 0 367.453 3.071 20 10 FGCDRN CN(c1ccc(CNc2ccc(-c3nn[nH]n3)nn2)cc1)C1CCCCC1 ZINC000826004378 608405461 /nfs/dbraw/zinc/40/54/61/608405461.db2.gz VJCVAHLRRXMZIA-UHFFFAOYSA-N 0 0 364.457 3.038 20 10 FGCDRN O=C(COc1ccc(Cl)cc1Cl)NCCc1ccc(O)c(O)c1 ZINC000012029163 695604364 /nfs/dbraw/zinc/60/43/64/695604364.db2.gz BTICUADXGWOMQR-UHFFFAOYSA-N 0 0 356.205 3.142 20 10 FGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(F)cc1F ZINC000021871261 695649045 /nfs/dbraw/zinc/64/90/45/695649045.db2.gz IIHPXHZFGYGYDW-UHFFFAOYSA-N 0 0 354.422 3.242 20 10 FGCDRN COc1cc(Br)cc([C@H]2NC(=O)c3cccc(C)c3N2)c1O ZINC000027577788 695694914 /nfs/dbraw/zinc/69/49/14/695694914.db2.gz VNDBVYKSJSXQPQ-OAHLLOKOSA-N 0 0 363.211 3.326 20 10 FGCDRN CCCCCNC(=O)[C@@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000028776115 695705834 /nfs/dbraw/zinc/70/58/34/695705834.db2.gz VGQCQBGQKYLSCM-GFCCVEGCSA-N 0 0 363.483 3.347 20 10 FGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1csc2c1CCCC2 ZINC000054285291 695938994 /nfs/dbraw/zinc/93/89/94/695938994.db2.gz OTRMUPMEBSWOLP-UHFFFAOYSA-N 0 0 356.491 3.394 20 10 FGCDRN Cn1cc(C(=O)NCCCSc2nccs2)c(-c2ccccc2)n1 ZINC000089242340 700384249 /nfs/dbraw/zinc/38/42/49/700384249.db2.gz ITXAXMNRUYRJDX-UHFFFAOYSA-N 0 0 358.492 3.456 20 10 FGCDRN CC(C)CCN(CCC(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000093928150 700456712 /nfs/dbraw/zinc/45/67/12/700456712.db2.gz SEPJTAGUKQZYBS-UHFFFAOYSA-N 0 0 370.515 3.298 20 10 FGCDRN COc1ccc(N2CCC(NC(=O)c3ccnc(SC)c3)CC2)cc1 ZINC000102382319 700475151 /nfs/dbraw/zinc/47/51/51/700475151.db2.gz QASFIMVOZQQTGE-UHFFFAOYSA-N 0 0 357.479 3.211 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000103567163 700487234 /nfs/dbraw/zinc/48/72/34/700487234.db2.gz QCHUMRIKWKQRQV-JTQLQIEISA-N 0 0 350.444 3.334 20 10 FGCDRN CC(C)(C)c1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000109036715 700529262 /nfs/dbraw/zinc/52/92/62/700529262.db2.gz FNKNPMDXTUFPPZ-UHFFFAOYSA-N 0 0 359.495 3.207 20 10 FGCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000112872091 700565228 /nfs/dbraw/zinc/56/52/28/700565228.db2.gz QJQZYQXQJYOOCS-APWZRJJASA-N 0 0 362.539 3.451 20 10 FGCDRN COc1ccc(C(=O)CCC(=O)NCCCSc2nccs2)cc1 ZINC000114375094 700577635 /nfs/dbraw/zinc/57/76/35/700577635.db2.gz NFGGTOVBPDXMKB-UHFFFAOYSA-N 0 0 364.492 3.413 20 10 FGCDRN COc1ccc(O)c(CNC(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000114512526 700578505 /nfs/dbraw/zinc/57/85/05/700578505.db2.gz SQVOAJSKKKLHMG-UHFFFAOYSA-N 0 0 356.407 3.241 20 10 FGCDRN CC1CCN(c2ccc(CNC(=O)NCCc3cscn3)cc2)CC1 ZINC000119857605 700641091 /nfs/dbraw/zinc/64/10/91/700641091.db2.gz WOTURPVPGMAIOO-UHFFFAOYSA-N 0 0 358.511 3.421 20 10 FGCDRN CN(CC(=O)N(C)c1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000121233936 700668550 /nfs/dbraw/zinc/66/85/50/700668550.db2.gz CFUULJKRSOMQRH-UHFFFAOYSA-N 0 0 355.419 3.124 20 10 FGCDRN CN(CC(=O)Nc1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000121405424 700671899 /nfs/dbraw/zinc/67/18/99/700671899.db2.gz GNAMNNLSMDROIF-UHFFFAOYSA-N 0 0 363.211 3.253 20 10 FGCDRN CC[C@H]1c2ccsc2CCN1C(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121416816 700672257 /nfs/dbraw/zinc/67/22/57/700672257.db2.gz GSMUKLVYVPNLFU-HNNXBMFYSA-N 0 0 358.463 3.449 20 10 FGCDRN COc1ccc(N(C)CC(=O)NCc2cc(Cl)ccc2OC)cc1F ZINC000121803580 700680375 /nfs/dbraw/zinc/68/03/75/700680375.db2.gz ZSZOCBKEXWVKRK-UHFFFAOYSA-N 0 0 366.820 3.249 20 10 FGCDRN COc1ccc(OC)c(NC(=O)CN(C)c2ccc(OC)c(Cl)c2)c1 ZINC000121866160 700681388 /nfs/dbraw/zinc/68/13/88/700681388.db2.gz AFPASYJUVISXOF-UHFFFAOYSA-N 0 0 364.829 3.441 20 10 FGCDRN COc1ccc(N(C)CC(=O)N2CCc3sccc3C2)cc1Cl ZINC000121943252 700682958 /nfs/dbraw/zinc/68/29/58/700682958.db2.gz RHDJIVFHUFZDDV-UHFFFAOYSA-N 0 0 350.871 3.431 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCOc2ccccc2Cl)c1 ZINC000122611172 700692785 /nfs/dbraw/zinc/69/27/85/700692785.db2.gz SDSHAMFKRCHKRF-LBPRGKRZSA-N 0 0 364.829 3.493 20 10 FGCDRN COc1cccc(CNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)c1O ZINC000122620803 700693102 /nfs/dbraw/zinc/69/31/02/700693102.db2.gz IINOKIIHINGOLZ-HNNXBMFYSA-N 0 0 356.205 3.057 20 10 FGCDRN CC(C)c1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000129625486 700790087 /nfs/dbraw/zinc/79/00/87/700790087.db2.gz RTCCBOZLXVFVON-UHFFFAOYSA-N 0 0 363.458 3.172 20 10 FGCDRN Cc1nc(NC(=O)[C@@H](C)N2CCOc3cc(N(C)C)ccc32)sc1C ZINC000130413805 700801618 /nfs/dbraw/zinc/80/16/18/700801618.db2.gz FORLOTHXSVTVBY-GFCCVEGCSA-N 0 0 360.483 3.052 20 10 FGCDRN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCOc2cc(N(C)C)ccc21 ZINC000130462957 700802022 /nfs/dbraw/zinc/80/20/22/700802022.db2.gz JXSXZSNNOSZQLY-LBPRGKRZSA-N 0 0 360.845 3.027 20 10 FGCDRN CCCSCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000130754969 700806042 /nfs/dbraw/zinc/80/60/42/700806042.db2.gz LEMFNFHUWAUJPM-SFHVURJKSA-N 0 0 350.528 3.403 20 10 FGCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCc4c(Cl)cccc4C3)cc2N1 ZINC000130864493 700807136 /nfs/dbraw/zinc/80/71/36/700807136.db2.gz OCIWQFZKPNXULR-UHFFFAOYSA-N 0 0 359.769 3.142 20 10 FGCDRN COc1cccc(CNC(=O)c2c(F)cc(Br)cc2F)c1O ZINC000130926196 700808103 /nfs/dbraw/zinc/80/81/03/700808103.db2.gz WPLIYWIMTPHSOT-UHFFFAOYSA-N 0 0 372.165 3.372 20 10 FGCDRN CCCNC(=O)c1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000133472661 700838321 /nfs/dbraw/zinc/83/83/21/700838321.db2.gz ARUGWHWUDTYIGQ-UHFFFAOYSA-N 0 0 363.508 3.195 20 10 FGCDRN COc1ccc(O)c(CNC(=O)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000133598144 700839815 /nfs/dbraw/zinc/83/98/15/700839815.db2.gz PDSFPAINOVUQQE-UHFFFAOYSA-N 0 0 355.312 3.158 20 10 FGCDRN O=C(NCCCSc1nccs1)Nc1cccc(OCC(F)F)n1 ZINC000133728710 700841030 /nfs/dbraw/zinc/84/10/30/700841030.db2.gz FOBZQLDVGSFFNR-UHFFFAOYSA-N 0 0 374.438 3.486 20 10 FGCDRN CCCOc1ncccc1CNC(=O)NCCCSc1nccs1 ZINC000152803351 704974090 /nfs/dbraw/zinc/97/40/90/704974090.db2.gz ZFHRFDNYMZMGOO-UHFFFAOYSA-N 0 0 366.512 3.309 20 10 FGCDRN CN(Cc1ccccc1O)C(=O)CN[C@@H](c1ccccc1)C(F)(F)F ZINC000157319107 705150832 /nfs/dbraw/zinc/15/08/32/705150832.db2.gz DDZDBSOTTNNVHK-KRWDZBQOSA-N 0 0 352.356 3.244 20 10 FGCDRN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000158618594 705192882 /nfs/dbraw/zinc/19/28/82/705192882.db2.gz IDKGCPZDBVERJU-KBPBESRZSA-N 0 0 351.443 3.353 20 10 FGCDRN Cc1cccc(S(=O)(=O)N(C)Cc2ccccc2O)c1Br ZINC000159641034 705230124 /nfs/dbraw/zinc/23/01/24/705230124.db2.gz CEYLONYYEWJXBV-UHFFFAOYSA-N 0 0 370.268 3.284 20 10 FGCDRN O=C(NCCCSc1nccs1)c1cc2c([nH]c1=O)CCCCC2 ZINC000160029046 705241777 /nfs/dbraw/zinc/24/17/77/705241777.db2.gz WWHDBUKBNFNAKB-UHFFFAOYSA-N 0 0 363.508 3.013 20 10 FGCDRN CC(C)=CCSc1ccccc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000160105395 705243994 /nfs/dbraw/zinc/24/39/94/705243994.db2.gz WMBZHEMMBLGZIU-UHFFFAOYSA-N 0 0 367.536 3.394 20 10 FGCDRN CCS[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C ZINC000171188100 705377449 /nfs/dbraw/zinc/37/74/49/705377449.db2.gz KXYGMDLINZGIDC-SFHVURJKSA-N 0 0 368.518 3.181 20 10 FGCDRN COCC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000174862158 705522981 /nfs/dbraw/zinc/52/29/81/705522981.db2.gz PDHJWSUPNRWLDJ-LJQANCHMSA-N 0 0 364.873 3.265 20 10 FGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1nnc(C(F)F)s1 ZINC000175651628 705555008 /nfs/dbraw/zinc/55/50/08/705555008.db2.gz FQZQGAIMSRRSCF-UHFFFAOYSA-N 0 0 354.382 3.382 20 10 FGCDRN Cc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)c(O)c1O ZINC000177659038 705634426 /nfs/dbraw/zinc/63/44/26/705634426.db2.gz XKYMPZQEFXLMDM-UHFFFAOYSA-N 0 0 350.212 3.441 20 10 FGCDRN Cc1ccc(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c(O)c1O ZINC000177686836 705635338 /nfs/dbraw/zinc/63/53/38/705635338.db2.gz XXNXJQQBHXRBRI-CYBMUJFWSA-N 0 0 356.205 3.176 20 10 FGCDRN Cc1cc2cc(NC(=O)C(=O)NCCCSc3nccs3)ccc2[nH]1 ZINC000177763117 705638455 /nfs/dbraw/zinc/63/84/55/705638455.db2.gz GMMCBYBRLXEIFP-UHFFFAOYSA-N 0 0 374.491 3.170 20 10 FGCDRN O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1Cc1ccon1 ZINC000178017776 705650619 /nfs/dbraw/zinc/65/06/19/705650619.db2.gz VLPNMXQUJWKVNE-SDQBBNPISA-N 0 0 352.824 3.435 20 10 FGCDRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1F ZINC000181619696 705801353 /nfs/dbraw/zinc/80/13/53/705801353.db2.gz VXMDVBKTALYLCR-UHFFFAOYSA-N 0 0 366.458 3.029 20 10 FGCDRN O[C@@H](CN(Cc1cccs1)c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000181756086 705807873 /nfs/dbraw/zinc/80/78/73/705807873.db2.gz NHIPIIHSPOLNKM-HNNXBMFYSA-N 0 0 359.369 3.449 20 10 FGCDRN Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccc(O)c(C)c3)cc2F)c1 ZINC000182475476 705845722 /nfs/dbraw/zinc/84/57/22/705845722.db2.gz PHEPGPJSZBEWIQ-UHFFFAOYSA-N 0 0 361.398 3.135 20 10 FGCDRN CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2cccc(OC)c2O)CCO1 ZINC000183739555 705900004 /nfs/dbraw/zinc/90/00/04/705900004.db2.gz DFYMFWPZFYHWER-WBVHZDCISA-N 0 0 350.459 3.184 20 10 FGCDRN Cc1cnc([C@H](C)CNC(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000184440795 712672167 /nfs/dbraw/zinc/67/21/67/712672167.db2.gz OETFEVVVQWPKHV-CYBMUJFWSA-N 0 0 358.511 3.437 20 10 FGCDRN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000184852811 712677204 /nfs/dbraw/zinc/67/72/04/712677204.db2.gz GGGJCJFNLVWZTK-BBRMVZONSA-N 0 0 350.459 3.317 20 10 FGCDRN CCN(CC)c1ccc(CN2CCS(=O)(=O)c3ccccc3C2)cc1 ZINC000187688769 712752068 /nfs/dbraw/zinc/75/20/68/712752068.db2.gz HPQGHGLMKCJRCL-UHFFFAOYSA-N 0 0 358.507 3.322 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)CCOCC(F)(F)C(F)(F)F)c1 ZINC000189553695 712797400 /nfs/dbraw/zinc/79/74/00/712797400.db2.gz UUDKYIVBNUERHQ-VIFPVBQESA-N 0 0 371.302 3.182 20 10 FGCDRN O=C(CC1CCC2(CC1)OCCO2)NCCCSc1nccs1 ZINC000191847748 712845342 /nfs/dbraw/zinc/84/53/42/712845342.db2.gz IDBUXOAJZNQRLD-UHFFFAOYSA-N 0 0 356.513 3.065 20 10 FGCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192027340 712849168 /nfs/dbraw/zinc/84/91/68/712849168.db2.gz DVFOBARGQPZJBF-SFHVURJKSA-N 0 0 360.885 3.426 20 10 FGCDRN CC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000192663891 712869691 /nfs/dbraw/zinc/86/96/91/712869691.db2.gz OKNVZKPWSIMUHY-AWEZNQCLSA-N 0 0 365.271 3.357 20 10 FGCDRN CCCCN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000192941766 712878194 /nfs/dbraw/zinc/87/81/94/712878194.db2.gz HCQSHRKUIFDJQE-INIZCTEOSA-N 0 0 369.527 3.185 20 10 FGCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000193872489 713502370 /nfs/dbraw/zinc/50/23/70/713502370.db2.gz LAKZMOHCCYRKMU-UHFFFAOYSA-N 0 0 353.205 3.296 20 10 FGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000194004106 713507093 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C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc(Br)cc(Cl)c1[O-] ZINC000779069154 724387201 /nfs/dbraw/zinc/38/72/01/724387201.db2.gz MKSRXSPXGHXDJQ-SSDOTTSWSA-N 0 0 373.634 3.351 20 10 FGCDRN COC(=O)[C@H](NCc1cc(Br)ccc1O)c1ccccc1F ZINC000779177532 724398118 /nfs/dbraw/zinc/39/81/18/724398118.db2.gz FAWBBCHNCASARP-OAHLLOKOSA-N 0 0 368.202 3.298 20 10 FGCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nnc(Cc2ccccc2)s1 ZINC000779497826 724416325 /nfs/dbraw/zinc/41/63/25/724416325.db2.gz HEYPVZYIVQLZKY-CLFYSBASSA-N 0 0 353.403 3.192 20 10 FGCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccccc1Br ZINC000779506327 724416549 /nfs/dbraw/zinc/41/65/49/724416549.db2.gz PDLPCRCOTWBYMC-VURMDHGXSA-N 0 0 362.223 3.232 20 10 FGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1[C@@H](O)C(F)(F)F ZINC000779544373 724417941 /nfs/dbraw/zinc/41/79/41/724417941.db2.gz LYLYRLWUIAZGFR-IQIBNGDESA-N 0 0 353.296 3.345 20 10 FGCDRN COC(=O)c1ccc(CNC(=S)Nc2ccc(F)cc2)nc1C1CC1 ZINC000779720916 724423250 /nfs/dbraw/zinc/42/32/50/724423250.db2.gz 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CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@@H](O)C(F)(F)F ZINC000781636802 724581719 /nfs/dbraw/zinc/58/17/19/724581719.db2.gz SCKGLJSFEWJXFP-ZYHUDNBSSA-N 0 0 356.182 3.255 20 10 FGCDRN CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000781903358 724609938 /nfs/dbraw/zinc/60/99/38/724609938.db2.gz ZSVDHWSPTRQFDM-OAHLLOKOSA-N 0 0 369.303 3.296 20 10 FGCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000781911598 724610991 /nfs/dbraw/zinc/61/09/91/724610991.db2.gz MGEYCZYFOZIVKG-YPMHNXCESA-N 0 0 368.193 3.351 20 10 FGCDRN O=C(N[C@@H](CCO)c1ccccc1Br)C1=CC(=O)CS1 ZINC000782132737 724630989 /nfs/dbraw/zinc/63/09/89/724630989.db2.gz PUGASPPXRKWDQF-LBPRGKRZSA-N 0 0 356.241 3.070 20 10 FGCDRN CCOC(=O)CN1C(=O)/C(=C\c2scnc2C2CC2)c2ccccc21 ZINC000782349535 724656778 /nfs/dbraw/zinc/65/67/78/724656778.db2.gz ZXCNVOSRNWKFPQ-ZROIWOOFSA-N 0 0 354.431 3.471 20 10 FGCDRN O=C(NCCCSc1nccs1)N1CC[C@H](Cc2ccncc2)C1 ZINC000782734134 724697772 /nfs/dbraw/zinc/69/77/72/724697772.db2.gz 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722460666 /nfs/dbraw/zinc/46/06/66/722460666.db2.gz BUPQSPOJMYQZSO-UHFFFAOYSA-N 0 0 364.785 3.147 20 10 FGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(Oc2ccncc2)C1 ZINC000730832152 722471335 /nfs/dbraw/zinc/47/13/35/722471335.db2.gz BZPONBIGUDYSKY-UHFFFAOYSA-N 0 0 353.447 3.454 20 10 FGCDRN COc1cccc(OC)c1OC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732273021 722483312 /nfs/dbraw/zinc/48/33/12/722483312.db2.gz IKXWCQWWEDNETQ-UHFFFAOYSA-N 0 0 363.435 3.155 20 10 FGCDRN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732287202 722483494 /nfs/dbraw/zinc/48/34/94/722483494.db2.gz PTLLWJQINYLJMS-NSHDSACASA-N 0 0 352.406 3.251 20 10 FGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCN(C)CC(F)(F)F)cc1 ZINC000732642773 722486846 /nfs/dbraw/zinc/48/68/46/722486846.db2.gz ORKXYRVGWTVONP-UHFFFAOYSA-N 0 0 353.388 3.318 20 10 FGCDRN CCOc1nnc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)s1 ZINC000733436725 722497111 /nfs/dbraw/zinc/49/71/11/722497111.db2.gz WARAIKJMAYCDKU-UHFFFAOYSA-N 0 0 358.423 3.096 20 10 FGCDRN 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20 10 FGCDRN Cc1cc(Br)ccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000769862628 723698078 /nfs/dbraw/zinc/69/80/78/723698078.db2.gz NYLZQFMCYKHCJT-UHFFFAOYSA-N 0 0 370.224 3.287 20 10 FGCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000770739073 723720219 /nfs/dbraw/zinc/72/02/19/723720219.db2.gz IEVQMSGTMVRXMG-CQSZACIVSA-N 0 0 363.508 3.188 20 10 FGCDRN O=C(CCCC(F)(F)F)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000770754331 723720508 /nfs/dbraw/zinc/72/05/08/723720508.db2.gz BQXMLDTZJGURML-UHFFFAOYSA-N 0 0 358.404 3.244 20 10 FGCDRN Cc1ccsc1[C@H](CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000771241347 723731125 /nfs/dbraw/zinc/73/11/25/723731125.db2.gz XOVHICJVQYHNGB-INIZCTEOSA-N 0 0 355.463 3.322 20 10 FGCDRN CCC1(CC)[C@H](NC(=O)NCc2cccc(OC)c2O)[C@H](C)[C@H]1OC ZINC000771436101 723735199 /nfs/dbraw/zinc/73/51/99/723735199.db2.gz UJLDFVYIRVLEST-JCURWCKSSA-N 0 0 350.459 3.040 20 10 FGCDRN C[NH+]1CCN(c2ccc(/C=C/c3ncc(/C=C/C(=O)[O-])s3)cc2)CC1 ZINC000771524330 723736968 /nfs/dbraw/zinc/73/69/68/723736968.db2.gz IHYUVFWOQHFFMT-QDJBHUIFSA-N 0 0 355.463 3.163 20 10 FGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](COC(C)C)C1 ZINC000771668066 723739850 /nfs/dbraw/zinc/73/98/50/723739850.db2.gz AUTDJFDEEOONLN-MRXNPFEDSA-N 0 0 362.495 3.422 20 10 FGCDRN C[C@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccc(N(C)C)cc1 ZINC000773023730 723774717 /nfs/dbraw/zinc/77/47/17/723774717.db2.gz KBTROVAXVQZXDQ-JTQLQIEISA-N 0 0 353.344 3.363 20 10 FGCDRN COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773084743 723776281 /nfs/dbraw/zinc/77/62/81/723776281.db2.gz SLYYVLSQDZNHMZ-LBPRGKRZSA-N 0 0 368.886 3.454 20 10 FGCDRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(F)cc1F ZINC000773088846 723776496 /nfs/dbraw/zinc/77/64/96/723776496.db2.gz PKHUAONLABYPOK-LBPRGKRZSA-N 0 0 354.422 3.379 20 10 FGCDRN O=[N+]([O-])c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)c2nonc21 ZINC000773254706 723780347 /nfs/dbraw/zinc/78/03/47/723780347.db2.gz MYBOLAALMGGOQO-UHFFFAOYSA-N 0 0 357.757 3.473 20 10 FGCDRN O=C(NCc1ccccc1O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000773282186 723781199 /nfs/dbraw/zinc/78/11/99/723781199.db2.gz LAHZFIGMGOZNMZ-UHFFFAOYSA-N 0 0 372.730 3.319 20 10 FGCDRN COc1c(F)cc(F)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000797636523 723844652 /nfs/dbraw/zinc/84/46/52/723844652.db2.gz YZFQEROIPLFWFN-VIFPVBQESA-N 0 0 352.337 3.137 20 10 FGCDRN C[C@H](NC(=O)c1cnc(-c2ncccn2)s1)c1ccc(N(C)C)cc1 ZINC000773995838 723847202 /nfs/dbraw/zinc/84/72/02/723847202.db2.gz XIASPZRPDOFSOI-LBPRGKRZSA-N 0 0 353.451 3.157 20 10 FGCDRN CCCCn1cc(CNC(=O)NCCCSc2nccs2)c(C)n1 ZINC000774241595 723874063 /nfs/dbraw/zinc/87/40/63/723874063.db2.gz RZLSVHVABPKBKL-UHFFFAOYSA-N 0 0 367.544 3.430 20 10 FGCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1[O-] ZINC000774397141 723888787 /nfs/dbraw/zinc/88/87/87/723888787.db2.gz RCAVILXRHLFNTK-ZYHUDNBSSA-N 0 0 357.347 3.450 20 10 FGCDRN C[C@@H]1[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CC(=O)N1Cc1ccccc1 ZINC000798506059 723938649 /nfs/dbraw/zinc/93/86/49/723938649.db2.gz YZJUXXWKOBKGAZ-MLGOLLRUSA-N 0 0 362.832 3.464 20 10 FGCDRN CCCNC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2O)c2ccccc2O1 ZINC000775083543 723959215 /nfs/dbraw/zinc/95/92/15/723959215.db2.gz YMHFKBNOJJELSZ-SFHVURJKSA-N 0 0 360.841 3.339 20 10 FGCDRN C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC(=O)N1Cc1ccccc1 ZINC000798966991 723980823 /nfs/dbraw/zinc/98/08/23/723980823.db2.gz MWBHIQXKWNLEEL-SJCJKPOMSA-N 0 0 362.832 3.464 20 10 FGCDRN C[C@H](NC(=O)Nc1cnn(CC(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000775631988 724013192 /nfs/dbraw/zinc/01/31/92/724013192.db2.gz LUKGYTASARBOPA-NSHDSACASA-N 0 0 355.364 3.394 20 10 FGCDRN COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000775992990 724094378 /nfs/dbraw/zinc/09/43/78/724094378.db2.gz OEORFLATUANTMX-QAPCUYQASA-N 0 0 353.846 3.460 20 10 FGCDRN C[C@@H]1C[C@@H](C)[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)O1 ZINC000799932962 724115072 /nfs/dbraw/zinc/11/50/72/724115072.db2.gz ZAKUWOOLHBEHAH-XJKCOSOUSA-N 0 0 358.404 3.457 20 10 FGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCOC3)cc2Cl)C1 ZINC000799960810 724118577 /nfs/dbraw/zinc/11/85/77/724118577.db2.gz PXXUIUOLHVILOQ-UKRRQHHQSA-N 0 0 351.878 3.164 20 10 FGCDRN O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000776218122 724120420 /nfs/dbraw/zinc/12/04/20/724120420.db2.gz YOUMIUOSSJYRCI-XYJFISCASA-N 0 0 356.853 3.292 20 10 FGCDRN Cn1cc(/C=C(/Cl)c2nc3ccc(Br)cc3n2C)nn1 ZINC000776723250 724174402 /nfs/dbraw/zinc/17/44/02/724174402.db2.gz DNKFJQKNSGGONU-UXBLZVDNSA-N 0 0 352.623 3.201 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000800514233 724206654 /nfs/dbraw/zinc/20/66/54/724206654.db2.gz FVMDAYBZJHSHHW-FIXISWKDSA-N 0 0 356.260 3.317 20 10 FGCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccsc3)CC2)cc1F ZINC000801066984 724267161 /nfs/dbraw/zinc/26/71/61/724267161.db2.gz FIGNJEDDDTZZCB-ZDUSSCGKSA-N 0 0 363.458 3.489 20 10 FGCDRN CCN1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000802373802 724379588 /nfs/dbraw/zinc/37/95/88/724379588.db2.gz KXXNJZWJNMXMFA-KRWDZBQOSA-N 0 0 359.857 3.098 20 10 FGCDRN O=C(COC(=O)c1ncsc1-c1ccccc1)c1ccc(O)c(O)c1 ZINC000784855727 724880685 /nfs/dbraw/zinc/88/06/85/724880685.db2.gz PEUOLMYBGCSQAP-UHFFFAOYSA-N 0 0 355.371 3.261 20 10 FGCDRN C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cc(F)cc(F)c1[O-] ZINC000787008965 725012696 /nfs/dbraw/zinc/01/26/96/725012696.db2.gz FDVFVSCIEAOZMU-YMNVWFMLSA-N 0 0 351.349 3.172 20 10 FGCDRN COc1cccc(CNC(=O)c2c(F)ccc(Br)c2F)c1O ZINC000787446954 725028809 /nfs/dbraw/zinc/02/88/09/725028809.db2.gz UQDDTBIQHPHLPR-UHFFFAOYSA-N 0 0 372.165 3.372 20 10 FGCDRN CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)F ZINC000787491348 725030022 /nfs/dbraw/zinc/03/00/22/725030022.db2.gz PTSNABNKZMVUEE-HIFRSBDPSA-N 0 0 360.376 3.424 20 10 FGCDRN CCC1(CNC(=O)NCc2cc(Br)ccc2O)CCOCC1 ZINC000805377465 725067675 /nfs/dbraw/zinc/06/76/75/725067675.db2.gz ALHBQIWLCAJRJI-UHFFFAOYSA-N 0 0 371.275 3.161 20 10 FGCDRN CCn1cccc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])c1=O ZINC000788604355 725075182 /nfs/dbraw/zinc/07/51/82/725075182.db2.gz JXTYJUGWUKJGCD-SNVBAGLBSA-N 0 0 369.234 3.326 20 10 FGCDRN C[C@H](NC(=O)c1nc(Cl)cs1)c1ccc(N2CCOCC2)cc1 ZINC000788742609 725085060 /nfs/dbraw/zinc/08/50/60/725085060.db2.gz NQMZYCITJISQBN-NSHDSACASA-N 0 0 351.859 3.124 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2c(F)cncc2F)c1 ZINC000805862512 725101149 /nfs/dbraw/zinc/10/11/49/725101149.db2.gz YEVMDLLKRIHTQJ-NXEZZACHSA-N 0 0 351.353 3.195 20 10 FGCDRN C[C@H]1CC[C@@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000805865616 725101163 /nfs/dbraw/zinc/10/11/63/725101163.db2.gz AEUJIZXVTXZCEB-LRDDRELGSA-N 0 0 353.413 3.355 20 10 FGCDRN CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1cccc(Cl)c1[O-] ZINC000806147742 725118138 /nfs/dbraw/zinc/11/81/38/725118138.db2.gz LXZIKGGTQYSVFH-KBPBESRZSA-N 0 0 360.907 3.228 20 10 FGCDRN CC(C)C1CCC(NC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806279247 725122564 /nfs/dbraw/zinc/12/25/64/725122564.db2.gz JGAUYJTYYFAVHE-UHFFFAOYSA-N 0 0 369.556 3.073 20 10 FGCDRN O=C(NCc1cc(Br)ccc1O)Nc1cccc2c1OCO2 ZINC000806404068 725127322 /nfs/dbraw/zinc/12/73/22/725127322.db2.gz ZJQZUTWRHZGJFA-UHFFFAOYSA-N 0 0 365.183 3.205 20 10 FGCDRN CCOc1cccc(NC(=O)NCc2cc(Br)ccc2O)n1 ZINC000806425399 725128220 /nfs/dbraw/zinc/12/82/20/725128220.db2.gz CZLYCGVBKQWZKC-UHFFFAOYSA-N 0 0 366.215 3.270 20 10 FGCDRN COc1ccc(C)nc1NC(=O)NCc1cc(Br)ccc1O ZINC000806424058 725128253 /nfs/dbraw/zinc/12/82/53/725128253.db2.gz GMFASDLTLGJXEA-UHFFFAOYSA-N 0 0 366.215 3.188 20 10 FGCDRN C[C@H](NC(=O)NC[C@@H]1CCCSC1)c1ccc(N2CCOCC2)cc1 ZINC000806541818 725132408 /nfs/dbraw/zinc/13/24/08/725132408.db2.gz METPHASRCRYRLS-HOTGVXAUSA-N 0 0 363.527 3.027 20 10 FGCDRN COC(=O)[C@@H](NCc1cc(Br)ccc1O)c1cccs1 ZINC000789571668 725137016 /nfs/dbraw/zinc/13/70/16/725137016.db2.gz LAUYBDNJNMACFN-ZDUSSCGKSA-N 0 0 356.241 3.220 20 10 FGCDRN CCN(CC)c1ccc(CN[C@H](CC(F)(F)F)C(=O)OC)cc1F ZINC000789580893 725137421 /nfs/dbraw/zinc/13/74/21/725137421.db2.gz RLXXCAZFQATNRG-CYBMUJFWSA-N 0 0 350.356 3.256 20 10 FGCDRN O=C(NCCCSc1nccs1)NCCc1ccc2c[nH]nc2c1 ZINC000806958531 725150067 /nfs/dbraw/zinc/15/00/67/725150067.db2.gz JJIJRXHYKUWVHH-UHFFFAOYSA-N 0 0 361.496 3.044 20 10 FGCDRN C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccs1)c1ccc(N(C)C)cc1 ZINC000807670790 725165608 /nfs/dbraw/zinc/16/56/08/725165608.db2.gz INEBZVCVMIHHBX-KGLIPLIRSA-N 0 0 359.495 3.211 20 10 FGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000808093885 725183297 /nfs/dbraw/zinc/18/32/97/725183297.db2.gz XQFBTZDYQSQBRW-CYBMUJFWSA-N 0 0 366.841 3.399 20 10 FGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(Br)cc1 ZINC000808094980 725183437 /nfs/dbraw/zinc/18/34/37/725183437.db2.gz MNYLXRCTFIBDBB-UHFFFAOYSA-N 0 0 369.255 3.499 20 10 FGCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000808095102 725183472 /nfs/dbraw/zinc/18/34/72/725183472.db2.gz RIOPRZZJVUHYQK-UHFFFAOYSA-N 0 0 352.402 3.491 20 10 FGCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC=C(c3ccnn3C)CC2)c1 ZINC000809690697 725258966 /nfs/dbraw/zinc/25/89/66/725258966.db2.gz WLBIVXKZYGQKSA-UHFFFAOYSA-N 0 0 362.271 3.486 20 10 FGCDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(Br)ccc1O ZINC000809697900 725259973 /nfs/dbraw/zinc/25/99/73/725259973.db2.gz RDXNCAOTDSEDDG-PRHODGIISA-N 0 0 354.166 3.306 20 10 FGCDRN CN(C)c1ccc(CN2CCOC[C@H]2[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000809698400 725259978 /nfs/dbraw/zinc/25/99/78/725259978.db2.gz DCWVAKDFCAZIDW-DLBZAZTESA-N 0 0 358.404 3.151 20 10 FGCDRN Oc1ccc(Br)cc1CN1CCN(c2ccc(F)cn2)CC1 ZINC000809749788 725264851 /nfs/dbraw/zinc/26/48/51/725264851.db2.gz RPYYUQZUOLVKBY-UHFFFAOYSA-N 0 0 366.234 3.011 20 10 FGCDRN Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1C ZINC000809769582 725266914 /nfs/dbraw/zinc/26/69/14/725266914.db2.gz PFYKUWNEVWJRDT-NKFCBESUSA-N 0 0 358.404 3.286 20 10 FGCDRN Cc1cc(Br)cc(CNc2ccc(C3(O)COC3)cc2)c1O ZINC000809782349 725268334 /nfs/dbraw/zinc/26/83/34/725268334.db2.gz QCHZXNJYKZPAAP-UHFFFAOYSA-N 0 0 364.239 3.293 20 10 FGCDRN Cc1ccc(CN(Cc2cnnn2C)c2ccc3c(c2)OCCO3)s1 ZINC000809959454 725278708 /nfs/dbraw/zinc/27/87/08/725278708.db2.gz 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COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826894645 729418238 /nfs/dbraw/zinc/41/82/38/729418238.db2.gz SFJKSKUZUJMWHG-ZJUUUORDSA-N 0 0 369.742 3.358 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/[C@@H]1CCOC1 ZINC000827084821 729423775 /nfs/dbraw/zinc/42/37/75/729423775.db2.gz DDUWVTSGFPQBRR-MJRJWQSSSA-N 0 0 354.244 3.096 20 10 FGCDRN Cc1cc(C(=O)CN2CCC[C@@H](CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827354197 729429289 /nfs/dbraw/zinc/42/92/89/729429289.db2.gz NHQXSZLTBGWUTO-OAHLLOKOSA-N 0 0 361.873 3.030 20 10 FGCDRN CCOC(=O)c1csc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000827458000 729430516 /nfs/dbraw/zinc/43/05/16/729430516.db2.gz NWGAAXOITIPARG-CYBMUJFWSA-N 0 0 361.467 3.330 20 10 FGCDRN CC(C)(C)OC(=O)C1(C(=O)NCCCSc2nccs2)CCC1 ZINC000827475286 729430692 /nfs/dbraw/zinc/43/06/92/729430692.db2.gz WAXQSBRPUQMRBN-UHFFFAOYSA-N 0 0 356.513 3.254 20 10 FGCDRN COC(=O)Cc1ccc(NCCCSc2nccs2)c([N+](=O)[O-])c1 ZINC000827623522 729432505 /nfs/dbraw/zinc/43/25/05/729432505.db2.gz 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CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])[C@@H](O)C(F)F ZINC000834876084 729841216 /nfs/dbraw/zinc/84/12/16/729841216.db2.gz YEMOXSANYIYIKQ-MDSUWVFBSA-N 0 0 356.182 3.349 20 10 FGCDRN COc1cccnc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834906311 729845332 /nfs/dbraw/zinc/84/53/32/729845332.db2.gz OVWSTTWEIXRNNV-AWEZNQCLSA-N 0 0 361.873 3.431 20 10 FGCDRN Cc1csc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000836242480 729949338 /nfs/dbraw/zinc/94/93/38/729949338.db2.gz WGOVOUYFBIQYJY-UHFFFAOYSA-N 0 0 363.458 3.032 20 10 FGCDRN O=C(CCc1cccs1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837703257 730055833 /nfs/dbraw/zinc/05/58/33/730055833.db2.gz BQLSPHBEEBJARM-UHFFFAOYSA-N 0 0 366.433 3.112 20 10 FGCDRN C[C@@H]1CCC[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000837709733 730056187 /nfs/dbraw/zinc/05/61/87/730056187.db2.gz OYWKPQWTWJWHOP-UKRRQHHQSA-N 0 0 352.425 3.244 20 10 FGCDRN C[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccs1 ZINC000837709107 730056189 /nfs/dbraw/zinc/05/61/89/730056189.db2.gz IBCVXWOZNIMCGV-GFCCVEGCSA-N 0 0 366.433 3.283 20 10 FGCDRN C[C@H]1CCC[C@@H]1CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837711354 730056506 /nfs/dbraw/zinc/05/65/06/730056506.db2.gz ZWGIOQQMSGGCPA-DZGCQCFKSA-N 0 0 352.425 3.244 20 10 FGCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](O)c1ccsc1 ZINC000840478844 730147955 /nfs/dbraw/zinc/14/79/55/730147955.db2.gz KCFWLLQQAQLFCP-KSSFIOAISA-N 0 0 361.511 3.086 20 10 FGCDRN CN(C)c1ccc(CNC(=O)N[C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000840931130 730193049 /nfs/dbraw/zinc/19/30/49/730193049.db2.gz IWPYDMZZYCZVLO-KRWDZBQOSA-N 0 0 361.511 3.373 20 10 FGCDRN COc1cc(O)c(CN([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc1OC ZINC000840957037 730197028 /nfs/dbraw/zinc/19/70/28/730197028.db2.gz HSTMXYPNGJNYNV-LBPRGKRZSA-N 0 0 351.443 3.104 20 10 FGCDRN COC(=O)[C@H]1CSCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000840975779 730199979 /nfs/dbraw/zinc/19/99/79/730199979.db2.gz ACAOGUHELWULKJ-SNVBAGLBSA-N 0 0 350.267 3.037 20 10 FGCDRN Nc1ccc(NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000841295888 730231214 /nfs/dbraw/zinc/23/12/14/730231214.db2.gz IMJLYUVSALKAFP-ZDUSSCGKSA-N 0 0 353.348 3.353 20 10 FGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C1(C(F)(F)F)CCCC1 ZINC000841383478 730237544 /nfs/dbraw/zinc/23/75/44/730237544.db2.gz KTYLGVGRXVHNQL-UHFFFAOYSA-N 0 0 356.388 3.262 20 10 FGCDRN C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(Cl)cc1O ZINC000841757373 730271224 /nfs/dbraw/zinc/27/12/24/730271224.db2.gz NTIHXKSSKYTWFO-ZDUSSCGKSA-N 0 0 359.857 3.151 20 10 FGCDRN C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841758647 730271351 /nfs/dbraw/zinc/27/13/51/730271351.db2.gz UOBNDHGISUXYNV-ZFWWWQNUSA-N 0 0 351.878 3.376 20 10 FGCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H](O)c1c(F)cccc1Cl ZINC000841958310 730285686 /nfs/dbraw/zinc/28/56/86/730285686.db2.gz PBEYLAFPOJJOES-GTNSWQLSSA-N 0 0 365.836 3.025 20 10 FGCDRN Nc1ccc(CCNC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000841959747 730285714 /nfs/dbraw/zinc/28/57/14/730285714.db2.gz QCBCBYOBGIUHHZ-SFHVURJKSA-N 0 0 359.857 3.248 20 10 FGCDRN CC[C@@H](C)C[C@@H](NCc1cc(Br)cc(OC)c1O)C(=O)OC ZINC000843416540 730617841 /nfs/dbraw/zinc/61/78/41/730617841.db2.gz UQSYQYOOQVOYLW-ZWNOBZJWSA-N 0 0 374.275 3.231 20 10 FGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/C1CCCC1 ZINC000843847763 730660095 /nfs/dbraw/zinc/66/00/95/730660095.db2.gz KAPYDBXKFCSHAK-RMKNXTFCSA-N 0 0 351.830 3.294 20 10 FGCDRN C[C@@H](NC(=O)c1nscc1Br)c1ccc(N(C)C)cc1 ZINC000844485361 730724500 /nfs/dbraw/zinc/72/45/00/730724500.db2.gz NUZWTKBNLLZRNW-SECBINFHSA-N 0 0 354.273 3.463 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000844856370 730781040 /nfs/dbraw/zinc/78/10/40/730781040.db2.gz IKBBJPCEQOAALU-UHFFFAOYSA-N 0 0 351.809 3.091 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CC[C@H](SC)C2)cc1 ZINC000845014376 730801952 /nfs/dbraw/zinc/80/19/52/730801952.db2.gz NUGXSLQTNRXRKR-PBHICJAKSA-N 0 0 351.516 3.057 20 10 FGCDRN COc1ccc2c(c1)[C@@H](NC(=O)NCc1cc(Cl)ccc1O)CCO2 ZINC000845116933 730811241 /nfs/dbraw/zinc/81/12/41/730811241.db2.gz PWINYVHIXRWIMC-HNNXBMFYSA-N 0 0 362.813 3.377 20 10 FGCDRN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCSc1nccs1 ZINC000845506650 730859247 /nfs/dbraw/zinc/85/92/47/730859247.db2.gz OXEOJLHBAJCDPG-UHFFFAOYSA-N 0 0 355.416 3.032 20 10 FGCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ncccc3SC)C2)cc1 ZINC000845610833 730871087 /nfs/dbraw/zinc/87/10/87/730871087.db2.gz HVCRKOYKUPMKKI-CQSZACIVSA-N 0 0 358.463 3.495 20 10 FGCDRN O=C(NC1CC1)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O ZINC000846000686 730917557 /nfs/dbraw/zinc/91/75/57/730917557.db2.gz XJHCWIZGGVDDPQ-GOSISDBHSA-N 0 0 356.853 3.251 20 10 FGCDRN O=C(NCc1cc(Cl)ccc1O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000846120610 730930382 /nfs/dbraw/zinc/93/03/82/730930382.db2.gz BJNSUQRNBAVUSP-UHFFFAOYSA-N 0 0 358.825 3.179 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(Cl)cc(F)c2N)cc1 ZINC000846442809 730956079 /nfs/dbraw/zinc/95/60/79/730956079.db2.gz YXIVWAXDYJEHMS-UHFFFAOYSA-N 0 0 365.836 3.278 20 10 FGCDRN Cc1cc(C(=O)NCC[C@@]2(O)CCOC2)c(C)n1-c1cccc(Cl)c1 ZINC000846454183 730957256 /nfs/dbraw/zinc/95/72/56/730957256.db2.gz XAIVUBZKYSUNRB-LJQANCHMSA-N 0 0 362.857 3.019 20 10 FGCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000846474013 730958584 /nfs/dbraw/zinc/95/85/84/730958584.db2.gz QEWFGYFLJPFMHO-CQSZACIVSA-N 0 0 368.861 3.355 20 10 FGCDRN O=C(Cc1ccccc1O[C@H]1CCOC1)NCc1cc(Cl)ccc1O ZINC000846476555 730958722 /nfs/dbraw/zinc/95/87/22/730958722.db2.gz NHEWEFRYWYFDNS-INIZCTEOSA-N 0 0 361.825 3.072 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC)o1 ZINC000847572816 731066394 /nfs/dbraw/zinc/06/63/94/731066394.db2.gz UXRQUSDYSRMSAR-UHFFFAOYSA-N 0 0 354.200 3.419 20 10 FGCDRN CCOc1cc(O)ccc1NS(=O)(=O)CCCOCc1ccccc1 ZINC000848451477 731165960 /nfs/dbraw/zinc/16/59/60/731165960.db2.gz JESAYKLGIDBWJJ-UHFFFAOYSA-N 0 0 365.451 3.140 20 10 FGCDRN CC[C@@H](C)Oc1cccc(S(=O)(=O)NCc2cccc(OC)c2O)c1 ZINC000849376223 731254005 /nfs/dbraw/zinc/25/40/05/731254005.db2.gz NXNKBBVEOIPPKV-CYBMUJFWSA-N 0 0 365.451 3.057 20 10 FGCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000850379585 731350289 /nfs/dbraw/zinc/35/02/89/731350289.db2.gz CGAZARUJDVDIEA-UHFFFAOYSA-N 0 0 350.260 3.364 20 10 FGCDRN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000850385023 731350977 /nfs/dbraw/zinc/35/09/77/731350977.db2.gz WORQYWKGCQDJPZ-XJKSGUPXSA-N 0 0 364.287 3.389 20 10 FGCDRN C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850497332 731364201 /nfs/dbraw/zinc/36/42/01/731364201.db2.gz UHFGGTMLCMNSPS-JRSYYBBYSA-N 0 0 363.323 3.373 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)NCC[C@]2(C)CC2(F)F)cc1 ZINC000852584916 731604902 /nfs/dbraw/zinc/60/49/02/731604902.db2.gz UVQRFXNLFVMWST-QGZVFWFLSA-N 0 0 355.429 3.208 20 10 FGCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2C(C)(C)C2(F)F)cc1 ZINC000852628510 731611070 /nfs/dbraw/zinc/61/10/70/731611070.db2.gz RPRVWBHNSNHLGZ-HNNXBMFYSA-N 0 0 355.429 3.064 20 10 FGCDRN CC[C@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)[C@H](O)C(F)F ZINC000854747726 731858856 /nfs/dbraw/zinc/85/88/56/731858856.db2.gz HQJIQDQJLIHUDM-WMZOPIPTSA-N 0 0 350.409 3.157 20 10 FGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC000855155343 731902320 /nfs/dbraw/zinc/90/23/20/731902320.db2.gz SQDZXJXXRNVPHP-UHFFFAOYSA-N 0 0 355.463 3.166 20 10 FGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc4cccnc4s3)C2)cc1 ZINC000855223882 731908808 /nfs/dbraw/zinc/90/88/08/731908808.db2.gz IWGZHUPYXALDPT-CQSZACIVSA-N 0 0 353.447 3.314 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(Cl)cc(OC)c3)C2)cc1 ZINC000855225233 731908820 /nfs/dbraw/zinc/90/88/20/731908820.db2.gz IZQWZXSAVZQJON-HNNXBMFYSA-N 0 0 360.841 3.366 20 10 FGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccoc3C(F)(F)F)C2)cc1 ZINC000855225371 731908834 /nfs/dbraw/zinc/90/88/34/731908834.db2.gz KLZGQKIFWZTARA-LLVKDONJSA-N 0 0 354.328 3.316 20 10 FGCDRN COc1ccc(N2CC[C@@H](NC(=O)c3scnc3C(C)(C)C)C2)cc1 ZINC000855232804 731909697 /nfs/dbraw/zinc/90/96/97/731909697.db2.gz YFQPJJODGQDMPQ-CYBMUJFWSA-N 0 0 359.495 3.458 20 10 FGCDRN O=C(CCCc1cccs1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856207924 731995808 /nfs/dbraw/zinc/99/58/08/731995808.db2.gz BPWJSCUZGMIESY-UHFFFAOYSA-N 0 0 358.507 3.348 20 10 FGCDRN O=C(NCC[C@@H]1CC1(Cl)Cl)NCc1ccc(N2CC=CC2)cc1 ZINC000856836292 732068881 /nfs/dbraw/zinc/06/88/81/732068881.db2.gz JQPLIXVRSHTJPL-CQSZACIVSA-N 0 0 354.281 3.446 20 10 FGCDRN CCN(CC)c1ccc(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000857060943 732099452 /nfs/dbraw/zinc/09/94/52/732099452.db2.gz GJPCPYXVNUJMGX-HXUWFJFHSA-N 0 0 358.507 3.292 20 10 FGCDRN CC(C)(C)c1ccc(S(=O)(=O)NN=c2[nH]c3cccnc3s2)s1 ZINC000857224970 732113773 /nfs/dbraw/zinc/11/37/73/732113773.db2.gz BSCHDTWPFVKZAZ-UHFFFAOYSA-N 0 0 368.509 3.356 20 10 FGCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000857548139 732136380 /nfs/dbraw/zinc/13/63/80/732136380.db2.gz FRKQARPVNNYEBR-HNNXBMFYSA-N 0 0 373.758 3.284 20 10 FGCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccc(OC(F)F)cc2)c1 ZINC000858099495 732180659 /nfs/dbraw/zinc/18/06/59/732180659.db2.gz PAASMKGHJRGAPC-UHFFFAOYSA-N 0 0 350.365 3.344 20 10 FGCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)N2CCc3sccc3C2)c1 ZINC000858133541 732183908 /nfs/dbraw/zinc/18/39/08/732183908.db2.gz SKBPAYRUMQRMRG-CQSZACIVSA-N 0 0 359.495 3.008 20 10 FGCDRN Cc1ccc(O)c(CNC(=O)NC[C@H](C)N2CCc3sccc3C2)c1 ZINC000858133539 732183942 /nfs/dbraw/zinc/18/39/42/732183942.db2.gz SKBPAYRUMQRMRG-AWEZNQCLSA-N 0 0 359.495 3.008 20 10 FGCDRN COc1cccc([C@@H](C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])OC)c1 ZINC000858204814 732192179 /nfs/dbraw/zinc/19/21/79/732192179.db2.gz SPXCDZQXYFQQIW-MRXNPFEDSA-N 0 0 366.801 3.440 20 10 FGCDRN Cc1ccc(O)c(CNCc2ncc(I)s2)c1 ZINC000858239280 732195977 /nfs/dbraw/zinc/19/59/77/732195977.db2.gz KTXPYURVQQDVMZ-UHFFFAOYSA-N 0 0 360.220 3.052 20 10 FGCDRN CN(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@]3(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000859812692 732397967 /nfs/dbraw/zinc/39/79/67/732397967.db2.gz VYHYACGPLQAUDK-DYVFJYSZSA-N 0 0 356.388 3.458 20 10 FGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2CCSC2)cc1 ZINC000861409138 732677153 /nfs/dbraw/zinc/67/71/53/732677153.db2.gz KGDMMHHNYHNHJC-QGZVFWFLSA-N 0 0 356.491 3.318 20 10 FGCDRN Cn1cc(NC(=O)NCCCSc2nccs2)c(-c2ccco2)n1 ZINC000861501050 732690939 /nfs/dbraw/zinc/69/09/39/732690939.db2.gz PURWDKNRHOXJKM-UHFFFAOYSA-N 0 0 363.468 3.441 20 10 FGCDRN CC(C)CNC(=O)C1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862215248 732787332 /nfs/dbraw/zinc/78/73/32/732787332.db2.gz GCWQVMUOZIINLJ-UHFFFAOYSA-N 0 0 353.457 3.015 20 10 FGCDRN CN(C)c1cc(F)c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000862348256 732812742 /nfs/dbraw/zinc/81/27/42/732812742.db2.gz HWZGVAFIKMXWNG-BMIGLBTASA-N 0 0 352.347 3.166 20 10 FGCDRN CN(C)c1cc(F)c(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1F ZINC000862365469 732816203 /nfs/dbraw/zinc/81/62/03/732816203.db2.gz TWWYCYLACKIOPO-RYUDHWBXSA-N 0 0 352.347 3.024 20 10 FGCDRN Cn1ccnc1[C@H]1N(Cc2c(O)cccc2Br)CC1(C)C ZINC000862383397 732820701 /nfs/dbraw/zinc/82/07/01/732820701.db2.gz REARLEBNUBHQHL-CQSZACIVSA-N 0 0 350.260 3.471 20 10 FGCDRN Cc1cc(C(=O)NC[C@H](O)[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000862652035 732860264 /nfs/dbraw/zinc/86/02/64/732860264.db2.gz SGEFITUXEGQACS-ZWKOTPCHSA-N 0 0 362.857 3.017 20 10 FGCDRN Cc1cc(Cl)cc([C@@H](C)NCc2nnc(C3CCOCC3)[nH]2)c1O ZINC000866438734 733349017 /nfs/dbraw/zinc/34/90/17/733349017.db2.gz AGHVIKIZZSGCBH-LLVKDONJSA-N 0 0 350.850 3.217 20 10 FGCDRN C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000866628669 733376183 /nfs/dbraw/zinc/37/61/83/733376183.db2.gz LVCSXJDHLBRKHM-MRVPVSSYSA-N 0 0 370.236 3.118 20 10 FGCDRN COc1ccc(CNC(=O)NC2CCC(OC(C)(C)C)CC2)c(O)c1 ZINC000868926140 733662507 /nfs/dbraw/zinc/66/25/07/733662507.db2.gz UOMPUBXTOGJZEU-UHFFFAOYSA-N 0 0 350.459 3.326 20 10 FGCDRN Cc1cn(C(C)(C)C(=O)N2Cc3cccc(O)c3C2)nc1C(F)(F)F ZINC000871207496 733922310 /nfs/dbraw/zinc/92/23/10/733922310.db2.gz PBDGZAHPOCHDLU-UHFFFAOYSA-N 0 0 353.344 3.193 20 10 FGCDRN CC(C)(C)c1ccccc1S(=O)(=O)NN=c1[nH]c2ccncc2s1 ZINC000872384611 735622448 /nfs/dbraw/zinc/62/24/48/735622448.db2.gz KOMPZTJQLZUVLB-UHFFFAOYSA-N 0 0 362.480 3.294 20 10 FGCDRN O=C([O-])C1CC([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000874053934 735833712 /nfs/dbraw/zinc/83/37/12/735833712.db2.gz RIDBIBPKXYQDEB-UHFFFAOYSA-N 0 0 367.287 3.392 20 10 FGCDRN C[C@@H](NC(=O)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccccc1O ZINC000874191751 735848924 /nfs/dbraw/zinc/84/89/24/735848924.db2.gz LNTWDVIJTMJOGK-MFKMUULPSA-N 0 0 360.376 3.053 20 10 FGCDRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCSc3ncccc32)C1 ZINC000875364752 735981300 /nfs/dbraw/zinc/98/13/00/735981300.db2.gz SKVLXRDHRBHBTQ-CYBMUJFWSA-N 0 0 361.467 3.134 20 10 FGCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc(Br)cn1 ZINC000875549351 736002625 /nfs/dbraw/zinc/00/26/25/736002625.db2.gz VXSFBDXQTFXLAU-JTQLQIEISA-N 0 0 362.227 3.336 20 10 FGCDRN O=C(NCC[C@@H]1CCSC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000875940749 736041812 /nfs/dbraw/zinc/04/18/12/736041812.db2.gz LICROOPETPHWMT-WBVHZDCISA-N 0 0 364.511 3.226 20 10 FGCDRN C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)C1 ZINC000876613730 736121684 /nfs/dbraw/zinc/12/16/84/736121684.db2.gz CDXPERHEYCDRHM-ZDUSSCGKSA-N 0 0 352.425 3.141 20 10 FGCDRN C[S@@](=O)Cc1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876862660 736155631 /nfs/dbraw/zinc/15/56/31/736155631.db2.gz SMXDXXLKBPYWIM-RUZDIDTESA-N 0 0 358.507 3.138 20 10 FGCDRN COc1c([O-])c(C[NH2+]CCSCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000877730866 736711023 /nfs/dbraw/zinc/71/10/23/736711023.db2.gz HWEUJMBGQOERIZ-UHFFFAOYSA-N 0 0 354.350 3.084 20 10 FGCDRN COC(=O)[C@@H](Cc1cncs1)NCc1ccc(N2CCCCC2)cc1 ZINC000877800994 736723937 /nfs/dbraw/zinc/72/39/37/736723937.db2.gz FHYNELLOWNNCME-GOSISDBHSA-N 0 0 359.495 3.007 20 10 FGCDRN COc1ccc(N2CCC(NC(=O)c3ncsc3C3CC3)CC2)cc1 ZINC000878632418 736902078 /nfs/dbraw/zinc/90/20/78/736902078.db2.gz KNJMCCWQQPQQQR-UHFFFAOYSA-N 0 0 357.479 3.428 20 10 FGCDRN COc1ccc(N2CCC(NC(=O)c3cc(C)cnc3Cl)CC2)cc1 ZINC000878632776 736902203 /nfs/dbraw/zinc/90/22/03/736902203.db2.gz NSWDKGLMSBBBSF-UHFFFAOYSA-N 0 0 359.857 3.451 20 10 FGCDRN 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CC(=O)NC[C@H](C)OC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000754622279 722943383 /nfs/dbraw/zinc/94/33/83/722943383.db2.gz HQZGGCMQKXAKGV-ZDUSSCGKSA-N 0 0 362.857 3.358 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)c2cn(C)nc2C(F)F)cc1F ZINC000755171992 722950923 /nfs/dbraw/zinc/95/09/23/722950923.db2.gz DWCVNUWABKYZBC-UHFFFAOYSA-N 0 0 354.376 3.273 20 10 FGCDRN CCCCCC(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000755860623 722957716 /nfs/dbraw/zinc/95/77/16/722957716.db2.gz SMKSAJHDQJRZHQ-UHFFFAOYSA-N 0 0 356.488 3.100 20 10 FGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000756496779 722965641 /nfs/dbraw/zinc/96/56/41/722965641.db2.gz XWKVIIBRFRHXKA-RYUDHWBXSA-N 0 0 352.431 3.315 20 10 FGCDRN C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756568423 722966998 /nfs/dbraw/zinc/96/69/98/722966998.db2.gz DYUBPJYEQSNIQC-MRVPVSSYSA-N 0 0 373.188 3.439 20 10 FGCDRN C[C@H]([NH2+]CCOc1cccnc1)c1cc(Br)cc(F)c1[O-] ZINC000756570942 722967092 /nfs/dbraw/zinc/96/70/92/722967092.db2.gz GVUPLROMCSYLSX-JTQLQIEISA-N 0 0 355.207 3.418 20 10 FGCDRN Cc1noc(CCC[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000756683464 722968683 /nfs/dbraw/zinc/96/86/83/722968683.db2.gz HXBJRDKNPXRHDE-QMMMGPOBSA-N 0 0 358.211 3.269 20 10 FGCDRN Cc1noc(CCC[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000756686104 722968695 /nfs/dbraw/zinc/96/86/95/722968695.db2.gz REPXHFXBYOUAFP-QMMMGPOBSA-N 0 0 358.211 3.269 20 10 FGCDRN CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])[nH]1 ZINC000756779207 722969975 /nfs/dbraw/zinc/96/99/75/722969975.db2.gz RAOQPSPQKXRYNN-JGVFFNPUSA-N 0 0 357.227 3.386 20 10 FGCDRN CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756858232 722970835 /nfs/dbraw/zinc/97/08/35/722970835.db2.gz SHUINZCEUSGFLY-SECBINFHSA-N 0 0 361.255 3.107 20 10 FGCDRN C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000757656618 722977975 /nfs/dbraw/zinc/97/79/75/722977975.db2.gz KYRDFTXFXQFCIM-PUERIAAYSA-N 0 0 354.697 3.226 20 10 FGCDRN C[C@@H]([NH2+]CCCn1ccnn1)c1cc(Br)cc(Cl)c1[O-] ZINC000757659411 722978043 /nfs/dbraw/zinc/97/80/43/722978043.db2.gz ZRFCDHDDABCEDB-SECBINFHSA-N 0 0 359.655 3.141 20 10 FGCDRN COc1ccc(N(C)CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)cc1Cl ZINC000757855474 722980505 /nfs/dbraw/zinc/98/05/05/722980505.db2.gz BWFZLRDUNGFWFJ-GFCCVEGCSA-N 0 0 362.861 3.013 20 10 FGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccc(OC(F)F)cc1 ZINC000758563931 722991788 /nfs/dbraw/zinc/99/17/88/722991788.db2.gz YWIIFGMULPUYSG-SECBINFHSA-N 0 0 352.289 3.127 20 10 FGCDRN CC[C@H](C)[C@@H](NC(=O)CSc1ncc(C(C)(C)C)s1)C(=O)OC ZINC000759720186 723018388 /nfs/dbraw/zinc/01/83/88/723018388.db2.gz YKPSETKUGZPNNM-GXFFZTMASA-N 0 0 358.529 3.237 20 10 FGCDRN Cc1cc(C(=O)N[C@@H](C)c2ncnn2C)c(C)n1-c1cccc(Cl)c1 ZINC000789865805 723078970 /nfs/dbraw/zinc/07/89/70/723078970.db2.gz VIIMGHVLEKDSPE-LBPRGKRZSA-N 0 0 357.845 3.367 20 10 FGCDRN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000760883208 723101147 /nfs/dbraw/zinc/10/11/47/723101147.db2.gz ARUJVUSEEUIHPY-DYQSUWPFSA-N 0 0 362.239 3.138 20 10 FGCDRN CCN(C)c1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)cn1 ZINC000790106516 723105666 /nfs/dbraw/zinc/10/56/66/723105666.db2.gz MFFPBPCEJJJIST-JLHYYAGUSA-N 0 0 367.565 3.492 20 10 FGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCc2ccccc21 ZINC000760979868 723109714 /nfs/dbraw/zinc/10/97/14/723109714.db2.gz XFNZVOWKVNGKFU-MRXNPFEDSA-N 0 0 356.809 3.497 20 10 FGCDRN COc1cc(Cl)cc(CN(C)Cc2cnn(-c3ccccc3)n2)c1O ZINC000761192591 723131590 /nfs/dbraw/zinc/13/15/90/723131590.db2.gz STVZAUZCAKPLPF-UHFFFAOYSA-N 0 0 358.829 3.267 20 10 FGCDRN Cc1cc([C@H]2NC(=O)N(CCCSc3nccs3)C2=O)ccc1F ZINC000761296315 723141651 /nfs/dbraw/zinc/14/16/51/723141651.db2.gz GHLGJKCOYSIVRW-CYBMUJFWSA-N 0 0 365.455 3.366 20 10 FGCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C(F)(F)C1CCOCC1 ZINC000790522220 723148476 /nfs/dbraw/zinc/14/84/76/723148476.db2.gz AMBZZFNIIYCUOO-UHFFFAOYSA-N 0 0 352.425 3.355 20 10 FGCDRN CS[C@H]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761631681 723171536 /nfs/dbraw/zinc/17/15/36/723171536.db2.gz ZEEXITRQMXTFLV-OLZOCXBDSA-N 0 0 354.859 3.094 20 10 FGCDRN COc1cc([C@H](C)[NH2+]Cc2c([O-])ccc(Cl)c2F)ccc1OCCO ZINC000790956987 723199254 /nfs/dbraw/zinc/19/92/54/723199254.db2.gz ZUBAKJSAMATOHI-NSHDSACASA-N 0 0 369.820 3.415 20 10 FGCDRN Cc1cc(C(=O)N2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000791179572 723217601 /nfs/dbraw/zinc/21/76/01/723217601.db2.gz YYWOYLXJDKALDU-QHFDENQASA-N 0 0 358.507 3.384 20 10 FGCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCSC ZINC000791250246 723222586 /nfs/dbraw/zinc/22/25/86/723222586.db2.gz OMKQLYONGKWUGC-UHFFFAOYSA-N 0 0 352.500 3.128 20 10 FGCDRN C[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)[C@H]1CNC(=O)OC(C)(C)C ZINC000762573839 723256999 /nfs/dbraw/zinc/25/69/99/723256999.db2.gz YZVBJWGSIOXBAP-YPMHNXCESA-N 0 0 354.472 3.219 20 10 FGCDRN CCOc1cccc(/C=C2\SC(=S)N(CCCSC)C2=O)n1 ZINC000763101937 723312927 /nfs/dbraw/zinc/31/29/27/723312927.db2.gz NRQGJUSQVCCZKT-BENRWUELSA-N 0 0 354.522 3.435 20 10 FGCDRN COCc1nnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 ZINC000763338433 723334709 /nfs/dbraw/zinc/33/47/09/723334709.db2.gz MYXOVKNJGCPONZ-VXGBXAGGSA-N 0 0 366.462 3.049 20 10 FGCDRN C/C=C/C[C@H](NCc1cc(Br)cc(C)c1O)C(=O)OCC ZINC000763365845 723337290 /nfs/dbraw/zinc/33/72/90/723337290.db2.gz OGYJESOJLONKFM-YVZNUBBCSA-N 0 0 356.260 3.451 20 10 FGCDRN O=C(N[C@@H]1CCC(F)(F)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000764378161 723409823 /nfs/dbraw/zinc/40/98/23/723409823.db2.gz ZPHYSLCJFGJUIC-CABCVRRESA-N 0 0 354.397 3.271 20 10 FGCDRN CO[C@@]1(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CCOC1 ZINC000764451091 723414002 /nfs/dbraw/zinc/41/40/02/723414002.db2.gz XIMLBJGMYLBOJU-LJQANCHMSA-N 0 0 362.857 3.283 20 10 FGCDRN C[C@H](NC(=O)NCCOCC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000764804994 723448668 /nfs/dbraw/zinc/44/86/68/723448668.db2.gz LQSGCTWFSSHOOZ-NSHDSACASA-N 0 0 365.371 3.030 20 10 FGCDRN O=C(NCc1cccc(Br)c1O)NC[C@@H]1Cc2ccccc21 ZINC000765480693 723516295 /nfs/dbraw/zinc/51/62/95/723516295.db2.gz ZXEJFQJCZXQRBA-ZDUSSCGKSA-N 0 0 361.239 3.294 20 10 FGCDRN Fc1cc(CNc2ncccc2OC(F)F)ccc1N1CCOCC1 ZINC000765944920 723548028 /nfs/dbraw/zinc/54/80/28/723548028.db2.gz VYHYAPNCJCIENV-UHFFFAOYSA-N 0 0 353.344 3.271 20 10 FGCDRN CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000794837769 723548474 /nfs/dbraw/zinc/54/84/74/723548474.db2.gz ZIERBLZBZMPALS-ZYHUDNBSSA-N 0 0 373.266 3.203 20 10 FGCDRN CNC(=O)COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)c(C)c1 ZINC000794838281 723548602 /nfs/dbraw/zinc/54/86/02/723548602.db2.gz AQGYNXSFUARJHT-NSHDSACASA-N 0 0 350.365 3.277 20 10 FGCDRN CN1C(=O)/C(=C\c2ccc(Cl)nc2)c2cc(Br)cnc21 ZINC000794959346 723552988 /nfs/dbraw/zinc/55/29/88/723552988.db2.gz ZQZXCHUOATYDSK-WCIBSUBMSA-N 0 0 350.603 3.410 20 10 FGCDRN Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(Br)c1O ZINC000766207606 723561347 /nfs/dbraw/zinc/56/13/47/723561347.db2.gz RDAITQFKOCJWTP-UHFFFAOYSA-N 0 0 374.231 3.081 20 10 FGCDRN Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ns1 ZINC000766417757 723573168 /nfs/dbraw/zinc/57/31/68/723573168.db2.gz VLDMSVYDMDAIEC-VXGBXAGGSA-N 0 0 363.458 3.134 20 10 FGCDRN CCc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)cc1 ZINC000796190874 723625494 /nfs/dbraw/zinc/62/54/94/723625494.db2.gz LTSHJOAOKQEYBJ-UHFFFAOYSA-N 0 0 370.268 3.196 20 10 FGCDRN O=C(NCCc1ccc(F)cc1)NCc1cc(Br)ccc1O ZINC000796642027 723647881 /nfs/dbraw/zinc/64/78/81/723647881.db2.gz WFYSAYILUNHVSV-UHFFFAOYSA-N 0 0 367.218 3.336 20 10 FGCDRN COCC[C@H]1CCCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000768300508 723653371 /nfs/dbraw/zinc/65/33/71/723653371.db2.gz OHMFBVNSQSJJNV-OAHLLOKOSA-N 0 0 351.466 3.240 20 10 FGCDRN CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000796801715 723655471 /nfs/dbraw/zinc/65/54/71/723655471.db2.gz XVVGFNDBECWIFF-KRWDZBQOSA-N 0 0 351.443 3.317 20 10 FGCDRN COCC[C@@H]1CCCCN(C(=O)NCCCSc2nccs2)C1 ZINC000768393969 723656500 /nfs/dbraw/zinc/65/65/00/723656500.db2.gz LYHMLSJIMHCEHU-AWEZNQCLSA-N 0 0 357.545 3.474 20 10 FGCDRN C[C@H]1CN(Cc2cc(Br)ccc2O)CCN1CC(F)(F)F ZINC000770390135 723712820 /nfs/dbraw/zinc/71/28/20/723712820.db2.gz KKFXFRZEFZMQGC-JTQLQIEISA-N 0 0 367.209 3.223 20 10 FGCDRN COc1nc(N[C@H](C)c2ccc(N(C)C)cc2)ncc1Br ZINC000772297793 723755850 /nfs/dbraw/zinc/75/58/50/723755850.db2.gz MUCKBVOYRJSVLK-SNVBAGLBSA-N 0 0 351.248 3.487 20 10 FGCDRN Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000772775698 723767534 /nfs/dbraw/zinc/76/75/34/723767534.db2.gz OBBBBMKMKQDTLJ-DAXSKMNVSA-N 0 0 361.781 3.255 20 10 FGCDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000772775659 723767573 /nfs/dbraw/zinc/76/75/73/723767573.db2.gz NVRVHTWBYKZXHM-IMAIQDNJSA-N 0 0 361.781 3.335 20 10 FGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H](O)Cc1ccccc1Cl ZINC000773416246 723784256 /nfs/dbraw/zinc/78/42/56/723784256.db2.gz ZIFBWACHEARQMY-LJQANCHMSA-N 0 0 359.853 3.144 20 10 FGCDRN C[C@@H](NC(=O)N(C)Cc1nccn1C(F)F)c1ccc(N(C)C)cc1 ZINC000773622060 723806566 /nfs/dbraw/zinc/80/65/66/723806566.db2.gz QPXIXFCOKOJBBE-GFCCVEGCSA-N 0 0 351.401 3.247 20 10 FGCDRN COc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c(O)c1 ZINC000797622866 723843440 /nfs/dbraw/zinc/84/34/40/723843440.db2.gz YAMZLXSHQJMHDS-UHFFFAOYSA-N 0 0 351.746 3.284 20 10 FGCDRN C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774255531 723875306 /nfs/dbraw/zinc/87/53/06/723875306.db2.gz CZZHILBKOTVYTL-VIFPVBQESA-N 0 0 352.283 3.174 20 10 FGCDRN C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(Cl)c(Cl)cc1O ZINC000774351228 723884900 /nfs/dbraw/zinc/88/49/00/723884900.db2.gz CZCLYARDRMKNPF-SECBINFHSA-N 0 0 357.241 3.157 20 10 FGCDRN C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000774351108 723884983 /nfs/dbraw/zinc/88/49/83/723884983.db2.gz BHLCKPRQQNPDNQ-NXEZZACHSA-N 0 0 352.283 3.317 20 10 FGCDRN C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)c(F)cc1[O-] ZINC000798004981 723897727 /nfs/dbraw/zinc/89/77/27/723897727.db2.gz REACCAMENGFBMZ-GWNMQOMSSA-N 0 0 364.280 3.246 20 10 FGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000775315654 723981402 /nfs/dbraw/zinc/98/14/02/723981402.db2.gz NNXQWOLIDNILRX-OAHLLOKOSA-N 0 0 350.256 3.156 20 10 FGCDRN COCCNC(=S)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000799897145 724108802 /nfs/dbraw/zinc/10/88/02/724108802.db2.gz GNBIFLUMZKVGCX-ZDUSSCGKSA-N 0 0 355.935 3.187 20 10 FGCDRN C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)O1 ZINC000799932960 724114786 /nfs/dbraw/zinc/11/47/86/724114786.db2.gz ZAKUWOOLHBEHAH-IOASZLSFSA-N 0 0 358.404 3.457 20 10 FGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NCc3cc[nH]n3)cc2Cl)C1 ZINC000799939756 724116066 /nfs/dbraw/zinc/11/60/66/724116066.db2.gz OOODJOOALSLXKJ-ZDUSSCGKSA-N 0 0 361.877 3.299 20 10 FGCDRN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)C1=CC(=O)CS1 ZINC000776295188 724129233 /nfs/dbraw/zinc/12/92/33/724129233.db2.gz MBJQAILUBBGMNA-JTQLQIEISA-N 0 0 356.369 3.481 20 10 FGCDRN CN(C)c1ccc(CNS(=O)(=O)/C=C/c2ccccc2F)cc1F ZINC000800032822 724132030 /nfs/dbraw/zinc/13/20/30/724132030.db2.gz 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359.392 3.114 20 10 FGCDRN Cc1ccc(F)c(C(=O)NCCc2ccc(O)c(O)c2)c1Br ZINC000787446283 725028617 /nfs/dbraw/zinc/02/86/17/725028617.db2.gz QKEOTUKGSHOGNG-UHFFFAOYSA-N 0 0 368.202 3.280 20 10 FGCDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(O)c1O ZINC000787468325 725029656 /nfs/dbraw/zinc/02/96/56/725029656.db2.gz JZPABNJKEROVQM-JTQLQIEISA-N 0 0 351.786 3.417 20 10 FGCDRN CCCC[C@H](COC)NC(=O)NCc1cc(Br)ccc1O ZINC000805135404 725052330 /nfs/dbraw/zinc/05/23/30/725052330.db2.gz SLJSJMDHSHRWCB-CYBMUJFWSA-N 0 0 359.264 3.159 20 10 FGCDRN CCSCC[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805164676 725054114 /nfs/dbraw/zinc/05/41/14/725054114.db2.gz RISIEBFTGNGZKA-JTQLQIEISA-N 0 0 361.305 3.486 20 10 FGCDRN CSc1cccc(-n2c(C)cc(C(=O)CN3C[C@@H](O)C[C@@H]3C)c2C)c1 ZINC000788276256 725054366 /nfs/dbraw/zinc/05/43/66/725054366.db2.gz USEYPLDNCNKATF-GUYCJALGSA-N 0 0 358.507 3.454 20 10 FGCDRN C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000788631337 725077285 /nfs/dbraw/zinc/07/72/85/725077285.db2.gz 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CC[C@@H]1CN(Cc2cc(C)cc(Br)c2O)C[C@H](C)[S@@]1=O ZINC000809700469 725260309 /nfs/dbraw/zinc/26/03/09/725260309.db2.gz HDVLFAUQPCEDRB-SCLGINMFSA-N 0 0 360.317 3.195 20 10 FGCDRN O=C(NCc1cccc(Br)c1O)c1cccc2ccc(=O)[nH]c21 ZINC000809798773 725269326 /nfs/dbraw/zinc/26/93/26/725269326.db2.gz RXLCWTPBXYVKCL-UHFFFAOYSA-N 0 0 373.206 3.339 20 10 FGCDRN CC(C)OCc1nc([C@@H](C)NCc2cc(Br)ccc2O)no1 ZINC000811518350 725372194 /nfs/dbraw/zinc/37/21/94/725372194.db2.gz LFICZNXRKAKTDB-SNVBAGLBSA-N 0 0 370.247 3.314 20 10 FGCDRN Cc1cc(O)c(CNc2ccc(C(N)=O)cc2OCC(F)F)cc1C ZINC000811516139 725372220 /nfs/dbraw/zinc/37/22/20/725372220.db2.gz RFACGNHPNZHDEH-UHFFFAOYSA-N 0 0 350.365 3.364 20 10 FGCDRN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811520458 725372317 /nfs/dbraw/zinc/37/23/17/725372317.db2.gz PFPRDFTUWTYLGS-GFCCVEGCSA-N 0 0 356.651 3.452 20 10 FGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000812643810 725401742 /nfs/dbraw/zinc/40/17/42/725401742.db2.gz XXPTUCKCSJEDNP-ZDUSSCGKSA-N 0 0 354.422 3.245 20 10 FGCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000812883718 726820389 /nfs/dbraw/zinc/82/03/89/726820389.db2.gz YCXSXNLRMOTZLI-HXUWFJFHSA-N 0 0 359.853 3.384 20 10 FGCDRN COc1ccc(N2CCN(C(=O)c3c(Cl)cncc3Cl)CC2)cc1 ZINC000814211126 726948250 /nfs/dbraw/zinc/94/82/50/726948250.db2.gz PXDSSNDUCVDIOL-UHFFFAOYSA-N 0 0 366.248 3.359 20 10 FGCDRN C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815600109 727085626 /nfs/dbraw/zinc/08/56/26/727085626.db2.gz LSBAOHYANZYJMU-NSHDSACASA-N 0 0 365.417 3.277 20 10 FGCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C1(S(C)(=O)=O)CC1 ZINC000815625651 727087213 /nfs/dbraw/zinc/08/72/13/727087213.db2.gz JLVSAQRDMUHOAK-VHSXEESVSA-N 0 0 351.390 3.027 20 10 FGCDRN COc1ccc(O)c(CNC(=O)c2cccc(F)c2Br)c1 ZINC000815835576 727101104 /nfs/dbraw/zinc/10/11/04/727101104.db2.gz YCRHNGGMBYIWFX-UHFFFAOYSA-N 0 0 354.175 3.232 20 10 FGCDRN CS(=O)(=O)NCc1ccc(NCc2ccc3ccccc3c2O)cc1 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3.463 20 10 FGCDRN C[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)Sc1ccccc1 ZINC000819168429 727354245 /nfs/dbraw/zinc/35/42/45/727354245.db2.gz PVGBDHAJSDDDBY-AWEZNQCLSA-N 0 0 356.447 3.337 20 10 FGCDRN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CSc2ccccc21 ZINC000819170058 727354471 /nfs/dbraw/zinc/35/44/71/727354471.db2.gz STYHFNMIUPSROL-CQSZACIVSA-N 0 0 354.431 3.046 20 10 FGCDRN CCSc1cccc(CN2C(=O)CN(Cc3ccccc3O)C2=O)c1 ZINC000819169730 727354562 /nfs/dbraw/zinc/35/45/62/727354562.db2.gz NWGOXXYKSLFMER-UHFFFAOYSA-N 0 0 356.447 3.469 20 10 FGCDRN COc1ccc(N2CC[C@H](CNC(=O)/C=C/c3scnc3C)C2)cc1 ZINC000819590754 727383804 /nfs/dbraw/zinc/38/38/04/727383804.db2.gz YNXQVHYMVTYRIU-MVGZEHJDSA-N 0 0 357.479 3.116 20 10 FGCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1sccc1Cl ZINC000819697902 727389584 /nfs/dbraw/zinc/38/95/84/727389584.db2.gz DYQQFCKBOJTAKD-UHFFFAOYSA-N 0 0 353.827 3.313 20 10 FGCDRN COC(=O)c1nc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)sc1C ZINC000819934829 728955032 /nfs/dbraw/zinc/95/50/32/728955032.db2.gz 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ZINC000171807537 496043800 /nfs/dbraw/zinc/04/38/00/496043800.db2.gz CZOKJMXVCFSMMP-FMIVXFBMSA-N 0 0 366.461 3.204 20 10 FGCDRN C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Br)cc(F)c1[O-] ZINC000183846193 496135274 /nfs/dbraw/zinc/13/52/74/496135274.db2.gz XPOYWRPJGLGERN-VIFPVBQESA-N 0 0 369.238 3.072 20 10 FGCDRN Cc1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C(C)C)n1 ZINC000172127439 496177559 /nfs/dbraw/zinc/17/75/59/496177559.db2.gz LDRBIDDJVUWUPF-UHFFFAOYSA-N 0 0 368.481 3.017 20 10 FGCDRN C=CC(=O)NCc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000156330756 496217662 /nfs/dbraw/zinc/21/76/62/496217662.db2.gz ILGHZDLCORAOSQ-UHFFFAOYSA-N 0 0 364.445 3.003 20 10 FGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1nccs1)c1ccccc1 ZINC000181043112 496250125 /nfs/dbraw/zinc/25/01/25/496250125.db2.gz WGBDLCOTKHMZHC-PDFOZTTASA-N 0 0 352.415 3.473 20 10 FGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000153259949 496399698 /nfs/dbraw/zinc/39/96/98/496399698.db2.gz MVDPLZWMJBJLDB-IBGZPJMESA-N 0 0 355.438 3.242 20 10 FGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1=NN(C)C(=O)CC1 ZINC000181583946 496455775 /nfs/dbraw/zinc/45/57/75/496455775.db2.gz UADWZELFKIZDGM-OAHLLOKOSA-N 0 0 365.433 3.090 20 10 FGCDRN COc1cc(Cl)cc(CN(C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000184703466 496499338 /nfs/dbraw/zinc/49/93/38/496499338.db2.gz BONULVDYPIMGEP-UHFFFAOYSA-N 0 0 363.767 3.439 20 10 FGCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1ccccc1S(=O)(=O)CC ZINC000178673291 496536981 /nfs/dbraw/zinc/53/69/81/496536981.db2.gz ZCRPZKGKKXWRLI-KHPPLWFESA-N 0 0 358.463 3.250 20 10 FGCDRN COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000184852963 496558943 /nfs/dbraw/zinc/55/89/43/496558943.db2.gz NLURDOHGZWLBBV-YOEHRIQHSA-N 0 0 362.495 3.186 20 10 FGCDRN C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000185086736 496653234 /nfs/dbraw/zinc/65/32/34/496653234.db2.gz FJKWZSFPSQAOKU-CQSZACIVSA-N 0 0 351.443 3.187 20 10 FGCDRN COCCC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000185133226 496675114 /nfs/dbraw/zinc/67/51/14/496675114.db2.gz SRABQEWEZRBLOG-QGZVFWFLSA-N 0 0 364.486 3.146 20 10 FGCDRN COCc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000277405560 496762202 /nfs/dbraw/zinc/76/22/02/496762202.db2.gz QHHONUKVPCDEHN-UHFFFAOYSA-N 0 0 374.824 3.156 20 10 FGCDRN Cc1cc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)c(C)n1-c1ccccc1C ZINC000277449719 496777171 /nfs/dbraw/zinc/77/71/71/496777171.db2.gz FUORKCDRNMKEFN-CPJLOUKISA-N 0 0 358.507 3.386 20 10 FGCDRN C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273350645 496781090 /nfs/dbraw/zinc/78/10/90/496781090.db2.gz BPPKUXRXLYERLI-NSHDSACASA-N 0 0 358.373 3.220 20 10 FGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(C)c(C(=O)N(C)C)c2)c1 ZINC000273374592 496788002 /nfs/dbraw/zinc/78/80/02/496788002.db2.gz BCPOBLBEAOSIJK-CYBMUJFWSA-N 0 0 356.422 3.362 20 10 FGCDRN Cc1ncc(C(=O)NCc2cccc(Br)c2O)c(C(C)C)n1 ZINC000277532965 496804027 /nfs/dbraw/zinc/80/40/27/496804027.db2.gz MQKMIALOFIBLFA-UHFFFAOYSA-N 0 0 364.243 3.307 20 10 FGCDRN CC(=O)[C@@H]1C[C@H](CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000273436693 496805980 /nfs/dbraw/zinc/80/59/80/496805980.db2.gz AEUVCNLBGSYNKJ-QUCCMNQESA-N 0 0 372.509 3.123 20 10 FGCDRN CCOc1cc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])ccc1OC ZINC000273464283 496813826 /nfs/dbraw/zinc/81/38/26/496813826.db2.gz DLFYIXCVGMIGGK-CYBMUJFWSA-N 0 0 359.422 3.437 20 10 FGCDRN CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000273607968 496853184 /nfs/dbraw/zinc/85/31/84/496853184.db2.gz UWLRPYKKHMZZOX-HNNXBMFYSA-N 0 0 371.456 3.051 20 10 FGCDRN CC1CCN(c2ccc(CNC(=O)c3cnn(C)c3C3CC3)cc2)CC1 ZINC000264461409 496905092 /nfs/dbraw/zinc/90/50/92/496905092.db2.gz KMQXAESWNCIMNC-UHFFFAOYSA-N 0 0 352.482 3.464 20 10 FGCDRN CCC(=O)N(C)c1ccccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188904696 496942295 /nfs/dbraw/zinc/94/22/95/496942295.db2.gz ZRFNEJOEYDMMCG-UHFFFAOYSA-N 0 0 367.449 3.165 20 10 FGCDRN COc1ccccc1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248121547 496956145 /nfs/dbraw/zinc/95/61/45/496956145.db2.gz FEYIOSYTEBJVSE-GOSISDBHSA-N 0 0 355.434 3.151 20 10 FGCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1CCCc2cccnc21 ZINC000278003862 496968248 /nfs/dbraw/zinc/96/82/48/496968248.db2.gz RASSUMNNWQXHFD-CYBMUJFWSA-N 0 0 361.239 3.286 20 10 FGCDRN CCc1onc(C)c1NC(=O)NCc1cccc(Br)c1O ZINC000278027193 496977582 /nfs/dbraw/zinc/97/75/82/496977582.db2.gz LGXKKBLHFYHHQP-UHFFFAOYSA-N 0 0 354.204 3.335 20 10 FGCDRN Cc1csc(C2(NCC(=O)N(C)Cc3ccc(N(C)C)cc3)CCC2)n1 ZINC000273973425 496978252 /nfs/dbraw/zinc/97/82/52/496978252.db2.gz HVHQZMJUFOFNHU-UHFFFAOYSA-N 0 0 372.538 3.145 20 10 FGCDRN Cc1csc(C(C)(C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000269653156 496984475 /nfs/dbraw/zinc/98/44/75/496984475.db2.gz RBFQFYBJGGSNBL-UHFFFAOYSA-N 0 0 360.527 3.001 20 10 FGCDRN Cc1cnccc1CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270022972 497043153 /nfs/dbraw/zinc/04/31/53/497043153.db2.gz FIMBLPGSFOZJCA-UHFFFAOYSA-N 0 0 352.482 3.373 20 10 FGCDRN COc1c([O-])c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278312378 497071080 /nfs/dbraw/zinc/07/10/80/497071080.db2.gz XDHWRODDFDPKHM-GOSISDBHSA-N 0 0 372.421 3.255 20 10 FGCDRN CO[C@](C)(C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1F ZINC000192361490 497088743 /nfs/dbraw/zinc/08/87/43/497088743.db2.gz GNYXEBZGNJLBGP-FQEVSTJZSA-N 0 0 358.413 3.179 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1OCCC(N)=O ZINC000265504219 497130251 /nfs/dbraw/zinc/13/02/51/497130251.db2.gz PWJBCQQJXSIPRB-UHFFFAOYSA-N 0 0 371.437 3.091 20 10 FGCDRN COc1c([O-])c(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000278493249 497134192 /nfs/dbraw/zinc/13/41/92/497134192.db2.gz LVHDVWATQYXJGX-MRXNPFEDSA-N 0 0 374.437 3.201 20 10 FGCDRN CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1 ZINC000278510738 497138935 /nfs/dbraw/zinc/13/89/35/497138935.db2.gz PTLUDGOKGHRVIT-HOCLYGCPSA-N 0 0 352.431 3.382 20 10 FGCDRN COc1cc(NCc2ccc(N3CCOCC3)cc2)c(F)cc1[N+](=O)[O-] ZINC000270555433 497149451 /nfs/dbraw/zinc/14/94/51/497149451.db2.gz IRZMRGDYJYXSPE-UHFFFAOYSA-N 0 0 361.373 3.191 20 10 FGCDRN CCNC(=O)Nc1ccc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278623924 497172058 /nfs/dbraw/zinc/17/20/58/497172058.db2.gz KGVVTUQFGZBRQC-UHFFFAOYSA-N 0 0 374.397 3.371 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000274942247 497202581 /nfs/dbraw/zinc/20/25/81/497202581.db2.gz NYWPTQKYHQJLAX-QGZVFWFLSA-N 0 0 370.501 3.049 20 10 FGCDRN COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cc(OC)c(OC)cc1O)N2 ZINC000271049056 497252995 /nfs/dbraw/zinc/25/29/95/497252995.db2.gz NZFJYKLWVMCQQC-LJQANCHMSA-N 0 0 370.405 3.147 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000278930469 497271664 /nfs/dbraw/zinc/27/16/64/497271664.db2.gz HZUXYKQXQDJEND-QGZVFWFLSA-N 0 0 358.442 3.421 20 10 FGCDRN Nc1ccc(CC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000237886663 497308470 /nfs/dbraw/zinc/30/84/70/497308470.db2.gz NFSRFXQJHYIKRO-HXUWFJFHSA-N 0 0 358.869 3.437 20 10 FGCDRN Nc1ccc(CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1 ZINC000237908208 497312852 /nfs/dbraw/zinc/31/28/52/497312852.db2.gz IKDCTEYRTKEMDG-UHFFFAOYSA-N 0 0 351.450 3.256 20 10 FGCDRN Cc1cc(C(=O)N(C)CCc2cnccn2)c(C)n1-c1ccc(F)cc1 ZINC000271421299 497344590 /nfs/dbraw/zinc/34/45/90/497344590.db2.gz VCGIIGNHIBOROX-UHFFFAOYSA-N 0 0 352.413 3.338 20 10 FGCDRN CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000271469416 497356316 /nfs/dbraw/zinc/35/63/16/497356316.db2.gz RADDUKIVZQGEHU-GDBMZVCRSA-N 0 0 363.477 3.259 20 10 FGCDRN CCc1csc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000279473459 497448304 /nfs/dbraw/zinc/44/83/04/497448304.db2.gz NFFOZTBNSISRLU-MRXNPFEDSA-N 0 0 360.479 3.161 20 10 FGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccnn1C(C)(C)C ZINC000190467356 497491517 /nfs/dbraw/zinc/49/15/17/497491517.db2.gz XWJWAKKWWGEPHI-UHFFFAOYSA-N 0 0 371.485 3.139 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190539254 497521239 /nfs/dbraw/zinc/52/12/39/497521239.db2.gz LHSGPGKILTUEEW-QGZVFWFLSA-N 0 0 352.434 3.304 20 10 FGCDRN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000272065225 497526390 /nfs/dbraw/zinc/52/63/90/497526390.db2.gz KNKOXPSXCKPPGQ-QLFBSQMISA-N 0 0 368.424 3.188 20 10 FGCDRN C[C@@H](NC(=O)c1cccc(O)c1O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000279854505 497564835 /nfs/dbraw/zinc/56/48/35/497564835.db2.gz PFMXOEHEFRNNBJ-VLIAUNLRSA-N 0 0 371.433 3.153 20 10 FGCDRN O=C(c1ccoc1)N1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000190745698 497592675 /nfs/dbraw/zinc/59/26/75/497592675.db2.gz IZJUXWQOESGVMZ-UHFFFAOYSA-N 0 0 352.793 3.172 20 10 FGCDRN Cc1cc(C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c(C)n1-c1ccccc1 ZINC000267670630 497598048 /nfs/dbraw/zinc/59/80/48/497598048.db2.gz LFMMETVPANNNCD-HXUWFJFHSA-N 0 0 364.449 3.041 20 10 FGCDRN CN(C)c1ccc(CN[C@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000280063809 497636211 /nfs/dbraw/zinc/63/62/11/497636211.db2.gz YPVOJTOXEHJJJU-INIZCTEOSA-N 0 0 369.362 3.227 20 10 FGCDRN CC(=O)Nc1cccc2c1CCCN2Cc1cn(C)nc1-c1cccnc1 ZINC000272521977 497650868 /nfs/dbraw/zinc/65/08/68/497650868.db2.gz LLCGRGQMABMOHL-UHFFFAOYSA-N 0 0 361.449 3.393 20 10 FGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1OCC(F)F ZINC000190978416 497669556 /nfs/dbraw/zinc/66/95/56/497669556.db2.gz RJUNKVLLEWTOTH-LLVKDONJSA-N 0 0 366.364 3.494 20 10 FGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(N)cc2)cc1 ZINC000272661313 497694192 /nfs/dbraw/zinc/69/41/92/497694192.db2.gz HWOKEGNZKYSJIQ-HXUWFJFHSA-N 0 0 353.466 3.156 20 10 FGCDRN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000272727730 497715053 /nfs/dbraw/zinc/71/50/53/497715053.db2.gz JFSZFGIRFNGMAG-OAHLLOKOSA-N 0 0 365.433 3.369 20 10 FGCDRN Cn1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2c1=O ZINC000277015733 497716522 /nfs/dbraw/zinc/71/65/22/497716522.db2.gz BYRCZGIFMDPQKW-UHFFFAOYSA-N 0 0 361.445 3.069 20 10 FGCDRN COC[C@@H](NC(=O)NCc1cccc(OC)c1O)c1ccc(Cl)cc1 ZINC000194661869 497733049 /nfs/dbraw/zinc/73/30/49/497733049.db2.gz 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COC(=O)c1ccc(NCc2cc(Br)ccc2O)nc1C ZINC000804828363 724554899 /nfs/dbraw/zinc/55/48/99/724554899.db2.gz OQWZXORKDCCXRD-UHFFFAOYSA-N 0 0 351.200 3.257 20 10 FGCDRN CCC[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000804871531 724559672 /nfs/dbraw/zinc/55/96/72/724559672.db2.gz LOTXKIIIHWXLNE-UHFFFAOYSA-N 0 0 360.285 3.373 20 10 FGCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000781635616 724581131 /nfs/dbraw/zinc/58/11/31/724581131.db2.gz ICMZGIWBBOVVOE-GOSISDBHSA-N 0 0 362.267 3.387 20 10 FGCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000781625482 724579764 /nfs/dbraw/zinc/57/97/64/724579764.db2.gz ZDIBLMBSJMFGGH-CQSZACIVSA-N 0 0 353.260 3.449 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1F ZINC000782576621 724684064 /nfs/dbraw/zinc/68/40/64/724684064.db2.gz WHYWYKZBCLSMBG-KKUMJFAQSA-N 0 0 351.466 3.379 20 10 FGCDRN COc1ccc(N2CCN(C(=O)NCC(C)(C)C(C)C)CC2)cc1F ZINC000782637299 724688362 /nfs/dbraw/zinc/68/83/62/724688362.db2.gz 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ZINC000748485230 722693790 /nfs/dbraw/zinc/69/37/90/722693790.db2.gz FFSULTUSYHHQMQ-UHFFFAOYSA-N 0 0 374.487 3.126 20 10 FGCDRN COc1cc(OC)c(NC(=O)NCc2ccc(O)c(O)c2)cc1Cl ZINC000749023371 722712961 /nfs/dbraw/zinc/71/29/61/722712961.db2.gz WNMDWPCGIOLDAA-UHFFFAOYSA-N 0 0 352.774 3.090 20 10 FGCDRN CN(c1ccc(CNC(=S)NC[C@H]2CCOC2)cc1)C1CCCCC1 ZINC000749684520 722736739 /nfs/dbraw/zinc/73/67/39/722736739.db2.gz DITHHLHMEJRMJB-QGZVFWFLSA-N 0 0 361.555 3.456 20 10 FGCDRN CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CN2CCCC2=O)c1O ZINC000750045985 722752716 /nfs/dbraw/zinc/75/27/16/722752716.db2.gz ZECLKEYUZQVRKR-MRXNPFEDSA-N 0 0 364.873 3.225 20 10 FGCDRN Cc1cc(C(=O)N(CC(N)=O)CC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000751318431 722801540 /nfs/dbraw/zinc/80/15/40/722801540.db2.gz DCIVFMQVUSPZRB-UHFFFAOYSA-N 0 0 361.873 3.331 20 10 FGCDRN Nc1ccc(Cc2nc(C(=O)OCc3nnsc3Cl)cs2)cc1 ZINC000751930951 722836100 /nfs/dbraw/zinc/83/61/00/722836100.db2.gz LMHFITYZHQHVPS-UHFFFAOYSA-N 0 0 366.855 3.178 20 10 FGCDRN COc1ccc(N2CCC(NC(=O)C(F)(F)c3nccs3)CC2)cc1 ZINC000756448038 722964789 /nfs/dbraw/zinc/96/47/89/722964789.db2.gz QEGGHMPYUTUTIC-UHFFFAOYSA-N 0 0 367.421 3.029 20 10 FGCDRN Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756461098 722965037 /nfs/dbraw/zinc/96/50/37/722965037.db2.gz SDGTVLSIDLXILM-ZFWWWQNUSA-N 0 0 351.393 3.378 20 10 FGCDRN C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])N1CCc2sccc2C1 ZINC000756471703 722965162 /nfs/dbraw/zinc/96/51/62/722965162.db2.gz WOAJBIDPWDWFMS-STQMWFEESA-N 0 0 361.467 3.459 20 10 FGCDRN COC(=O)CCSc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000756480654 722965333 /nfs/dbraw/zinc/96/53/33/722965333.db2.gz GJANBQQEPFRJRT-UHFFFAOYSA-N 0 0 360.435 3.369 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000756478897 722965379 /nfs/dbraw/zinc/96/53/79/722965379.db2.gz GOQQQQIHARAOKJ-NSHDSACASA-N 0 0 362.813 3.122 20 10 FGCDRN C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(Br)cc(F)c1[O-] ZINC000756494373 722965521 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O=C(c1c(F)ccc(O)c1O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846659293 730971426 /nfs/dbraw/zinc/97/14/26/730971426.db2.gz LSMBQMJYMKDHJR-GOSISDBHSA-N 0 0 365.788 3.014 20 10 FGCDRN COc1ccc(CNC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)c(O)c1 ZINC000846950394 730998516 /nfs/dbraw/zinc/99/85/16/730998516.db2.gz OPIHJYSJXDXJHN-OAHLLOKOSA-N 0 0 351.443 3.021 20 10 FGCDRN CC[C@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1CCCCO1 ZINC000847440576 731055792 /nfs/dbraw/zinc/05/57/92/731055792.db2.gz HYMFYEFCAQQCOR-KBPBESRZSA-N 0 0 371.275 3.302 20 10 FGCDRN Cc1[nH]c(=O)[nH]c1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000848035951 731124149 /nfs/dbraw/zinc/12/41/49/731124149.db2.gz DQCVRFZUBFWUQW-LLVKDONJSA-N 0 0 362.861 3.243 20 10 FGCDRN CC(C)(C)n1ccc(C(=O)NCc2cc(Br)ccc2O)n1 ZINC000848069406 731127129 /nfs/dbraw/zinc/12/71/29/731127129.db2.gz WEEYZNKPEKQVIR-UHFFFAOYSA-N 0 0 352.232 3.036 20 10 FGCDRN COC[C@H](CC(C)(C)C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000848434922 731164778 /nfs/dbraw/zinc/16/47/78/731164778.db2.gz OCNVKBPWFBRQGJ-HNNXBMFYSA-N 0 0 361.511 3.497 20 10 FGCDRN CC[C@@H](NCc1nnn(C(C)(C)C)n1)c1ccc(C(F)(F)F)cc1O ZINC000848561308 731181756 /nfs/dbraw/zinc/18/17/56/731181756.db2.gz VCEKUJCCJGIQQD-GFCCVEGCSA-N 0 0 357.380 3.393 20 10 FGCDRN FC(F)(F)[C@@H](C[C@H]1CCCO1)NCc1ccc(N2CCOCC2)cc1 ZINC000848570046 731183486 /nfs/dbraw/zinc/18/34/86/731183486.db2.gz JEJXPYHVUXZRRK-IAGOWNOFSA-N 0 0 358.404 3.113 20 10 FGCDRN C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639290 731190532 /nfs/dbraw/zinc/19/05/32/731190532.db2.gz GOZUHGXAUGAQSG-JIMOISOXSA-N 0 0 356.260 3.380 20 10 FGCDRN COc1ccc(N2CC[C@@H](NC(=S)Nc3ccccc3OC)C2)cc1 ZINC000849271096 731239647 /nfs/dbraw/zinc/23/96/47/731239647.db2.gz AEIHJRAXDSMSEV-CQSZACIVSA-N 0 0 357.479 3.269 20 10 FGCDRN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C[C@H]1c1ccccc1Cl ZINC000849365239 731252221 /nfs/dbraw/zinc/25/22/21/731252221.db2.gz JBHCHYTUBDNHSC-GOEBONIOSA-N 0 0 356.809 3.366 20 10 FGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000849370342 731252939 /nfs/dbraw/zinc/25/29/39/731252939.db2.gz ZBOWLGATLNZFFO-ZDUSSCGKSA-N 0 0 366.449 3.493 20 10 FGCDRN C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850497333 731364518 /nfs/dbraw/zinc/36/45/18/731364518.db2.gz UHFGGTMLCMNSPS-MEFFNOMFSA-N 0 0 363.323 3.373 20 10 FGCDRN CCS(=O)(=O)N(C)c1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000850549516 731372072 /nfs/dbraw/zinc/37/20/72/731372072.db2.gz IFIBASCOUCEFQZ-GFCCVEGCSA-N 0 0 352.431 3.490 20 10 FGCDRN COc1cc(N(C)Cc2nnc(C(F)(F)F)s2)cc(OC)c1OC ZINC000851785198 731497680 /nfs/dbraw/zinc/49/76/80/731497680.db2.gz ZHQZBHKELNSKQV-UHFFFAOYSA-N 0 0 363.361 3.219 20 10 FGCDRN CCc1ccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000851961051 731525002 /nfs/dbraw/zinc/52/50/02/731525002.db2.gz VGJGMSPILRAGLM-AWEZNQCLSA-N 0 0 359.495 3.397 20 10 FGCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000852430272 731582886 /nfs/dbraw/zinc/58/28/86/731582886.db2.gz DXQOLDRXEKIVST-AWEZNQCLSA-N 0 0 359.857 3.371 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCCC[C@H]3C(F)F)C2)cc1 ZINC000852452458 731585295 /nfs/dbraw/zinc/58/52/95/731585295.db2.gz YECHOYZIKKLSNA-BBRMVZONSA-N 0 0 353.413 3.103 20 10 FGCDRN C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC000852702195 731622285 /nfs/dbraw/zinc/62/22/85/731622285.db2.gz HYRGNEFYEGLLKX-LLVKDONJSA-N 0 0 371.865 3.100 20 10 FGCDRN COC[C@](C)(NCc1ccc(N2CCC(OC)CC2)cc1)C(F)(F)F ZINC000852718466 731623989 /nfs/dbraw/zinc/62/39/89/731623989.db2.gz MYZFTBAVLUABNQ-KRWDZBQOSA-N 0 0 360.420 3.359 20 10 FGCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@H](CC(F)(F)F)C2)c1O ZINC000852742950 731629051 /nfs/dbraw/zinc/62/90/51/731629051.db2.gz XLGVWQOAHZJJMA-GFCCVEGCSA-N 0 0 351.752 3.401 20 10 FGCDRN CC1(C)Cc2n[nH]cc2CN(C(=O)NCCCSc2nccs2)C1 ZINC000852975077 731647248 /nfs/dbraw/zinc/64/72/48/731647248.db2.gz GWPQHPCWRKYVCA-UHFFFAOYSA-N 0 0 365.528 3.143 20 10 FGCDRN COC(=O)c1cc2ccccc2c(CN(C)Cc2nnc(C)s2)c1O ZINC000853617575 731732445 /nfs/dbraw/zinc/73/24/45/731732445.db2.gz FXNMPECSMPBKKL-UHFFFAOYSA-N 0 0 357.435 3.124 20 10 FGCDRN CC(C)[C@@H](NC(=O)NCCCSc1nccs1)C1(CO)CC=CC1 ZINC000853856198 731763437 /nfs/dbraw/zinc/76/34/37/731763437.db2.gz SVLOYRSXXXJYBG-CQSZACIVSA-N 0 0 369.556 3.278 20 10 FGCDRN Cn1ncc(C2CCC2)c1CNC(=O)NCCCSc1nccs1 ZINC000853859473 731763762 /nfs/dbraw/zinc/76/37/62/731763762.db2.gz WCMYZCLKFODANA-UHFFFAOYSA-N 0 0 365.528 3.126 20 10 FGCDRN OC1CCN(c2ccc(CNc3ncccc3Br)cc2)CC1 ZINC000853955137 731777367 /nfs/dbraw/zinc/77/73/67/731777367.db2.gz GTNDEVGVRTURHM-UHFFFAOYSA-N 0 0 362.271 3.417 20 10 FGCDRN OC1CCN(c2ccc(CNc3cncc(Br)c3)cc2)CC1 ZINC000853956103 731777885 /nfs/dbraw/zinc/77/78/85/731777885.db2.gz QVFWUSHVWRDLKD-UHFFFAOYSA-N 0 0 362.271 3.417 20 10 FGCDRN C[C@@H](CNC(=O)NCc1cccc(Br)c1O)c1ccccn1 ZINC000854258498 731809959 /nfs/dbraw/zinc/80/99/59/731809959.db2.gz DXKLHDGVGGQWDS-NSHDSACASA-N 0 0 364.243 3.153 20 10 FGCDRN CO[C@@H](C(=O)NCc1cc(Br)ccc1O)C1CCCCC1 ZINC000854442923 731829046 /nfs/dbraw/zinc/82/90/46/731829046.db2.gz YVPDJIWZPLTQEW-OAHLLOKOSA-N 0 0 356.260 3.366 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(Cl)nc(Cl)c3)C2)cc1 ZINC000855229188 731909060 /nfs/dbraw/zinc/90/90/60/731909060.db2.gz KSLRZOHOEMIGLO-LBPRGKRZSA-N 0 0 366.248 3.406 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)CSc3ccc(F)cc3)C2)cc1 ZINC000855228757 731909108 /nfs/dbraw/zinc/90/91/08/731909108.db2.gz GAJNQAQLXDXSTA-HNNXBMFYSA-N 0 0 360.454 3.322 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(Cl)c(Cl)n3C)C2)cc1 ZINC000855232324 731909416 /nfs/dbraw/zinc/90/94/16/731909416.db2.gz PSOUNGIXPYHYOQ-NSHDSACASA-N 0 0 368.264 3.349 20 10 FGCDRN CC(C)(C)OC(=O)N1CC(N(C(=O)C2=CC(=O)CS2)C2CCC2)C1 ZINC000855534909 731935383 /nfs/dbraw/zinc/93/53/83/731935383.db2.gz RHLAJYZDKPMLNR-UHFFFAOYSA-N 0 0 352.456 3.068 20 10 FGCDRN Cc1cc(C(=O)N2CCC(=O)N(C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000855914916 731967177 /nfs/dbraw/zinc/96/71/77/731967177.db2.gz URYAQPUJGPYIEE-UHFFFAOYSA-N 0 0 359.857 3.052 20 10 FGCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1F ZINC000856208429 731995784 /nfs/dbraw/zinc/99/57/84/731995784.db2.gz OLAGUDXCFNXLNC-UHFFFAOYSA-N 0 0 362.832 3.370 20 10 FGCDRN O=C(NCC[C@H]1CC1(Cl)Cl)NCc1ccc(N2CC=CC2)cc1 ZINC000856836291 732068808 /nfs/dbraw/zinc/06/88/08/732068808.db2.gz JQPLIXVRSHTJPL-AWEZNQCLSA-N 0 0 354.281 3.446 20 10 FGCDRN Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000857061427 732099336 /nfs/dbraw/zinc/09/93/36/732099336.db2.gz QLCSJEBBAANJEL-KRWDZBQOSA-N 0 0 370.280 3.378 20 10 FGCDRN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccns1 ZINC000858154954 732186718 /nfs/dbraw/zinc/18/67/18/732186718.db2.gz WOXQKALAIRVPIZ-ZDUSSCGKSA-N 0 0 362.524 3.257 20 10 FGCDRN Cc1cc(CNC(=O)NCc2nnc(C)s2)c(C)n1-c1ccccc1 ZINC000858352942 732206493 /nfs/dbraw/zinc/20/64/93/732206493.db2.gz HRBAIUFVMPJTAE-UHFFFAOYSA-N 0 0 355.467 3.253 20 10 FGCDRN CCO[C@H](CS(=O)(=O)N(C)Cc1ccc(N(CC)CC)cc1)C1CC1 ZINC000858888758 732256112 /nfs/dbraw/zinc/25/61/12/732256112.db2.gz ANBROGIEBZXNQA-LJQANCHMSA-N 0 0 368.543 3.110 20 10 FGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)cc1F ZINC000859966028 732425282 /nfs/dbraw/zinc/42/52/82/732425282.db2.gz NHMMAZWXJJJUFR-JKSUJKDBSA-N 0 0 360.454 3.348 20 10 FGCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CSC[C@H]2C)cc1 ZINC000861673358 732718619 /nfs/dbraw/zinc/71/86/19/732718619.db2.gz YSRXGOXNHLYUNF-YJYMSZOUSA-N 0 0 356.491 3.317 20 10 FGCDRN CN(C)c1cc(F)c(CN2CCCN(CC(F)(F)F)CC2)cc1F ZINC000862217966 732787706 /nfs/dbraw/zinc/78/77/06/732787706.db2.gz ZLSZKSRHMCWARE-UHFFFAOYSA-N 0 0 351.363 3.101 20 10 FGCDRN COc1ccccc1N(CCO)Cc1c(O)cccc1Br ZINC000862371900 732818716 /nfs/dbraw/zinc/81/87/16/732818716.db2.gz NQEQADMYVKNZHC-UHFFFAOYSA-N 0 0 352.228 3.162 20 10 FGCDRN CN(Cc1csc(C(C)(C)O)n1)Cc1c(O)cccc1Br ZINC000862386939 732821259 /nfs/dbraw/zinc/82/12/59/732821259.db2.gz DXQLJLCMFYOBHX-UHFFFAOYSA-N 0 0 371.300 3.471 20 10 FGCDRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862755284 732872379 /nfs/dbraw/zinc/87/23/79/732872379.db2.gz QAIJOASETDOVSL-CQSZACIVSA-N 0 0 350.459 3.352 20 10 FGCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000862759210 732872805 /nfs/dbraw/zinc/87/28/05/732872805.db2.gz YJPRYAAPNKUBOK-MRXNPFEDSA-N 0 0 358.825 3.023 20 10 FGCDRN CCOC(=O)[C@@H](Cc1ccc(F)cc1)Sc1ncc(C(=O)OC)s1 ZINC000863339380 732948201 /nfs/dbraw/zinc/94/82/01/732948201.db2.gz CBQONOIFLMMPQW-GFCCVEGCSA-N 0 0 369.439 3.335 20 10 FGCDRN CCOc1cccc(/C=C2/SC(=S)N(Cc3cc(C)on3)C2=O)n1 ZINC000864356955 733049261 /nfs/dbraw/zinc/04/92/61/733049261.db2.gz SNPAISVKHTUEGR-MDWZMJQESA-N 0 0 361.448 3.178 20 10 FGCDRN O=C1/C(=C/c2ccnn2CC2CCC2)SC(=S)N1c1cccnc1 ZINC000864362614 733049589 /nfs/dbraw/zinc/04/95/89/733049589.db2.gz HOCRYQJBKYEHFA-DHDCSXOGSA-N 0 0 356.476 3.484 20 10 FGCDRN COCc1sccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000865018624 733129329 /nfs/dbraw/zinc/12/93/29/733129329.db2.gz NIIIFBYZYGCFQW-CQSZACIVSA-N 0 0 360.479 3.222 20 10 FGCDRN C[C@@H](C(=O)NCCCSc1nccs1)n1ccc(C(F)(F)F)n1 ZINC000865784524 733269564 /nfs/dbraw/zinc/26/95/64/733269564.db2.gz ZLZLTZAQBKPYMU-VIFPVBQESA-N 0 0 364.418 3.218 20 10 FGCDRN CCOCCCCCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000866460555 733352484 /nfs/dbraw/zinc/35/24/84/733352484.db2.gz JYVFXGZZDKTSNC-UHFFFAOYSA-N 0 0 352.450 3.080 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCC1(O)CCC1 ZINC000866603523 733372930 /nfs/dbraw/zinc/37/29/30/733372930.db2.gz OBPPIKXTVLVNNR-UHFFFAOYSA-N 0 0 356.260 3.198 20 10 FGCDRN C[C@@H]([NH2+]Cc1ncc(Br)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866620481 733375075 /nfs/dbraw/zinc/37/50/75/733375075.db2.gz OGFRKSDMGUYBQV-SSDOTTSWSA-N 0 0 358.217 3.370 20 10 FGCDRN C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000866628670 733376235 /nfs/dbraw/zinc/37/62/35/733376235.db2.gz LVCSXJDHLBRKHM-QMMMGPOBSA-N 0 0 370.236 3.118 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)c2sc([C@@H]3CCOC3)nc2C)c1 ZINC000866764766 733393461 /nfs/dbraw/zinc/39/34/61/733393461.db2.gz OUBKXNFTJKOGGY-CMPLNLGQSA-N 0 0 362.451 3.161 20 10 FGCDRN Nc1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)cc1 ZINC000868060618 733551714 /nfs/dbraw/zinc/55/17/14/733551714.db2.gz AHWYIIIWCFLJAN-IXDOHACOSA-N 0 0 357.251 3.233 20 10 FGCDRN CCn1cc(C(=O)NCc2cc(Br)ccc2O)c(C2CC2)n1 ZINC000868307062 733580870 /nfs/dbraw/zinc/58/08/70/733580870.db2.gz MZFLFRVWUVVVEI-UHFFFAOYSA-N 0 0 364.243 3.179 20 10 FGCDRN C[C@H](NC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000868665573 733625370 /nfs/dbraw/zinc/62/53/70/733625370.db2.gz VXWXPHUSIOHXNC-AVGNSLFASA-N 0 0 351.447 3.054 20 10 FGCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC[C@H]3CCCS3)C2)cc1 ZINC000868720069 733632644 /nfs/dbraw/zinc/63/26/44/733632644.db2.gz GTMTVLSJSYYTEQ-CRAIPNDOSA-N 0 0 363.527 3.106 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCSCCC(F)(F)F)c1 ZINC000869063648 733682398 /nfs/dbraw/zinc/68/23/98/733682398.db2.gz PNSUQCXTCWLHLI-JTQLQIEISA-N 0 0 366.405 3.447 20 10 FGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1OC ZINC000872754757 735672893 /nfs/dbraw/zinc/67/28/93/735672893.db2.gz CHNVCSSUWNZUCF-LKFCYVNXSA-N 0 0 364.320 3.158 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cscc1Cl ZINC000873821978 735807981 /nfs/dbraw/zinc/80/79/81/735807981.db2.gz WDUVLEVNTOYVHA-UHFFFAOYSA-N 0 0 352.843 3.484 20 10 FGCDRN CCn1nc(C)c(CN(C)C(=O)NCCCSc2nccs2)c1C ZINC000875374142 735982161 /nfs/dbraw/zinc/98/21/61/735982161.db2.gz FAUMDUCNDWROFB-UHFFFAOYSA-N 0 0 367.544 3.300 20 10 FGCDRN COc1cccc(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1O ZINC000875788051 736025042 /nfs/dbraw/zinc/02/50/42/736025042.db2.gz IZXJICMWOAPZLG-USXIJHARSA-N 0 0 358.825 3.192 20 10 FGCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000875853982 736031859 /nfs/dbraw/zinc/03/18/59/736031859.db2.gz VWGOYTNIGUADIM-OQFOIZHKSA-N 0 0 357.841 3.248 20 10 FGCDRN COc1cccc(CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c1O ZINC000875874229 736033424 /nfs/dbraw/zinc/03/34/24/736033424.db2.gz IULGFOZWLMKJES-IAOVAPTHSA-N 0 0 358.825 3.192 20 10 FGCDRN OC1CCN(c2ccc(CNCc3c(F)cc(F)cc3F)cc2)CC1 ZINC000877552755 736683248 /nfs/dbraw/zinc/68/32/48/736683248.db2.gz SWDXCRQBSQGPCM-UHFFFAOYSA-N 0 0 350.384 3.355 20 10 FGCDRN CN(C)c1cc(F)c([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1F ZINC000877857207 736736485 /nfs/dbraw/zinc/73/64/85/736736485.db2.gz LXFVZMVPARWOLI-QGZVFWFLSA-N 0 0 351.441 3.430 20 10 FGCDRN O=C1N[C@@H](c2cccc(Br)c2O)Nc2cc(F)c(F)cc21 ZINC000877859397 736736870 /nfs/dbraw/zinc/73/68/70/736736870.db2.gz ROEVDCPGZHLJDM-ZDUSSCGKSA-N 0 0 355.138 3.287 20 10 FGCDRN O=C(NCCCSc1nccs1)c1ccc([C@H]2CCC(=O)N2)cc1 ZINC000878834962 736923840 /nfs/dbraw/zinc/92/38/40/736923840.db2.gz XYISTFGGGAXZJP-CQSZACIVSA-N 0 0 361.492 3.006 20 10 FGCDRN C[C@H]1COCC[C@@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000881912633 737396997 /nfs/dbraw/zinc/39/69/97/737396997.db2.gz KJBLQFLJWDTVJI-KXBFYZLASA-N 0 0 367.511 3.282 20 10 FGCDRN CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000883002776 737510702 /nfs/dbraw/zinc/51/07/02/737510702.db2.gz 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/nfs/dbraw/zinc/56/34/88/722563488.db2.gz NANKTLAPBWIPCM-RAXLEYEMSA-N 0 0 358.463 3.261 20 10 FGCDRN CCc1nc(NC(=O)NCc2ccc(N3CCOCC3)cc2)sc1C ZINC000743223386 722564991 /nfs/dbraw/zinc/56/49/91/722564991.db2.gz GYQVWFLIESQMDZ-UHFFFAOYSA-N 0 0 360.483 3.172 20 10 FGCDRN C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743539358 722568569 /nfs/dbraw/zinc/56/85/69/722568569.db2.gz ZQOGLOPIGUMUAP-MCIONIFRSA-N 0 0 353.413 3.212 20 10 FGCDRN CSC(C)(C)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000743564958 722568907 /nfs/dbraw/zinc/56/89/07/722568907.db2.gz RGFLIFWMYSWASL-CQSZACIVSA-N 0 0 351.516 3.025 20 10 FGCDRN CCCN(CC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000746945533 722623736 /nfs/dbraw/zinc/62/37/36/722623736.db2.gz CDCPXWGJDYOFAG-GASCZTMLSA-N 0 0 351.466 3.381 20 10 FGCDRN COC(=O)CCCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000747554908 722650854 /nfs/dbraw/zinc/65/08/54/722650854.db2.gz ITBZFGMLMPTEDL-UHFFFAOYSA-N 0 0 362.857 3.359 20 10 FGCDRN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000747929259 722666252 /nfs/dbraw/zinc/66/62/52/722666252.db2.gz PMMOZIZICJJTHH-LJQANCHMSA-N 0 0 350.459 3.292 20 10 FGCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1c(F)c(F)cc(F)c1F ZINC000748524769 722694936 /nfs/dbraw/zinc/69/49/36/722694936.db2.gz YGPKJUDUODTJAA-UHFFFAOYSA-N 0 0 354.303 3.332 20 10 FGCDRN O=C(NCCCSc1nccs1)N1CCC([C@@H]2CCOC2)CC1 ZINC000753220689 722889930 /nfs/dbraw/zinc/88/99/30/722889930.db2.gz MYNZPFFVIWDYBJ-CQSZACIVSA-N 0 0 355.529 3.083 20 10 FGCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCCS3)CC2)cc1 ZINC000753256518 722891444 /nfs/dbraw/zinc/89/14/44/722891444.db2.gz WEYMNMMOKRWAFT-SFHVURJKSA-N 0 0 363.527 3.203 20 10 FGCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)C3=CC(=O)CS3)C[C@@H]21 ZINC000753510365 722902222 /nfs/dbraw/zinc/90/22/22/722902222.db2.gz BHWWRVWNNJHKCF-FPMFFAJLSA-N 0 0 366.483 3.219 20 10 FGCDRN CCOC(=O)[C@H](CC1CC1)NCc1cc(C)cc(Br)c1O ZINC000753567370 722904713 /nfs/dbraw/zinc/90/47/13/722904713.db2.gz DZASTNHFXWZNJR-AWEZNQCLSA-N 0 0 356.260 3.285 20 10 FGCDRN CC[C@H](C)c1nnc([C@H](C)NC(=O)NCCCSc2nccs2)[nH]1 ZINC000753587478 722905600 /nfs/dbraw/zinc/90/56/00/722905600.db2.gz IQVHDJFWFMKCMZ-QWRGUYRKSA-N 0 0 368.532 3.317 20 10 FGCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)CCC(C)C)CC2)cc1F ZINC000753933816 722918916 /nfs/dbraw/zinc/91/89/16/722918916.db2.gz PSPTXCDBBXTUIE-HNNXBMFYSA-N 0 0 351.466 3.491 20 10 FGCDRN Cc1ccc2cccc(S(=O)(=O)NCc3ccc(N(C)C)cc3)c2n1 ZINC000754028987 722923851 /nfs/dbraw/zinc/92/38/51/722923851.db2.gz DEOQMEUPIRQCDI-UHFFFAOYSA-N 0 0 355.463 3.088 20 10 FGCDRN C[C@H]([NH2+]CCc1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756439942 722964646 /nfs/dbraw/zinc/96/46/46/722964646.db2.gz BADNBSKDSNVSSY-VIFPVBQESA-N 0 0 358.667 3.435 20 10 FGCDRN CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000756443917 722964766 /nfs/dbraw/zinc/96/47/66/722964766.db2.gz JNWKVQQNJMNGNZ-CYBMUJFWSA-N 0 0 366.458 3.069 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000756586161 722967268 /nfs/dbraw/zinc/96/72/68/722967268.db2.gz QQESXHZDPYXCIS-LLVKDONJSA-N 0 0 352.481 3.468 20 10 FGCDRN C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756641907 722968116 /nfs/dbraw/zinc/96/81/16/722968116.db2.gz ZHNGNGPNMQNJQT-MXWKQRLJSA-N 0 0 362.239 3.138 20 10 FGCDRN C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Br)cc(F)c1[O-] ZINC000756785087 722970079 /nfs/dbraw/zinc/97/00/79/722970079.db2.gz RXDDMNIZQAQGGG-KSBSHMNSSA-N 0 0 360.145 3.258 20 10 FGCDRN CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756858234 722970879 /nfs/dbraw/zinc/97/08/79/722970879.db2.gz SHUINZCEUSGFLY-VIFPVBQESA-N 0 0 361.255 3.107 20 10 FGCDRN CC(C)(C)OC(=O)N1CCc2cccc(C=C3SC(=S)NC3=O)c21 ZINC000757525974 722976741 /nfs/dbraw/zinc/97/67/41/722976741.db2.gz JPRQOHDJPBKTKQ-FMIVXFBMSA-N 0 0 362.476 3.473 20 10 FGCDRN C[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000757695948 722978490 /nfs/dbraw/zinc/97/84/90/722978490.db2.gz KSQFMPLLHYWPNB-SNVBAGLBSA-N 0 0 368.405 3.166 20 10 FGCDRN CCn1cc(C(=O)NCc2ccccc2O)c(=O)c2cc(Cl)ccc21 ZINC000757934928 722981557 /nfs/dbraw/zinc/98/15/57/722981557.db2.gz CQSTVHQSFDXMSM-UHFFFAOYSA-N 0 0 356.809 3.310 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2scnc2Br)c1 ZINC000758054187 722983510 /nfs/dbraw/zinc/98/35/10/722983510.db2.gz LZLDAWUMNDWLKY-SSDOTTSWSA-N 0 0 357.229 3.111 20 10 FGCDRN Cc1cc(C(=O)NC[C@H](O)C(F)(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC000758270094 722987377 /nfs/dbraw/zinc/98/73/77/722987377.db2.gz JBPQJNZNASZZRW-AWEZNQCLSA-N 0 0 360.763 3.401 20 10 FGCDRN C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccccc1Br ZINC000758561747 722991809 /nfs/dbraw/zinc/99/18/09/722991809.db2.gz LYYUZOMJPLXNCJ-SECBINFHSA-N 0 0 365.179 3.289 20 10 FGCDRN COc1cc2c(cc1/C=C1\SC(=S)N(c3cccnc3)C1=O)OCO2 ZINC000758815386 722995230 /nfs/dbraw/zinc/99/52/30/722995230.db2.gz KSQAQANNXIGTCE-UUASQNMZSA-N 0 0 372.427 3.225 20 10 FGCDRN CCCCCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000759048530 722998624 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O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cccc(O)c1O ZINC000789882419 723081470 /nfs/dbraw/zinc/08/14/70/723081470.db2.gz IMRZMQFKMPTTMB-NSHDSACASA-N 0 0 367.232 3.413 20 10 FGCDRN COc1cc(Cl)cc(CN2CCN(C(=O)CC(C)(C)C)CC2)c1O ZINC000761191089 723131661 /nfs/dbraw/zinc/13/16/61/723131661.db2.gz MXVGTGLGNJNKKC-UHFFFAOYSA-N 0 0 354.878 3.135 20 10 FGCDRN COc1cc(Cl)cc(CN2CCN(c3ncc(C)s3)CC2)c1O ZINC000761203504 723132922 /nfs/dbraw/zinc/13/29/22/723132922.db2.gz UVZSMWGYRPKSNP-UHFFFAOYSA-N 0 0 353.875 3.141 20 10 FGCDRN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2OCC)cc1C ZINC000790411287 723136605 /nfs/dbraw/zinc/13/66/05/723136605.db2.gz JGKQLFKPWWZIPG-UHFFFAOYSA-N 0 0 351.424 3.299 20 10 FGCDRN Cc1cc(Br)c2c(c1)CN(C(=O)c1cccc(O)c1O)CC2 ZINC000790946980 723197664 /nfs/dbraw/zinc/19/76/64/723197664.db2.gz WIWOOCMYDFQWSE-UHFFFAOYSA-N 0 0 362.223 3.367 20 10 FGCDRN Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790956181 723199064 /nfs/dbraw/zinc/19/90/64/723199064.db2.gz PZTDJNNSRREPMY-CYBMUJFWSA-N 0 0 353.821 3.331 20 10 FGCDRN CCOC(=O)CCC(=O)COC(=O)c1sccc1-n1c(C)ccc1C ZINC000791341981 723232302 /nfs/dbraw/zinc/23/23/02/723232302.db2.gz AZLQDWMHWTUYSD-UHFFFAOYSA-N 0 0 363.435 3.225 20 10 FGCDRN CN(C)c1ccc(CNC(=O)CN2CCc3cc(Cl)ccc3C2)cc1 ZINC000792307745 723327634 /nfs/dbraw/zinc/32/76/34/723327634.db2.gz QSZDUJUGIUUOGC-UHFFFAOYSA-N 0 0 357.885 3.081 20 10 FGCDRN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2SC)c1 ZINC000792702085 723358370 /nfs/dbraw/zinc/35/83/70/723358370.db2.gz LDFAOZQJTXPIBZ-UHFFFAOYSA-N 0 0 367.448 3.092 20 10 FGCDRN CCc1cc(CN2CC(=O)N(CC(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000792724161 723361377 /nfs/dbraw/zinc/36/13/77/723361377.db2.gz XCXUVTVQDFOBTD-UHFFFAOYSA-N 0 0 358.404 3.416 20 10 FGCDRN COc1ccc(CNC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c(O)c1 ZINC000792952345 723386420 /nfs/dbraw/zinc/38/64/20/723386420.db2.gz OZMNLQWEKMAASJ-YOEHRIQHSA-N 0 0 350.459 3.041 20 10 FGCDRN COc1ccc(CNC(=O)NCc2c(Cl)cccc2OC)c(O)c1 ZINC000793075342 723397938 /nfs/dbraw/zinc/39/79/38/723397938.db2.gz AKAPGPLYWLNMIU-UHFFFAOYSA-N 0 0 350.802 3.062 20 10 FGCDRN CCn1cc(N2C(=O)/C(=C\c3sccc3OC)SC2=S)cn1 ZINC000764412479 723411311 /nfs/dbraw/zinc/41/13/11/723411311.db2.gz RUEODRLIBVSMPN-WUXMJOGZSA-N 0 0 351.478 3.379 20 10 FGCDRN CCn1cc(N2C(=O)/C(=C/c3sccc3OC)SC2=S)cn1 ZINC000764412478 723411361 /nfs/dbraw/zinc/41/13/61/723411361.db2.gz RUEODRLIBVSMPN-SDQBBNPISA-N 0 0 351.478 3.379 20 10 FGCDRN OCCN(Cc1cc(Br)ccc1O)Cc1cccnc1Cl ZINC000793364904 723430414 /nfs/dbraw/zinc/43/04/14/723430414.db2.gz VAPHBLBPZHRNKJ-UHFFFAOYSA-N 0 0 371.662 3.198 20 10 FGCDRN Cc1ccc(CCNC(=O)NCc2cccc(Br)c2O)o1 ZINC000764759920 723443009 /nfs/dbraw/zinc/44/30/09/723443009.db2.gz FCJBEDKZCLLRSH-UHFFFAOYSA-N 0 0 353.216 3.098 20 10 FGCDRN O=C(NCc1cccc(Br)c1O)NOCc1ccccc1 ZINC000764759352 723443073 /nfs/dbraw/zinc/44/30/73/723443073.db2.gz YHUSZCKWRIKALF-UHFFFAOYSA-N 0 0 351.200 3.086 20 10 FGCDRN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2cccc(Br)c2O)C1(C)C ZINC000764804357 723448135 /nfs/dbraw/zinc/44/81/35/723448135.db2.gz FPZMVBGOXFHEFF-CUOATXAZSA-N 0 0 371.275 3.013 20 10 FGCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1cccc(Br)c1O ZINC000793967919 723479400 /nfs/dbraw/zinc/47/94/00/723479400.db2.gz GVXUWOYPXFJAEI-DGCLKSJQSA-N 0 0 358.276 3.348 20 10 FGCDRN Cc1ccc(OCC(=O)NCc2cccc(Br)c2O)cc1C ZINC000765727727 723535651 /nfs/dbraw/zinc/53/56/51/723535651.db2.gz OJTRSAQPJFHEDJ-UHFFFAOYSA-N 0 0 364.239 3.467 20 10 FGCDRN C[C@@H]1CCC[C@H](OCC(=O)NCc2cccc(Br)c2O)C1 ZINC000765752886 723538173 /nfs/dbraw/zinc/53/81/73/723538173.db2.gz ZYSXRGCQOGZRJW-YPMHNXCESA-N 0 0 356.260 3.366 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1 ZINC000765808252 723542219 /nfs/dbraw/zinc/54/22/19/723542219.db2.gz HUGODACGWQQFDQ-CWTRNNRKSA-N 0 0 363.841 3.391 20 10 FGCDRN COc1ccc(CNC(=S)Nc2ccc3c(c2)OCCCO3)c(O)c1 ZINC000795030974 723557650 /nfs/dbraw/zinc/55/76/50/723557650.db2.gz GZQUBHMTXINRAD-UHFFFAOYSA-N 0 0 360.435 3.049 20 10 FGCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cccc(Br)n1 ZINC000795492684 723595195 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LIDJAATXVYXYHL-CYBMUJFWSA-N 0 0 358.335 3.276 20 10 FGCDRN Nc1c(Cl)cc(N2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1Cl ZINC000772120897 723751351 /nfs/dbraw/zinc/75/13/51/723751351.db2.gz IZMSOLOKGBFODE-CYBMUJFWSA-N 0 0 350.205 3.243 20 10 FGCDRN CSc1cc(CNC(=O)NCCCSc2nccs2)ccn1 ZINC000772513709 723761715 /nfs/dbraw/zinc/76/17/15/723761715.db2.gz AUPNPOGQFYWNTQ-UHFFFAOYSA-N 0 0 354.526 3.242 20 10 FGCDRN C[C@H](NS(=O)(=O)c1cccc2ncccc21)c1ccc(N(C)C)cc1 ZINC000773082906 723776257 /nfs/dbraw/zinc/77/62/57/723776257.db2.gz CHWVDLSXMUSYNB-AWEZNQCLSA-N 0 0 355.463 3.340 20 10 FGCDRN C[C@H](NC(=O)NCc1nnc(C(C)(C)C)s1)c1ccc(N(C)C)cc1 ZINC000773390683 723783905 /nfs/dbraw/zinc/78/39/05/723783905.db2.gz KVNXZNJQTPGKRO-LBPRGKRZSA-N 0 0 361.515 3.462 20 10 FGCDRN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc(N(C)C)cc1 ZINC000773422369 723784496 /nfs/dbraw/zinc/78/44/96/723784496.db2.gz FTUDUXBRIBLNGJ-NKKGCODLSA-N 0 0 365.568 3.492 20 10 FGCDRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000797138957 723785547 /nfs/dbraw/zinc/78/55/47/723785547.db2.gz BUPIYOYSUZTMPK-GMTAPVOTSA-N 0 0 366.462 3.259 20 10 FGCDRN CCOc1ccc(SCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773739215 723818952 /nfs/dbraw/zinc/81/89/52/723818952.db2.gz CESPZFHBMJEQGF-ZDUSSCGKSA-N 0 0 361.463 3.336 20 10 FGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1ccc2c(c1)CCC2 ZINC000773768057 723821565 /nfs/dbraw/zinc/82/15/65/723821565.db2.gz BAZIWGSQKOZRMC-CYBMUJFWSA-N 0 0 357.475 3.426 20 10 FGCDRN C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000773845885 723829220 /nfs/dbraw/zinc/82/92/20/723829220.db2.gz KLYWKBMSLSNRRI-LLVKDONJSA-N 0 0 363.820 3.361 20 10 FGCDRN CSc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773849171 723830034 /nfs/dbraw/zinc/83/00/34/723830034.db2.gz XJUKDXAPTVIWHY-ZDUSSCGKSA-N 0 0 357.479 3.290 20 10 FGCDRN C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1F)c1ccc(N(C)C)cc1 ZINC000773860053 723831076 /nfs/dbraw/zinc/83/10/76/723831076.db2.gz YGCLKCGJQMYCRG-NSHDSACASA-N 0 0 363.820 3.361 20 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/nfs/dbraw/zinc/01/63/97/724016397.db2.gz UBUVLZGFWIJMNB-HNNXBMFYSA-N 0 0 350.256 3.238 20 10 FGCDRN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665461 724019867 /nfs/dbraw/zinc/01/98/67/724019867.db2.gz CDKWMEZICIZJMG-HUUCEWRRSA-N 0 0 369.912 3.175 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](OC)C[C@@H]2C)cc1F ZINC000799370179 724020248 /nfs/dbraw/zinc/02/02/48/724020248.db2.gz BRAFRHLKLWEQGV-HOCLYGCPSA-N 0 0 351.466 3.381 20 10 FGCDRN CO[C@@H](C)CC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000776154103 724114022 /nfs/dbraw/zinc/11/40/22/724114022.db2.gz OZEWDCKOLDLPFJ-QMMMGPOBSA-N 0 0 367.081 3.432 20 10 FGCDRN COc1ccc(NC(=O)N(C)Cc2ccccc2O)c(C(F)(F)F)n1 ZINC000776295556 724129252 /nfs/dbraw/zinc/12/92/52/724129252.db2.gz QFHSEVMSTDQBHW-UHFFFAOYSA-N 0 0 355.316 3.479 20 10 FGCDRN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000776751208 724179535 /nfs/dbraw/zinc/17/95/35/724179535.db2.gz QWGKCPZJCSVZEU-UHFFFAOYSA-N 0 0 355.799 3.023 20 10 FGCDRN C[C@H](O)CCN(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800719880 724223932 /nfs/dbraw/zinc/22/39/32/724223932.db2.gz OTKZGLCAGCIVEF-GJZGRUSLSA-N 0 0 367.921 3.489 20 10 FGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N(CCO)C3CC3)cc2Cl)C1 ZINC000800720436 724224135 /nfs/dbraw/zinc/22/41/35/724224135.db2.gz SRBCNCKPRXPMFY-AWEZNQCLSA-N 0 0 365.905 3.243 20 10 FGCDRN CCCCc1nnc(NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000777509095 724233475 /nfs/dbraw/zinc/23/34/75/724233475.db2.gz WEKBQUJVBPWWIT-UHFFFAOYSA-N 0 0 350.463 3.469 20 10 FGCDRN Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000800896156 724244708 /nfs/dbraw/zinc/24/47/08/724244708.db2.gz AUCJJWAMQOAUBS-INIZCTEOSA-N 0 0 350.802 3.394 20 10 FGCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777999840 724281618 /nfs/dbraw/zinc/28/16/18/724281618.db2.gz IPPRWSAJHIUAAU-UHFFFAOYSA-N 0 0 374.293 3.241 20 10 FGCDRN CCCCN(Cc1ccccc1O)C(=O)CCNC(=O)c1cccs1 ZINC000801549590 724312705 /nfs/dbraw/zinc/31/27/05/724312705.db2.gz RXWAXDUTCFGXIK-UHFFFAOYSA-N 0 0 360.479 3.403 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@]2(CC)CO)cc1F ZINC000784505107 724859526 /nfs/dbraw/zinc/85/95/26/724859526.db2.gz KZHVAQPMCQATIM-IBGZPJMESA-N 0 0 351.466 3.118 20 10 FGCDRN COc1cc(N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc(OC)c1OC ZINC000785461796 724914142 /nfs/dbraw/zinc/91/41/42/724914142.db2.gz OKQJIMBOZKLLKR-LBPRGKRZSA-N 0 0 354.447 3.062 20 10 FGCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785583951 724922815 /nfs/dbraw/zinc/92/28/15/724922815.db2.gz SPWITWBXCKYHGL-XYZCENFISA-N 0 0 353.777 3.125 20 10 FGCDRN Cn1c(=O)ccc2ccc(NC(=O)NCCCSc3nccs3)cc21 ZINC000786016103 724954526 /nfs/dbraw/zinc/95/45/26/724954526.db2.gz ZIZBFLPEEWRWLG-UHFFFAOYSA-N 0 0 374.491 3.299 20 10 FGCDRN COc1cccc(CNC(=O)Nc2cc(-c3ccsc3)nn2C)c1O ZINC000786176662 724965287 /nfs/dbraw/zinc/96/52/87/724965287.db2.gz VICCDYNQTZOZKY-UHFFFAOYSA-N 0 0 358.423 3.185 20 10 FGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1c(C)coc1C ZINC000786527108 724986281 /nfs/dbraw/zinc/98/62/81/724986281.db2.gz QTKXUJBAZLAROT-UHFFFAOYSA-N 0 0 351.786 3.071 20 10 FGCDRN CN(C)c1ccc(CN(Cc2cc(Br)nn2C)C2CC2)cc1 ZINC000787086315 725016014 /nfs/dbraw/zinc/01/60/14/725016014.db2.gz HBGISKYSZVTXIF-UHFFFAOYSA-N 0 0 363.303 3.413 20 10 FGCDRN COc1ccc(N2CCN(C(=O)NCc3cscc3C)CC2)cc1F ZINC000787334199 725025413 /nfs/dbraw/zinc/02/54/13/725025413.db2.gz GLQQBMBLAYNXJH-UHFFFAOYSA-N 0 0 363.458 3.236 20 10 FGCDRN O=C(NCCCOC1CCCC1)NCc1cc(Br)ccc1O ZINC000805028086 725044885 /nfs/dbraw/zinc/04/48/85/725044885.db2.gz XPCNNEYSJPNQOR-UHFFFAOYSA-N 0 0 371.275 3.303 20 10 FGCDRN CCc1ncc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000805134603 725051912 /nfs/dbraw/zinc/05/19/12/725051912.db2.gz DMSLEIZTWOGBMT-UHFFFAOYSA-N 0 0 367.279 3.196 20 10 FGCDRN CC(C)OCCCCNC(=O)NCc1cc(Br)ccc1O ZINC000805277771 725061380 /nfs/dbraw/zinc/06/13/80/725061380.db2.gz IPHGMCNFVJZTJY-UHFFFAOYSA-N 0 0 359.264 3.159 20 10 FGCDRN C[C@@H]1C[C@H](CCNC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000805277946 725061394 /nfs/dbraw/zinc/06/13/94/725061394.db2.gz OCQPXJXPYHIQDA-VXGBXAGGSA-N 0 0 371.275 3.159 20 10 FGCDRN CCOC(=O)C[C@@H](OC(=O)c1sccc1-n1c(C)ccc1C)C(C)=O ZINC000805421202 725070752 /nfs/dbraw/zinc/07/07/52/725070752.db2.gz VCAWNISIYZWLRG-OAHLLOKOSA-N 0 0 363.435 3.223 20 10 FGCDRN C[C@@H]([NH2+]CCN(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000806171473 725119581 /nfs/dbraw/zinc/11/95/81/725119581.db2.gz JUQIWPARKQDGIC-MRVPVSSYSA-N 0 0 366.097 3.129 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000806180333 725119980 /nfs/dbraw/zinc/11/99/80/725119980.db2.gz MSPBMLSXATUBLS-DOMZBBRYSA-N 0 0 363.841 3.259 20 10 FGCDRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)C(=O)NCCCSc1nccs1 ZINC000806279079 725122498 /nfs/dbraw/zinc/12/24/98/725122498.db2.gz DJEWWYWOPLGUMI-KGLIPLIRSA-N 0 0 369.556 3.169 20 10 FGCDRN Cn1ncc(NC(=O)NCc2cc(Br)ccc2O)c1C1CC1 ZINC000806429894 725128394 /nfs/dbraw/zinc/12/83/94/725128394.db2.gz XLXOMVVPOCKQFA-UHFFFAOYSA-N 0 0 365.231 3.087 20 10 FGCDRN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1Cc2ccccc21 ZINC000806508049 725131076 /nfs/dbraw/zinc/13/10/76/725131076.db2.gz YJGCZRNNODYJCV-LBPRGKRZSA-N 0 0 361.239 3.294 20 10 FGCDRN CCCCC[C@@H](NCc1cc(Br)cc(OC)c1O)C(=O)OC ZINC000789575533 725137325 /nfs/dbraw/zinc/13/73/25/725137325.db2.gz MGZHTGOSFNEVPV-CYBMUJFWSA-N 0 0 374.275 3.375 20 10 FGCDRN C[C@@H](C(=O)NCCCSc1nccs1)n1ccc2ccccc2c1=O ZINC000806851300 725146233 /nfs/dbraw/zinc/14/62/33/725146233.db2.gz MTDAIGRPGMDKDN-ZDUSSCGKSA-N 0 0 373.503 3.318 20 10 FGCDRN Cc1ccc(CC(=O)NCc2cccc(Br)c2O)c(Cl)n1 ZINC000807416414 725160966 /nfs/dbraw/zinc/16/09/66/725160966.db2.gz DYKOTFBSCOGZQG-UHFFFAOYSA-N 0 0 369.646 3.370 20 10 FGCDRN O=C(N[C@@H]1CCCC1(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000807596865 725164517 /nfs/dbraw/zinc/16/45/17/725164517.db2.gz CIEAOHNZSHNFAC-GOEBONIOSA-N 0 0 354.397 3.271 20 10 FGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1[O-] ZINC000808431715 725200888 /nfs/dbraw/zinc/20/08/88/725200888.db2.gz 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CN1Cc2ccccc2[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000757664621 722978090 /nfs/dbraw/zinc/97/80/90/722978090.db2.gz ZOTRPCRNNHWGHG-HNNXBMFYSA-N 0 0 362.524 3.111 20 10 FGCDRN C[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000757695947 722978452 /nfs/dbraw/zinc/97/84/52/722978452.db2.gz KSQFMPLLHYWPNB-JTQLQIEISA-N 0 0 368.405 3.166 20 10 FGCDRN Oc1ccccc1CN(Cc1ccco1)C(=S)NC[C@@H]1CCCCO1 ZINC000758175022 722985519 /nfs/dbraw/zinc/98/55/19/722985519.db2.gz JWSVDDYAQDQMLK-INIZCTEOSA-N 0 0 360.479 3.431 20 10 FGCDRN COC(=O)Cc1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000758589799 722992110 /nfs/dbraw/zinc/99/21/10/722992110.db2.gz YYOGMEINLQLJMH-UHFFFAOYSA-N 0 0 365.480 3.163 20 10 FGCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(Br)c2[O-])[C@]12CCCO2 ZINC000759178622 723000993 /nfs/dbraw/zinc/00/09/93/723000993.db2.gz ZYSZNBGZZMHIDJ-BFYDXBDKSA-N 0 0 370.287 3.279 20 10 FGCDRN CC(=O)Nc1ccccc1CNC(=O)NCCCSc1nccs1 ZINC000759582321 723009927 /nfs/dbraw/zinc/00/99/27/723009927.db2.gz DJRFWJRVETUFIA-UHFFFAOYSA-N 0 0 364.496 3.083 20 10 FGCDRN Cn1nc(CNC(=O)NCCCSc2nccs2)c2ccccc21 ZINC000760128832 723039187 /nfs/dbraw/zinc/03/91/87/723039187.db2.gz LGFIYBOSLOBSBA-UHFFFAOYSA-N 0 0 361.496 3.011 20 10 FGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cl)cs1 ZINC000760396277 723053610 /nfs/dbraw/zinc/05/36/10/723053610.db2.gz YULGAVZTHBFPDH-UHFFFAOYSA-N 0 0 368.861 3.432 20 10 FGCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000760873732 723100583 /nfs/dbraw/zinc/10/05/83/723100583.db2.gz CJHZFXAHBCUZPG-CYBMUJFWSA-N 0 0 355.362 3.269 20 10 FGCDRN CCN(C)c1ccc(/C=C2\SC(=S)N(CCCSC)C2=O)cn1 ZINC000790106517 723105576 /nfs/dbraw/zinc/10/55/76/723105576.db2.gz MFFPBPCEJJJIST-RAXLEYEMSA-N 0 0 367.565 3.492 20 10 FGCDRN CC1CCN(c2ccc(CNS(=O)(=O)CCC(F)(F)F)cc2)CC1 ZINC000790183157 723111665 /nfs/dbraw/zinc/11/16/65/723111665.db2.gz GNQSJAFCYGEGCB-UHFFFAOYSA-N 0 0 364.433 3.295 20 10 FGCDRN COC(=O)CN(CCc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC000761216192 723133935 /nfs/dbraw/zinc/13/39/35/723133935.db2.gz 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723181305 /nfs/dbraw/zinc/18/13/05/723181305.db2.gz KMLYSZDKUKLERV-LBPRGKRZSA-N 0 0 359.813 3.009 20 10 FGCDRN CCOc1cccc(CNC(=O)c2cccc(O)c2O)c1OC(F)F ZINC000790878478 723188782 /nfs/dbraw/zinc/18/87/82/723188782.db2.gz STKFPIWXSWREEL-UHFFFAOYSA-N 0 0 353.321 3.028 20 10 FGCDRN Cc1ccc(CN2CC[C@@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2=O)cc1 ZINC000791010050 723204926 /nfs/dbraw/zinc/20/49/26/723204926.db2.gz CFPSMHTYYKJJRP-MRXNPFEDSA-N 0 0 362.832 3.384 20 10 FGCDRN O=C1[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCN1Cc1ccc(F)cc1 ZINC000791007635 723204986 /nfs/dbraw/zinc/20/49/86/723204986.db2.gz OUEMDHPVOFEYKJ-HNNXBMFYSA-N 0 0 366.795 3.215 20 10 FGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(Br)n[nH]2)cc1F ZINC000791361447 723234743 /nfs/dbraw/zinc/23/47/43/723234743.db2.gz STEAJFFWWFFECE-UHFFFAOYSA-N 0 0 369.238 3.088 20 10 FGCDRN CCOc1cc(C(=O)NCc2cc(OC)ccc2O)cc(Cl)c1O ZINC000762621136 723263385 /nfs/dbraw/zinc/26/33/85/723263385.db2.gz DMCDLKGEJSJBGW-UHFFFAOYSA-N 0 0 351.786 3.089 20 10 FGCDRN O=S(=O)(NC1CC1)c1cccc(NCc2cccc(Cl)c2O)c1 ZINC000792174833 723318513 /nfs/dbraw/zinc/31/85/13/723318513.db2.gz IGZNFUNHPZIVPF-UHFFFAOYSA-N 0 0 352.843 3.098 20 10 FGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000763280980 723329263 /nfs/dbraw/zinc/32/92/63/723329263.db2.gz UHEZZVOJZKFGQK-VIFPVBQESA-N 0 0 350.758 3.020 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000763572774 723351942 /nfs/dbraw/zinc/35/19/42/723351942.db2.gz UHPAHUGTBCDAHX-DCGLDWPTSA-N 0 0 350.459 3.355 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000763572775 723351974 /nfs/dbraw/zinc/35/19/74/723351974.db2.gz UHPAHUGTBCDAHX-GDZNZVCISA-N 0 0 350.459 3.355 20 10 FGCDRN CN(C)c1ccc(CN2CC[C@](O)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000792827508 723372450 /nfs/dbraw/zinc/37/24/50/723372450.db2.gz DUJKRNJPVHYNJO-CYBMUJFWSA-N 0 0 356.310 3.271 20 10 FGCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)N(C)CC(F)(F)F)cc1 ZINC000792879552 723376851 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DUWFMQZFDPXPDZ-QRWLVFNGSA-N 0 0 373.522 3.341 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](CO)c1ccccc1 ZINC000472225742 502275939 /nfs/dbraw/zinc/27/59/39/502275939.db2.gz UUVBVZLVUGPEFC-QGZVFWFLSA-N 0 0 351.450 3.062 20 10 FGCDRN COCCN(CC(F)F)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000483573264 502435321 /nfs/dbraw/zinc/43/53/21/502435321.db2.gz AHSCFDFKICVESS-UHFFFAOYSA-N 0 0 368.424 3.258 20 10 FGCDRN CSc1ccccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472785362 502439878 /nfs/dbraw/zinc/43/98/78/502439878.db2.gz IJMRJFPSNGTYOS-UHFFFAOYSA-N 0 0 367.474 3.464 20 10 FGCDRN COc1cccc(C)c1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472812383 502446745 /nfs/dbraw/zinc/44/67/45/502446745.db2.gz ZPJQGAXTNHEYOK-UHFFFAOYSA-N 0 0 365.433 3.059 20 10 FGCDRN COc1cc(C)ccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472812373 502446767 /nfs/dbraw/zinc/44/67/67/502446767.db2.gz ZNKQVFOISOFSAF-UHFFFAOYSA-N 0 0 365.433 3.059 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCCc1nc(C2CC2)no1 ZINC000473256054 502552255 /nfs/dbraw/zinc/55/22/55/502552255.db2.gz DDTKTRDFKIBRKH-UHFFFAOYSA-N 0 0 352.438 3.386 20 10 FGCDRN CN(C(=O)c1ccoc1CC(N)=O)c1ccc(Oc2ccccc2)cc1 ZINC000509832865 502994615 /nfs/dbraw/zinc/99/46/15/502994615.db2.gz OUBACHCHLQFFAX-UHFFFAOYSA-N 0 0 350.374 3.376 20 10 FGCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@]34C[C@@H]3COC4(C)C)ccc21 ZINC000529782084 503699105 /nfs/dbraw/zinc/69/91/05/503699105.db2.gz DTOATWRVJHSWIZ-IERDGZPVSA-N 0 0 356.466 3.202 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCc1cnc(C2CC2)nc1 ZINC000527453285 503793439 /nfs/dbraw/zinc/79/34/39/503793439.db2.gz XMIMSHVNBUYSBI-UHFFFAOYSA-N 0 0 363.465 3.196 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000527452591 503793698 /nfs/dbraw/zinc/79/36/98/503793698.db2.gz HIWKZCIBGRZBNV-IPELMVKDSA-N 0 0 353.466 3.244 20 10 FGCDRN CCC[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)OCC ZINC000530196709 503870449 /nfs/dbraw/zinc/87/04/49/503870449.db2.gz FNQIPZLJHZZRJS-AWEZNQCLSA-N 0 0 354.834 3.015 20 10 FGCDRN COc1ccc(CNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c(O)c1 ZINC000528297560 504156235 /nfs/dbraw/zinc/15/62/35/504156235.db2.gz KYSLZVCGOAVCGI-BMGDILEWSA-N 0 0 358.825 3.192 20 10 FGCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3cnn(C)c3C)ccc21 ZINC000548071117 504318383 /nfs/dbraw/zinc/31/83/83/504318383.db2.gz OZDDTSKIHHYNOH-UHFFFAOYSA-N 0 0 368.481 3.219 20 10 FGCDRN COc1ccc2c(c1)OC[C@H]2CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000536324448 504698304 /nfs/dbraw/zinc/69/83/04/504698304.db2.gz LNHKKQRINREAPR-CQSZACIVSA-N 0 0 368.433 3.053 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccnc(OC(F)F)c1 ZINC000560111312 504995364 /nfs/dbraw/zinc/99/53/64/504995364.db2.gz SLOICAWZLUCHJE-UHFFFAOYSA-N 0 0 374.391 3.483 20 10 FGCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000564001996 505299288 /nfs/dbraw/zinc/29/92/88/505299288.db2.gz ARLPEDXSQOSDTD-GDBMZVCRSA-N 0 0 355.482 3.140 20 10 FGCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](F)C2)C1 ZINC000567244217 505405830 /nfs/dbraw/zinc/40/58/30/505405830.db2.gz VWNKYTXWNXLTLN-MRXNPFEDSA-N 0 0 357.473 3.368 20 10 FGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCn1cnc2ccccc21 ZINC000608250381 506474888 /nfs/dbraw/zinc/47/48/88/506474888.db2.gz BWUCQEBEJMUFCA-UHFFFAOYSA-N 0 0 364.449 3.308 20 10 FGCDRN COc1cc(Cl)c(NS(=O)(=O)c2cccc3nsnc32)cc1C ZINC000584551540 507405536 /nfs/dbraw/zinc/40/55/36/507405536.db2.gz MHDQAKRWGAESLQ-UHFFFAOYSA-N 0 0 369.855 3.463 20 10 FGCDRN Fc1cc(-c2nn[nH]n2)ccc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000737639852 598236243 /nfs/dbraw/zinc/23/62/43/598236243.db2.gz HAMOQEWOVFCNNL-UHFFFAOYSA-N 0 0 361.384 3.176 20 10 FGCDRN CCc1ccccc1NNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736702512 598320574 /nfs/dbraw/zinc/32/05/74/598320574.db2.gz QZZFEAABYHKTGQ-UHFFFAOYSA-N 0 0 373.873 3.396 20 10 FGCDRN Fc1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2nn[nH]n2)c1 ZINC000822778770 599468353 /nfs/dbraw/zinc/46/83/53/599468353.db2.gz NXDFVJOHMHSBKA-UHFFFAOYSA-N 0 0 361.384 3.176 20 10 FGCDRN COC(=O)[C@H]1CC12CC[NH+](Cc1c(O)c(C(=O)[O-])cc3ccccc31)CC2 ZINC000737577079 600279658 /nfs/dbraw/zinc/27/96/58/600279658.db2.gz KQQWDRAWCBVUBY-QGZVFWFLSA-N 0 0 369.417 3.019 20 10 FGCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@H]2CN2CCCC2)c1O ZINC000740096636 600426336 /nfs/dbraw/zinc/42/63/36/600426336.db2.gz KPNKRUNIZIQGAI-INIZCTEOSA-N 0 0 354.450 3.304 20 10 FGCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c1O ZINC000740096640 600426479 /nfs/dbraw/zinc/42/64/79/600426479.db2.gz KPNKRUNIZIQGAI-MRXNPFEDSA-N 0 0 354.450 3.304 20 10 FGCDRN O=C([O-])/C=C\c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000833196190 600822003 /nfs/dbraw/zinc/82/20/03/600822003.db2.gz NWQZEENHZCEHPU-WRLNGNIRSA-N 0 0 359.426 3.005 20 10 FGCDRN c1csc(SCCCNc2cc(-c3nn[nH]n3)nc3ccccc32)n1 ZINC000826523257 607519982 /nfs/dbraw/zinc/51/99/82/607519982.db2.gz GWUHWEXQXRTSEL-UHFFFAOYSA-N 0 0 369.479 3.466 20 10 FGCDRN COc1ccc(N2CCC([NH2+]C[C@H](NC(=O)[O-])c3ccccc3)CC2)cc1 ZINC000829425026 604378896 /nfs/dbraw/zinc/37/88/96/604378896.db2.gz XQNFXHOWENVMRP-FQEVSTJZSA-N 0 0 369.465 3.263 20 10 FGCDRN C[N@H+](Cc1cc(Br)ccc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC000833694149 604645259 /nfs/dbraw/zinc/64/52/59/604645259.db2.gz BKDMQNMYRKYFAL-HNNXBMFYSA-N 0 0 350.212 3.412 20 10 FGCDRN Cc1cc(C(=O)N[C@H](C)C2CCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826258624 607912708 /nfs/dbraw/zinc/91/27/08/607912708.db2.gz QBAJIQPKQGAIEP-CYBMUJFWSA-N 0 0 364.453 3.193 20 10 FGCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1[O-] ZINC000824010646 608486606 /nfs/dbraw/zinc/48/66/06/608486606.db2.gz OIQMHTRHFZTGEU-JTQLQIEISA-N 0 0 371.828 3.279 20 10 FGCDRN CN(C)c1ccc(CNC(=O)COc2cccc(Br)c2)cc1 ZINC000007890227 695578347 /nfs/dbraw/zinc/57/83/47/695578347.db2.gz UIWMGLIZFUADJQ-UHFFFAOYSA-N 0 0 363.255 3.210 20 10 FGCDRN COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)o1 ZINC000012177340 695604842 /nfs/dbraw/zinc/60/48/42/695604842.db2.gz VDIPPCXKGJFJAU-UHFFFAOYSA-N 0 0 358.375 3.131 20 10 FGCDRN COc1cc(Br)cc([C@H]2Nc3ccccc3C(=O)N2C)c1O ZINC000015250131 695616977 /nfs/dbraw/zinc/61/69/77/695616977.db2.gz COHGVJATFHVJGI-HNNXBMFYSA-N 0 0 363.211 3.360 20 10 FGCDRN CN(Cc1cc2c(cc1O)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000027532838 695694630 /nfs/dbraw/zinc/69/46/30/695694630.db2.gz PYYOKLIXWYCQIY-UHFFFAOYSA-N 0 0 350.758 3.315 20 10 FGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1 ZINC000031727335 695739066 /nfs/dbraw/zinc/73/90/66/695739066.db2.gz PCDYAOJKGRECKY-UHFFFAOYSA-N 0 0 356.451 3.119 20 10 FGCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000048795212 695889583 /nfs/dbraw/zinc/88/95/83/695889583.db2.gz FQBGGTSSQTYBRE-GFCCVEGCSA-N 0 0 350.212 3.084 20 10 FGCDRN O=C(CSc1ccncc1)NCc1ccc(N2CCSCC2)cc1 ZINC000054035824 695936767 /nfs/dbraw/zinc/93/67/67/695936767.db2.gz BLXHKNNTUNEQJI-UHFFFAOYSA-N 0 0 359.520 3.043 20 10 FGCDRN COc1cccc(CNC(=O)COc2ccc(Cl)c(Cl)c2)c1O ZINC000068489187 695941071 /nfs/dbraw/zinc/94/10/71/695941071.db2.gz VIVAEXOIUJRJBN-UHFFFAOYSA-N 0 0 356.205 3.403 20 10 FGCDRN CCC(CC)(CC)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000073772818 695972910 /nfs/dbraw/zinc/97/29/10/695972910.db2.gz MYHUZAGHMGXGKR-UHFFFAOYSA-N 0 0 351.466 3.430 20 10 FGCDRN CCc1cnc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000075812430 700219424 /nfs/dbraw/zinc/21/94/24/700219424.db2.gz NKQDLFKWHPMKQD-UHFFFAOYSA-N 0 0 358.511 3.348 20 10 FGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000078005178 700271874 /nfs/dbraw/zinc/27/18/74/700271874.db2.gz LHXOXESSPDBKHJ-UHFFFAOYSA-N 0 0 356.787 3.371 20 10 FGCDRN CCc1cnc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)s1 ZINC000084879428 700364606 /nfs/dbraw/zinc/36/46/06/700364606.db2.gz QISYXVXOLSWILG-UHFFFAOYSA-N 0 0 364.446 3.207 20 10 FGCDRN CC[C@H](CSC)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000091622248 700422962 /nfs/dbraw/zinc/42/29/62/700422962.db2.gz XHZXNVCGFLBOFL-OAHLLOKOSA-N 0 0 353.557 3.181 20 10 FGCDRN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092706337 700440047 /nfs/dbraw/zinc/44/00/47/700440047.db2.gz UMCAHZSLIJELAY-ZDUSSCGKSA-N 0 0 369.303 3.139 20 10 FGCDRN COC(=O)CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCCO1 ZINC000093460715 700451495 /nfs/dbraw/zinc/45/14/95/700451495.db2.gz KHIFTBWEKYRCTA-ZDUSSCGKSA-N 0 0 362.253 3.243 20 10 FGCDRN COc1cc(Br)cc(CN2CCC[C@H]2C(=O)OC(C)C)c1O ZINC000093535817 700451955 /nfs/dbraw/zinc/45/19/55/700451955.db2.gz GGWMXIOVELJTBO-ZDUSSCGKSA-N 0 0 372.259 3.079 20 10 FGCDRN C[C@H](N1CCN(Cc2cc(Br)ccc2O)CC1)C(F)(F)F ZINC000093882606 700455534 /nfs/dbraw/zinc/45/55/34/700455534.db2.gz QLWFOKGZNVBTRW-JTQLQIEISA-N 0 0 367.209 3.223 20 10 FGCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccc(NC(N)=O)cc1 ZINC000098039220 700465117 /nfs/dbraw/zinc/46/51/17/700465117.db2.gz ATJSMTSIBIADJJ-SNVBAGLBSA-N 0 0 364.243 3.496 20 10 FGCDRN CC(C)CCSCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098094031 700465404 /nfs/dbraw/zinc/46/54/04/700465404.db2.gz YXONFVBATNBAGT-UHFFFAOYSA-N 0 0 364.555 3.291 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2c(F)cccc2F)c1 ZINC000103510741 700486843 /nfs/dbraw/zinc/48/68/43/700486843.db2.gz QOCRLWSURLYJIS-NSHDSACASA-N 0 0 350.365 3.282 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CSCc2c(C)noc2C)c1 ZINC000103530713 700487197 /nfs/dbraw/zinc/48/71/97/700487197.db2.gz YMNLJBLDUFQAQX-SNVBAGLBSA-N 0 0 350.440 3.116 20 10 FGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000103631352 700487464 /nfs/dbraw/zinc/48/74/64/700487464.db2.gz ZMXILIIQXYPZIX-LLVKDONJSA-N 0 0 362.813 3.179 20 10 FGCDRN CN(C)c1ccc(CN(C)Cn2c(-c3ccccn3)csc2=O)cc1 ZINC000104052496 700491958 /nfs/dbraw/zinc/49/19/58/700491958.db2.gz ZXQALVWQPOOJDX-UHFFFAOYSA-N 0 0 354.479 3.127 20 10 FGCDRN COC(=O)CSCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000105603837 700502973 /nfs/dbraw/zinc/50/29/73/700502973.db2.gz YRHBDFFVJXMWBZ-UHFFFAOYSA-N 0 0 360.479 3.039 20 10 FGCDRN COC(=O)c1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1 ZINC000107039948 700513823 /nfs/dbraw/zinc/51/38/23/700513823.db2.gz XXXSLDQWRIUGPH-UHFFFAOYSA-N 0 0 357.479 3.286 20 10 FGCDRN 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C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000769513596 723688238 /nfs/dbraw/zinc/68/82/38/723688238.db2.gz CNNQLDFCBLRKFO-CQSZACIVSA-N 0 0 353.304 3.318 20 10 FGCDRN Cc1cc(Br)c(O)c(CNc2cc(C(=O)N(C)C)ccn2)c1 ZINC000769655096 723691487 /nfs/dbraw/zinc/69/14/87/723691487.db2.gz VKTMYOMZPYJXMH-UHFFFAOYSA-N 0 0 364.243 3.172 20 10 FGCDRN CO[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)C ZINC000769965238 723702145 /nfs/dbraw/zinc/70/21/45/723702145.db2.gz AEYKVTNHDCZTSB-BBRMVZONSA-N 0 0 356.413 3.044 20 10 FGCDRN O=C(O[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C1=CC(=O)CS1 ZINC000770367120 723712088 /nfs/dbraw/zinc/71/20/88/723712088.db2.gz GWXARQQGFNWFBR-GFCCVEGCSA-N 0 0 371.336 3.435 20 10 FGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2[nH]ccc2c1 ZINC000771839166 723743465 /nfs/dbraw/zinc/74/34/65/723743465.db2.gz DFHFFIYOZLLXOQ-UHFFFAOYSA-N 0 0 355.781 3.496 20 10 FGCDRN Nc1c(Cl)cc(N2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1Cl ZINC000772118710 723751362 /nfs/dbraw/zinc/75/13/62/723751362.db2.gz 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COC(=O)c1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1Cl ZINC000797627241 723843885 /nfs/dbraw/zinc/84/38/85/723843885.db2.gz HIFXVOWRDMFKQP-UHFFFAOYSA-N 0 0 364.785 3.163 20 10 FGCDRN CCc1occc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000797750236 723857380 /nfs/dbraw/zinc/85/73/80/723857380.db2.gz PWDPDNHXRCJKSV-UHFFFAOYSA-N 0 0 351.786 3.016 20 10 FGCDRN C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774140787 723862704 /nfs/dbraw/zinc/86/27/04/723862704.db2.gz FYTPIHOEEZSQER-VIFPVBQESA-N 0 0 369.314 3.068 20 10 FGCDRN COc1cc(NS(=O)(=O)c2cc(C)cc(Br)c2)ccc1O ZINC000797819814 723866096 /nfs/dbraw/zinc/86/60/96/723866096.db2.gz UNDMFFPPGBGPOJ-UHFFFAOYSA-N 0 0 372.240 3.273 20 10 FGCDRN C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)c(F)cc1[O-] ZINC000798004980 723897583 /nfs/dbraw/zinc/89/75/83/723897583.db2.gz REACCAMENGFBMZ-GSDQLPOLSA-N 0 0 364.280 3.246 20 10 FGCDRN COc1cccc(CNc2cc(Br)cc(F)c2C(N)=O)c1O ZINC000774523413 723902629 /nfs/dbraw/zinc/90/26/29/723902629.db2.gz 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O=C(NCCCSc1nccs1)N1CCOCC2(CCCC2)C1 ZINC000776161073 724115057 /nfs/dbraw/zinc/11/50/57/724115057.db2.gz KDYONVIIEZEMJB-UHFFFAOYSA-N 0 0 355.529 3.228 20 10 FGCDRN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1O ZINC000776748485 724178628 /nfs/dbraw/zinc/17/86/28/724178628.db2.gz KTNZQMSFYDHGFS-UHFFFAOYSA-N 0 0 362.451 3.486 20 10 FGCDRN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000776868027 724190993 /nfs/dbraw/zinc/19/09/93/724190993.db2.gz PEFQYCAVJCFAQJ-DDTOSNHZSA-N 0 0 364.269 3.170 20 10 FGCDRN C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Br)c(F)cc1[O-] ZINC000800499933 724203433 /nfs/dbraw/zinc/20/34/33/724203433.db2.gz LBZXTBZSQJDDJM-VIFPVBQESA-N 0 0 371.254 3.491 20 10 FGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C3(O)CCCC3)cc2Cl)C1 ZINC000800571862 724214019 /nfs/dbraw/zinc/21/40/19/724214019.db2.gz OWHRIWDAHNKNBV-CQSZACIVSA-N 0 0 350.890 3.498 20 10 FGCDRN CC[C@H](C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C(=O)OC ZINC000800571340 724214058 /nfs/dbraw/zinc/21/40/58/724214058.db2.gz INGOZBCHWLAQOX-DZGCQCFKSA-N 0 0 366.889 3.392 20 10 FGCDRN CCN(CCO)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800720849 724224389 /nfs/dbraw/zinc/22/43/89/724224389.db2.gz WGFPLVQXMYMJSZ-CQSZACIVSA-N 0 0 353.894 3.100 20 10 FGCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[C@@H]1C(F)F ZINC000800903107 724245670 /nfs/dbraw/zinc/24/56/70/724245670.db2.gz NANFNBDKMMKNEM-SWHYSGLUSA-N 0 0 360.351 3.274 20 10 FGCDRN Cc1cc(C(=O)N2CCO[C@H](C(F)F)C2)c(C)n1-c1ccc(F)cc1 ZINC000801115990 724271004 /nfs/dbraw/zinc/27/10/04/724271004.db2.gz ZHOLTVUOYSUNOW-INIZCTEOSA-N 0 0 352.356 3.339 20 10 FGCDRN Cc1ccc2cccnc2c1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000777957263 724275722 /nfs/dbraw/zinc/27/57/22/724275722.db2.gz UVIWGBLOSWOJGV-UHFFFAOYSA-N 0 0 355.463 3.088 20 10 FGCDRN O=C(/C=C\c1cnccn1)N1CCc2cc(Cl)cc(Br)c21 ZINC000801712097 724326986 /nfs/dbraw/zinc/32/69/86/724326986.db2.gz WQBAJDNLOBNDOE-UPHRSURJSA-N 0 0 364.630 3.495 20 10 FGCDRN Cc1cc(C)cc([C@@H](O)CNC(=O)NCCCSc2nccs2)c1 ZINC000802244081 724370026 /nfs/dbraw/zinc/37/00/26/724370026.db2.gz ORIKAOBCQWCRSL-HNNXBMFYSA-N 0 0 365.524 3.275 20 10 FGCDRN O=C(CCOc1ccc(Cl)cc1Cl)NCc1ccc(O)c(O)c1 ZINC000778922935 724372920 /nfs/dbraw/zinc/37/29/20/724372920.db2.gz MLHXODSXGDCXGE-UHFFFAOYSA-N 0 0 356.205 3.490 20 10 FGCDRN C[C@@H]1CN(c2ccc(CNc3ncncc3Cl)cc2F)C[C@@H](C)O1 ZINC000784571410 724864285 /nfs/dbraw/zinc/86/42/85/724864285.db2.gz LLAQMTHBWSOSIM-VXGBXAGGSA-N 0 0 350.825 3.495 20 10 FGCDRN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Br)cc(C)c1O ZINC000786578081 724989604 /nfs/dbraw/zinc/98/96/04/724989604.db2.gz GPFZYUKQCVIQAY-GLQYFDAESA-N 0 0 368.271 3.237 20 10 FGCDRN C[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000787021719 725013437 /nfs/dbraw/zinc/01/34/37/725013437.db2.gz BACLJANLZWHIGO-XXFAHNHDSA-N 0 0 354.765 3.477 20 10 FGCDRN COc1ccsc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805134687 725052020 /nfs/dbraw/zinc/05/20/20/725052020.db2.gz GLQLKLXEHKMVOE-UHFFFAOYSA-N 0 0 368.263 3.248 20 10 FGCDRN 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C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756568498 722966990 /nfs/dbraw/zinc/96/69/90/722966990.db2.gz GMAQSWHTJXKNQO-QMMMGPOBSA-N 0 0 373.188 3.439 20 10 FGCDRN COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756591365 722967331 /nfs/dbraw/zinc/96/73/31/722967331.db2.gz QZCZMAOOXMPNEG-BTDLBPIBSA-N 0 0 353.365 3.072 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c1 ZINC000756703023 722968842 /nfs/dbraw/zinc/96/88/42/722968842.db2.gz DMGUHKTYWGZSNA-LBPRGKRZSA-N 0 0 360.479 3.407 20 10 FGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c1 ZINC000756707938 722968906 /nfs/dbraw/zinc/96/89/06/722968906.db2.gz QUDYRMHNQCSOJX-LLVKDONJSA-N 0 0 351.349 3.187 20 10 FGCDRN C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756743945 722969417 /nfs/dbraw/zinc/96/94/17/722969417.db2.gz XVXPMVNACLXEPX-LQJGKPAFSA-N 0 0 352.269 3.102 20 10 FGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756778634 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354.328 3.477 20 10 FGCDRN Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2)c(Cl)cc1F ZINC000760519064 723061101 /nfs/dbraw/zinc/06/11/01/723061101.db2.gz DFDFLVNUPIXSBM-UHFFFAOYSA-N 0 0 356.850 3.332 20 10 FGCDRN CN(Cc1ccc(Br)s1)C(=O)c1c(F)ccc(O)c1O ZINC000789944678 723087260 /nfs/dbraw/zinc/08/72/60/723087260.db2.gz WBWJWSSRWYMTBE-UHFFFAOYSA-N 0 0 360.204 3.333 20 10 FGCDRN O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1c(F)ccc(O)c1[O-] ZINC000789964028 723089270 /nfs/dbraw/zinc/08/92/70/723089270.db2.gz QHCJKPXTTPFPSC-UHFFFAOYSA-N 0 0 362.426 3.038 20 10 FGCDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000790034546 723096953 /nfs/dbraw/zinc/09/69/53/723096953.db2.gz DGLRXNICSJDVOC-WBVHZDCISA-N 0 0 368.543 3.171 20 10 FGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000760919664 723104743 /nfs/dbraw/zinc/10/47/43/723104743.db2.gz VYTAWLYCRATJMW-JTQLQIEISA-N 0 0 363.797 3.123 20 10 FGCDRN CN(C)c1ccc(CNC(=O)NC[C@@](C)(O)C2CCCCC2)cc1F ZINC000790261639 723118759 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604544993 /nfs/dbraw/zinc/54/49/93/604544993.db2.gz OVAOFLBOAYELQF-UHFFFAOYSA-N 0 0 365.813 3.150 20 10 FGCDRN CC(C)(C(=O)[O-])[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000826105736 604628527 /nfs/dbraw/zinc/62/85/27/604628527.db2.gz HVHZBKQDCHYFKT-FQEVSTJZSA-N 0 0 368.477 3.465 20 10 FGCDRN C[N@H+](Cc1cc(Br)ccc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694150 604644864 /nfs/dbraw/zinc/64/48/64/604644864.db2.gz BKDMQNMYRKYFAL-OAHLLOKOSA-N 0 0 350.212 3.412 20 10 FGCDRN CN(C)c1ccc(CN(c2ccc(Cl)c(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC000821589604 606458856 /nfs/dbraw/zinc/45/88/56/606458856.db2.gz VOFYJXGJUOEHST-UHFFFAOYSA-N 0 0 369.860 3.150 20 10 FGCDRN CCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825366927 608344040 /nfs/dbraw/zinc/34/40/40/608344040.db2.gz HFVDXUDOWRJSQL-DAXSKMNVSA-N 0 0 368.828 3.290 20 10 FGCDRN Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(F)cc1 ZINC000006913377 695560645 /nfs/dbraw/zinc/56/06/45/695560645.db2.gz ROHJCJWYKAPSPM-UHFFFAOYSA-N 0 0 359.382 3.007 20 10 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CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@@H](O)C(F)(F)F ZINC000781636795 724581578 /nfs/dbraw/zinc/58/15/78/724581578.db2.gz SCKGLJSFEWJXFP-CMPLNLGQSA-N 0 0 356.182 3.255 20 10 FGCDRN Cc1cc(Br)c(O)c(CN2CCO[C@H](C(F)(F)F)C2)c1 ZINC000781907777 724610836 /nfs/dbraw/zinc/61/08/36/724610836.db2.gz FHCZQUJIWSBEOK-NSHDSACASA-N 0 0 354.166 3.226 20 10 FGCDRN CCOc1c(Cl)cccc1/C=C1/SC(N2CCOCC2)=NC1=O ZINC000782311662 724651498 /nfs/dbraw/zinc/65/14/98/724651498.db2.gz FJBLMDOAFAIEHA-JLHYYAGUSA-N 0 0 352.843 3.041 20 10 FGCDRN O=C(COC(=O)c1ccc(F)cc1Br)c1ccc(O)c(O)c1 ZINC000782521472 724678721 /nfs/dbraw/zinc/67/87/21/724678721.db2.gz LSGMUHZCPWUYRO-UHFFFAOYSA-N 0 0 369.142 3.039 20 10 FGCDRN O=C(COC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(O)c(O)c1 ZINC000783241514 724741391 /nfs/dbraw/zinc/74/13/91/724741391.db2.gz WJNSBHBZJNVWDR-UHFFFAOYSA-N 0 0 358.243 3.295 20 10 FGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](O)C1CCCCC1 ZINC000783666496 724777092 /nfs/dbraw/zinc/77/70/92/724777092.db2.gz 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C[S@@](=O)c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000876867599 736156177 /nfs/dbraw/zinc/15/61/77/736156177.db2.gz GVQJXYBRHYDFCA-RUZDIDTESA-N 0 0 362.470 3.136 20 10 FGCDRN COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(Cl)cc1O ZINC000876963392 736168371 /nfs/dbraw/zinc/16/83/71/736168371.db2.gz AIZDRJXXHQXSBJ-UHFFFAOYSA-N 0 0 362.857 3.181 20 10 FGCDRN CN(C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1)c1ccc(N)cc1 ZINC000877078627 736185064 /nfs/dbraw/zinc/18/50/64/736185064.db2.gz XKLIMFSSQHJUPO-AEFFLSMTSA-N 0 0 357.841 3.105 20 10 FGCDRN COC(=O)c1oc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])cc1C ZINC000877693549 736706082 /nfs/dbraw/zinc/70/60/82/736706082.db2.gz JYRKDIAMGJJAFU-UHFFFAOYSA-N 0 0 368.227 3.441 20 10 FGCDRN Cc1cnc(Cl)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000877991946 736754504 /nfs/dbraw/zinc/75/45/04/736754504.db2.gz OZEYEPVQDGCAQD-UHFFFAOYSA-N 0 0 359.857 3.152 20 10 FGCDRN COc1ccc(N(CC(=O)N=S(C)(C)=O)Cc2cccs2)cc1 ZINC000878232486 736792704 /nfs/dbraw/zinc/79/27/04/736792704.db2.gz 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COc1ccc(CNc2cc3c(cc2Cl)OCCO3)c(O)c1OC ZINC000893276043 742134181 /nfs/dbraw/zinc/13/41/81/742134181.db2.gz YBCPSWGUSUQGFV-UHFFFAOYSA-N 0 0 351.786 3.446 20 10 FGCDRN Nc1nc(NCc2cc(Cl)ccc2O)nc(C(F)(F)C(F)(F)F)n1 ZINC000894395426 742277608 /nfs/dbraw/zinc/27/76/08/742277608.db2.gz DUKNUDPZBYNGKN-UHFFFAOYSA-N 0 0 369.681 3.079 20 10 FGCDRN CCOC(=O)CN(Cc1csc(C(F)(F)F)n1)Cc1ccccc1O ZINC000895011162 742364084 /nfs/dbraw/zinc/36/40/84/742364084.db2.gz BLEWDPQQTVGPRQ-UHFFFAOYSA-N 0 0 374.384 3.433 20 10 FGCDRN COc1cc(O)c(CN=[S@](C)(=O)c2ccc(N(C)C)cc2)cc1OC ZINC000895733724 742448776 /nfs/dbraw/zinc/44/87/76/742448776.db2.gz FUXGHNJMGHOGLH-RUZDIDTESA-N 0 0 364.467 3.132 20 10 FGCDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896677033 742582061 /nfs/dbraw/zinc/58/20/61/742582061.db2.gz MJPUOOLPZPHRBE-VIFPVBQESA-N 0 0 359.451 3.024 20 10 FGCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897173325 742651522 /nfs/dbraw/zinc/65/15/22/742651522.db2.gz PHCYJRTVKFQSAC-CQSZACIVSA-N 0 0 360.281 3.453 20 10 FGCDRN COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000897986078 742730812 /nfs/dbraw/zinc/73/08/12/742730812.db2.gz WLHNOXKBRAYHIZ-LBPRGKRZSA-N 0 0 370.236 3.307 20 10 FGCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)c3cncs3)CC2)cc1 ZINC000898219825 742760931 /nfs/dbraw/zinc/76/09/31/742760931.db2.gz NGEISLGWGSDSOR-CQSZACIVSA-N 0 0 360.483 3.135 20 10 FGCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cncs1 ZINC000898228209 742762174 /nfs/dbraw/zinc/76/21/74/742762174.db2.gz VIYNMECEJWSOHS-DZGCQCFKSA-N 0 0 361.467 3.301 20 10 FGCDRN CCCN(Cc1ccccc1O)C(=O)NCCOC1CCSCC1 ZINC000899070978 742864491 /nfs/dbraw/zinc/86/44/91/742864491.db2.gz MZSHHSCJKBMXJJ-UHFFFAOYSA-N 0 0 352.500 3.226 20 10 FGCDRN C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903396420 743844664 /nfs/dbraw/zinc/84/46/64/743844664.db2.gz LVYBECZIJYQOLM-UWVGGRQHSA-N 0 0 369.252 3.124 20 10 FGCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccnc(Cl)c3Cl)C2)cc1 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