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335.315 3.387 40 0 EGABRN Nc1ccc(S(=O)(=O)c2ccc(Nc3ccccc3)c(N)c2)cc1 ZINC000001706605 209785249 /nfs/dbraw/zinc/78/52/49/209785249.db2.gz IHURZJWELSGOPZ-UHFFFAOYSA-N 0 0 339.420 3.427 40 0 EGABRN COc1cccc(/C=C/C(=O)NCc2ccc(-n3cccn3)cc2)c1 ZINC000040105146 213264781 /nfs/dbraw/zinc/26/47/81/213264781.db2.gz YLRQWGQVTKKBOV-DHZHZOJOSA-N 0 0 333.391 3.211 40 0 EGABRN O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000039964087 213247204 /nfs/dbraw/zinc/24/72/04/213247204.db2.gz HXCXUHSUKRUQLE-KRWDZBQOSA-N 0 0 346.390 3.115 40 0 EGABRN O=C(C1CCCC1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 ZINC000038890935 213229999 /nfs/dbraw/zinc/22/99/99/213229999.db2.gz AGFQWNITOSAGMI-UHFFFAOYSA-N 0 0 345.468 3.238 40 0 EGABRN O=C(NC1CC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038850081 213228705 /nfs/dbraw/zinc/22/87/05/213228705.db2.gz QZQGFHOKNHJRIZ-GFCCVEGCSA-N 0 0 327.255 3.484 40 0 EGABRN COC(=O)c1cc2c(ccn(Cc3ccc(Cl)cc3)c2=O)nc1C ZINC000038784168 213225251 /nfs/dbraw/zinc/22/52/51/213225251.db2.gz 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WNMGNPCYGHPIIV-QZTJIDSGSA-N 0 0 340.423 3.302 40 0 EGABRN O=C(/C=C/c1ccco1)NC[C@@](O)(c1ccsc1)c1cccs1 ZINC000244975185 527639989 /nfs/dbraw/zinc/63/99/89/527639989.db2.gz IFPCKTGUYSKVRO-QGZVFWFLSA-N 0 0 345.445 3.468 40 0 EGABRN CCCNC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 ZINC000224261453 535136116 /nfs/dbraw/zinc/13/61/16/535136116.db2.gz UTJZLNJHDARIRV-UHFFFAOYSA-N 0 0 329.396 3.423 40 0 EGABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(F)c1 ZINC000198188244 535154031 /nfs/dbraw/zinc/15/40/31/535154031.db2.gz JRYGKGVAOHKSEQ-UHFFFAOYSA-N 0 0 330.359 3.226 40 0 EGABRN CCCNC(=S)Nc1nc(C)cc(N2CCc3ccccc3C2)n1 ZINC000225886776 535157763 /nfs/dbraw/zinc/15/77/63/535157763.db2.gz GNDLGRPYHVQPOT-UHFFFAOYSA-N 0 0 341.484 3.044 40 0 EGABRN CCCN(C(=O)c1ccc2nccnc2n1)[C@@H]1CCc2ccccc2C1 ZINC000252504809 535242844 /nfs/dbraw/zinc/24/28/44/535242844.db2.gz VMAFHJWGLPNTNN-QGZVFWFLSA-N 0 0 346.434 3.435 40 0 EGABRN CCn1cc(C(=O)N2CCC[C@@H]2c2ccnc(=O)[nH]2)c2ccccc21 ZINC000257203673 536026426 /nfs/dbraw/zinc/02/64/26/536026426.db2.gz ARBRGQMRQREIBL-QGZVFWFLSA-N 0 0 336.395 3.134 40 0 EGABRN COC(=O)Cc1ccccc1C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000225805041 536369413 /nfs/dbraw/zinc/36/94/13/536369413.db2.gz KNHUSKPTJHQWOM-GFCCVEGCSA-N 0 0 345.370 3.041 40 0 EGABRN COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCC(C)CC2)cc1 ZINC000225432208 536545040 /nfs/dbraw/zinc/54/50/40/536545040.db2.gz HNWSYUFKXIKQFC-ZDUSSCGKSA-N 0 0 344.411 3.276 40 0 biogenic,in-vitro EGABRN COc1ccc(Cl)cc1-c1nc(SCCc2ccnn2C)n[nH]1 ZINC000225776895 536546015 /nfs/dbraw/zinc/54/60/15/536546015.db2.gz UUDITHZJODDVJX-UHFFFAOYSA-N 0 0 349.847 3.202 40 0 EGABRN Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1NS(C)(=O)=O ZINC000224086493 547246825 /nfs/dbraw/zinc/24/68/25/547246825.db2.gz BMJDSVDZBMFELB-UHFFFAOYSA-N 0 0 340.489 3.311 40 0 EGABRN COc1ccc(O[C@@H](C)C(=O)NCCOc2cc(C)cc(C)c2)cc1 ZINC000224081418 547246940 /nfs/dbraw/zinc/24/69/40/547246940.db2.gz UIOPIINYRXARTQ-INIZCTEOSA-N 0 0 343.423 3.275 40 0 EGABRN COc1cc(C(=S)NCc2ccc(F)cc2)cc(OC)c1OC ZINC000408571806 547838933 /nfs/dbraw/zinc/83/89/33/547838933.db2.gz GBOSTZQSADZWIQ-UHFFFAOYSA-N 0 0 335.400 3.317 40 0 EGABRN CCc1nc2ccc(C(=O)N[C@H]3CC[C@@H](CO)CC3)cc2nc1CC ZINC000677439392 549271177 /nfs/dbraw/zinc/27/11/77/549271177.db2.gz PJDIEEPGQCQGGT-OTVXOJSOSA-N 0 0 341.455 3.036 40 0 EGABRN COc1ccc2[nH]nc(NC(=O)[C@H]3C[C@@]34CCOc3ccccc34)c2c1 ZINC000677938990 549361723 /nfs/dbraw/zinc/36/17/23/549361723.db2.gz FQCUBGYMXUKOMG-FOIQADDNSA-N 0 0 349.390 3.250 40 0 EGABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 ZINC000205710621 564128835 /nfs/dbraw/zinc/12/88/35/564128835.db2.gz CBYQHLAXXPEKKX-NTEUORMPSA-N 0 0 349.408 3.073 40 0 EGABRN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccco2)NC(=O)N1 ZINC000006348389 1291043646 /nfs/dbraw/zinc/04/36/46/1291043646.db2.gz RZLKEUJDSGUZDK-AWEZNQCLSA-N 0 0 331.759 3.200 40 0 EGABRN CCN(CC)C(=O)[C@H](C)C(=O)COc1ccc(Cl)cc1Cl ZINC000026532535 1291274952 /nfs/dbraw/zinc/27/49/52/1291274952.db2.gz URQYFVFILIBIDQ-SNVBAGLBSA-N 0 0 332.227 3.446 40 0 EGABRN O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)C1CCC1 ZINC000027921092 1291295731 /nfs/dbraw/zinc/29/57/31/1291295731.db2.gz SXQWDTZBVMWETE-UHFFFAOYSA-N 0 0 334.217 3.433 40 0 EGABRN CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)cc1F ZINC000027978102 1291298755 /nfs/dbraw/zinc/29/87/55/1291298755.db2.gz OWWOJDJZXCWARN-CQSZACIVSA-N 0 0 335.306 3.490 40 0 EGABRN CCn1nccc1C(=O)Nc1cnn(Cc2cccc(Cl)c2)c1 ZINC000028239283 1291304001 /nfs/dbraw/zinc/30/40/01/1291304001.db2.gz DPNDLVHJNMSQLN-UHFFFAOYSA-N 0 0 329.791 3.054 40 0 EGABRN C[C@@H](CNC(=O)Nc1ccn(C)n1)c1ccc(Br)cc1 ZINC000930078810 1328779558 /nfs/dbraw/zinc/77/95/58/1328779558.db2.gz KVOCLFHCQOGELZ-JTQLQIEISA-N 0 0 337.221 3.108 40 0 EGABRN CCn1[nH]c(C)nc1=NC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000931758504 1329178245 /nfs/dbraw/zinc/17/82/45/1329178245.db2.gz HUPVJQDXZZRTQK-INIZCTEOSA-N 0 0 339.443 3.178 40 0 EGABRN CCCC[C@@]1(O)C=C(C(F)(F)F)NN1C(=O)COc1ccccc1 ZINC000004725833 210261382 /nfs/dbraw/zinc/26/13/82/210261382.db2.gz OEHWKKNOFFRJDC-OAHLLOKOSA-N 0 0 344.333 3.095 40 0 EGABRN Cc1cc(NC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)no1 ZINC000053251239 214173169 /nfs/dbraw/zinc/17/31/69/214173169.db2.gz GQCPGAOROUZMJC-UHFFFAOYSA-N 0 0 339.399 3.449 40 0 EGABRN O=C(CSc1ccncc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000053357675 214178934 /nfs/dbraw/zinc/17/89/34/214178934.db2.gz ZTCFCCHDNGZESR-INIZCTEOSA-N 0 0 338.436 3.414 40 0 EGABRN CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000007680037 290636833 /nfs/dbraw/zinc/63/68/33/290636833.db2.gz LRAKSJZXNWATSD-GOSISDBHSA-N 0 0 342.464 3.156 40 0 EGABRN C[C@@H](COc1ccccc1)NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000055732551 214339483 /nfs/dbraw/zinc/33/94/83/214339483.db2.gz UMJJZSMSCAQJPY-HNNXBMFYSA-N 0 0 338.407 3.011 40 0 EGABRN C[C@@H](CNC(=O)N(C)Cc1cscn1)Oc1ccc(Cl)cc1 ZINC000174202380 231148752 /nfs/dbraw/zinc/14/87/52/231148752.db2.gz CTBWUSOAHNQCLI-NSHDSACASA-N 0 0 339.848 3.405 40 0 EGABRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc(-c2ccccc2)on1 ZINC000072242567 282169236 /nfs/dbraw/zinc/16/92/36/282169236.db2.gz SYKYABGCQMHOLI-INIZCTEOSA-N 0 0 334.379 3.247 40 0 EGABRN CC(C)(NC(=O)NCc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000058140767 214482065 /nfs/dbraw/zinc/48/20/65/214482065.db2.gz IFYAZYMHHUDCJG-UHFFFAOYSA-N 0 0 330.359 3.289 40 0 EGABRN c1csc(CN2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000097953754 219064865 /nfs/dbraw/zinc/06/48/65/219064865.db2.gz PAFKJMCBRJMNTF-OKZBNKHCSA-N 0 0 330.453 3.092 40 0 EGABRN Cc1ccc(C)c(OCCC(=O)N[C@H](C)COCC(F)(F)F)c1 ZINC000058163704 214490150 /nfs/dbraw/zinc/49/01/50/214490150.db2.gz CPAJGBHOLDJZTF-CYBMUJFWSA-N 0 0 333.350 3.156 40 0 EGABRN CCc1ccc(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000131621567 529620049 /nfs/dbraw/zinc/62/00/49/529620049.db2.gz AZSXVAJMLBJGIK-UHFFFAOYSA-N 0 0 343.423 3.134 40 0 EGABRN CCc1ccc(CN(C)C(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC000060278180 214630899 /nfs/dbraw/zinc/63/08/99/214630899.db2.gz LGMQQGPFDJCQPL-UHFFFAOYSA-N 0 0 345.487 3.183 40 0 EGABRN Cc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1-n1cccc1 ZINC000004518423 210212415 /nfs/dbraw/zinc/21/24/15/210212415.db2.gz HBFQGMFNVDFEGE-UHFFFAOYSA-N 0 0 341.440 3.047 40 0 EGABRN Cc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)c1 ZINC000004469478 210194564 /nfs/dbraw/zinc/19/45/64/210194564.db2.gz OGATYMDZTUMFDS-UHFFFAOYSA-N 0 0 328.412 3.131 40 0 EGABRN CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC(C)C)CC1 ZINC000100750023 219106142 /nfs/dbraw/zinc/10/61/42/219106142.db2.gz BKXHSMQGVBIRBI-QKLQHJQFSA-N 0 0 345.487 3.228 40 0 EGABRN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2F)CC1 ZINC000100809804 219107505 /nfs/dbraw/zinc/10/75/05/219107505.db2.gz SWHFPXFOAKWFHF-BETUJISGSA-N 0 0 336.407 3.391 40 0 EGABRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2nccs2)CC1 ZINC000101000210 219113890 /nfs/dbraw/zinc/11/38/90/219113890.db2.gz VVKVAYFUYLFVKZ-TXEJJXNPSA-N 0 0 339.461 3.413 40 0 EGABRN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)C1CCCCC1 ZINC000004375498 210183955 /nfs/dbraw/zinc/18/39/55/210183955.db2.gz XQMCNCOVCVYPCS-UHFFFAOYSA-N 0 0 329.444 3.379 40 0 EGABRN COc1cccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000101276791 219120318 /nfs/dbraw/zinc/12/03/18/219120318.db2.gz VGBQXPWYASXDEU-HNNXBMFYSA-N 0 0 330.771 3.093 40 0 EGABRN COc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000101275591 219120823 /nfs/dbraw/zinc/12/08/23/219120823.db2.gz DXNIGCBLMXFTHP-MRXNPFEDSA-N 0 0 338.407 3.364 40 0 EGABRN CN1C(=O)CN(C(=O)c2ccc(-n3cccc3)c(F)c2)c2ccccc21 ZINC000178179456 530043773 /nfs/dbraw/zinc/04/37/73/530043773.db2.gz DVMVTJDWDMCTNP-UHFFFAOYSA-N 0 0 349.365 3.240 40 0 EGABRN CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO ZINC000004214270 210145713 /nfs/dbraw/zinc/14/57/13/210145713.db2.gz CMHCOGHTKXUQKW-MLLJRDQZSA-N 0 0 340.504 3.383 40 0 in-vitro EGABRN CCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccco1 ZINC000004161437 210135150 /nfs/dbraw/zinc/13/51/50/210135150.db2.gz RAJJEPDKKSDUOD-UHFFFAOYSA-N 0 0 336.461 3.345 40 0 EGABRN Fc1ccccc1NC(=S)NCc1nc(-c2cccs2)no1 ZINC000065705214 214992013 /nfs/dbraw/zinc/99/20/13/214992013.db2.gz IJQCXQMEMGMZEN-UHFFFAOYSA-N 0 0 334.401 3.424 40 0 EGABRN O=C(NCc1cccc(Cn2ccnc2)c1)[C@H]1C[C@H]1c1ccccc1 ZINC000066317649 215032999 /nfs/dbraw/zinc/03/29/99/215032999.db2.gz UFYZDMJVNRAFRX-PMACEKPBSA-N 0 0 331.419 3.351 40 0 EGABRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000003548073 210051556 /nfs/dbraw/zinc/05/15/56/210051556.db2.gz JTLFUICSSYFTJJ-UHFFFAOYSA-N 0 0 346.452 3.278 40 0 EGABRN COc1ccc(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000003474064 210048409 /nfs/dbraw/zinc/04/84/09/210048409.db2.gz AYJBTQYNRINBIF-UHFFFAOYSA-N 0 0 343.379 3.116 40 0 EGABRN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc3ccccc31)CS2 ZINC000003449095 210043373 /nfs/dbraw/zinc/04/33/73/210043373.db2.gz XPFPQOKTHOIUPS-YJBOKZPZSA-N 0 0 326.421 3.232 40 0 EGABRN CC(=O)c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000003432418 210037720 /nfs/dbraw/zinc/03/77/20/210037720.db2.gz DWTHYNHRAAAJAU-UHFFFAOYSA-N 0 0 337.828 3.064 40 0 EGABRN Cc1ccccc1/C=C/C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000044889222 213657980 /nfs/dbraw/zinc/65/79/80/213657980.db2.gz OYUTXARUYNDEKB-DXRVJIQQSA-N 0 0 346.434 3.457 40 0 EGABRN Cc1cccc(CN(Cn2nc(C(C)(C)C)ccc2=O)C2CC2)c1 ZINC000066793118 215079452 /nfs/dbraw/zinc/07/94/52/215079452.db2.gz XIXLVXPQUYSNKO-UHFFFAOYSA-N 0 0 325.456 3.471 40 0 EGABRN COc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 ZINC000044717343 213643595 /nfs/dbraw/zinc/64/35/95/213643595.db2.gz QFMVYWRITLXXNT-GOEBONIOSA-N 0 0 338.407 3.243 40 0 EGABRN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cccc(F)c2)c1 ZINC000003404829 210029432 /nfs/dbraw/zinc/02/94/32/210029432.db2.gz CWRAYUPKYWWSKJ-LBPRGKRZSA-N 0 0 329.327 3.212 40 0 EGABRN CCC(CC)NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000003359838 210017640 /nfs/dbraw/zinc/01/76/40/210017640.db2.gz SFRHTBOXDJCWRE-JXMROGBWSA-N 0 0 341.354 3.149 40 0 EGABRN CC(C)Oc1ccc(CNC(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000043749755 213595189 /nfs/dbraw/zinc/59/51/89/213595189.db2.gz 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213359085 /nfs/dbraw/zinc/35/90/85/213359085.db2.gz XCGHQVUDSXPYMT-UHFFFAOYSA-N 0 0 343.423 3.464 40 0 EGABRN O=C(Nc1ccccc1N1CCCC1=O)c1cc(=O)c2ccccc2o1 ZINC000040466414 213309034 /nfs/dbraw/zinc/30/90/34/213309034.db2.gz XRBZAHOIIVJRMA-UHFFFAOYSA-N 0 0 348.358 3.172 40 0 EGABRN CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)ncn2)CC1 ZINC000040434326 213303909 /nfs/dbraw/zinc/30/39/09/213303909.db2.gz BDVDLPSBFAWPNF-UHFFFAOYSA-N 0 0 326.828 3.189 40 0 EGABRN C[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@@H]1CC[C@@H]1C(C)(C)CC[C@@H](O)[C@]21C ZINC000252506108 290994665 /nfs/dbraw/zinc/99/46/65/290994665.db2.gz PUFYSEQCTZERQM-WBZPYZFPSA-N 0 0 334.456 3.028 40 0 biogenic,in-vitro EGABRN COc1ccc(Nc2nc3nccc(-c4ccco4)c3c(=O)[nH]2)cc1 ZINC000040372998 213293750 /nfs/dbraw/zinc/29/37/50/213293750.db2.gz STISQDAXGHNUQH-UHFFFAOYSA-N 0 0 334.335 3.330 40 0 EGABRN CCCCCCOC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000001703562 209783696 /nfs/dbraw/zinc/78/36/96/209783696.db2.gz LJGJULDLXMZVBQ-UHFFFAOYSA-N 0 0 328.434 3.066 40 0 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40 0 EGABRN COc1cccc([C@H](O)CSc2nncn2-c2ccccc2)c1 ZINC000074009473 454518908 /nfs/dbraw/zinc/51/89/08/454518908.db2.gz PJBPOVKFZNQYSR-MRXNPFEDSA-N 0 0 327.409 3.102 40 0 EGABRN CS[C@@H](C)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000103016044 454531854 /nfs/dbraw/zinc/53/18/54/454531854.db2.gz RECXIXIZFLLUCI-NSHDSACASA-N 0 0 340.404 3.177 40 0 EGABRN CC(C)(C)c1nnc([C@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000049170605 454537204 /nfs/dbraw/zinc/53/72/04/454537204.db2.gz MXMICWGGPPCTKW-AWEZNQCLSA-N 0 0 329.400 3.055 40 0 biogenic,in-vitro EGABRN O=C(Nc1nnc(C(F)F)s1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000065417611 454564626 /nfs/dbraw/zinc/56/46/26/454564626.db2.gz AXOWDSONYXOWHT-DTWKUNHWSA-N 0 0 328.319 3.292 40 0 EGABRN O=C(NCCc1nc(-c2ccccn2)cs1)c1cc2ccccn2c1 ZINC000074357876 454570355 /nfs/dbraw/zinc/57/03/55/454570355.db2.gz ZFGLLXBMRUQUMQ-UHFFFAOYSA-N 0 0 348.431 3.430 40 0 EGABRN C[C@@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)N1[C@H](C)CC[C@H]1C ZINC000191170944 455457677 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O=C(c1sccc1-n1cccc1)N1CCO[C@H](c2ccco2)C1 ZINC000176724659 454775277 /nfs/dbraw/zinc/77/52/77/454775277.db2.gz SXRHGDLICPQSDF-HNNXBMFYSA-N 0 0 328.393 3.346 40 0 EGABRN COc1ccc(Br)cc1CS(=O)(=O)c1ccccc1 ZINC000126141689 454873670 /nfs/dbraw/zinc/87/36/70/454873670.db2.gz UKJWMTZJVYUCOI-UHFFFAOYSA-N 0 0 341.226 3.432 40 0 EGABRN COc1cc(C)c(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)cc1OC ZINC000118981863 455119076 /nfs/dbraw/zinc/11/90/76/455119076.db2.gz GEIUYDNMCPFBGK-KDOFPFPSSA-N 0 0 335.444 3.193 40 0 EGABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000156741671 455147681 /nfs/dbraw/zinc/14/76/81/455147681.db2.gz MXKPLSOBLGZIIA-UHFFFAOYSA-N 0 0 343.763 3.067 40 0 EGABRN Fc1ccc(Cn2cc(CNc3ccc(-n4cncn4)cc3)cn2)cc1 ZINC000189317985 455176429 /nfs/dbraw/zinc/17/64/29/455176429.db2.gz ASQCUACIQABJNI-UHFFFAOYSA-N 0 0 348.385 3.263 40 0 EGABRN CS(=O)(=O)C[C@@H](NCc1cc(F)ccc1Cl)c1ccccc1 ZINC000189346562 455181589 /nfs/dbraw/zinc/18/15/89/455181589.db2.gz PPAJMXPMFROSEK-MRXNPFEDSA-N 0 0 341.835 3.355 40 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PBCHVGNSQKLLFH-UHFFFAOYSA-N 0 0 334.404 3.412 40 0 EGABRN CC[C@H](NC(=O)N1CCO[C@H](c2nc(C)cs2)C1)c1ccncc1 ZINC000252498000 455814662 /nfs/dbraw/zinc/81/46/62/455814662.db2.gz QTQNDDWWIAFNTF-GJZGRUSLSA-N 0 0 346.456 3.081 40 0 EGABRN O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)c1conc1C1CC1 ZINC000252501706 455814995 /nfs/dbraw/zinc/81/49/95/455814995.db2.gz UIDYZMHVKVBTBE-UHFFFAOYSA-N 0 0 348.362 3.452 40 0 EGABRN O=C(Cc1cncnc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000252498929 455815637 /nfs/dbraw/zinc/81/56/37/455815637.db2.gz RRAXYRJMKQCAMH-FQEVSTJZSA-N 0 0 329.403 3.193 40 0 EGABRN CO[C@@H]1CC[C@@H]2OCCN(C(=O)CC3CC(c4ccccc4)C3)[C@H]2C1 ZINC000252540517 455822117 /nfs/dbraw/zinc/82/21/17/455822117.db2.gz PJVPVWADJWYVQK-ABZWLXOVSA-N 0 0 343.467 3.365 40 0 EGABRN COc1ccc(O[C@@H](C)CNC(=O)[C@@H]2CCCC(F)(F)C2)cc1 ZINC000253396779 455839288 /nfs/dbraw/zinc/83/92/88/455839288.db2.gz DLNGWMGHUPFFPG-QWHCGFSZSA-N 0 0 327.371 3.404 40 0 EGABRN CCc1nnc(CN2C[C@H](C)CC[C@@H]2c2ccccc2OC)n1C ZINC000253417476 455841693 /nfs/dbraw/zinc/84/16/93/455841693.db2.gz VXGUNEJGFKPHJT-GDBMZVCRSA-N 0 0 328.460 3.359 40 0 EGABRN Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000253419146 455843604 /nfs/dbraw/zinc/84/36/04/455843604.db2.gz ALJBMDIKIACRNG-ZFWWWQNUSA-N 0 0 330.432 3.221 40 0 EGABRN CC(C)c1nnc(N2CCC(NC(=O)c3ccsc3)CC2)s1 ZINC000253429277 455846315 /nfs/dbraw/zinc/84/63/15/455846315.db2.gz CHCLNFJTAQKFGJ-UHFFFAOYSA-N 0 0 336.486 3.122 40 0 EGABRN Cc1cnc(C)c(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000253430319 455847861 /nfs/dbraw/zinc/84/78/61/455847861.db2.gz XVAJLNXMCRVAOL-LBPRGKRZSA-N 0 0 325.338 3.150 40 0 EGABRN O=C(N[C@@H]1CCSc2c(F)cccc21)N[C@H]1CCCc2c[nH]nc21 ZINC000253430387 455847909 /nfs/dbraw/zinc/84/79/09/455847909.db2.gz KWQJKTPLUYWOKN-KGLIPLIRSA-N 0 0 346.431 3.463 40 0 EGABRN COc1ccc([C@H](NC(=O)C[S@](=O)C2CCCCC2)C2CC2)cc1 ZINC000194579321 455860789 /nfs/dbraw/zinc/86/07/89/455860789.db2.gz IVTXAOOREVHVHF-DVECYGJZSA-N 0 0 349.496 3.344 40 0 EGABRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cc1ccncc1 ZINC000187043974 455865436 /nfs/dbraw/zinc/86/54/36/455865436.db2.gz VHFNEHGWBQQIAD-GUYCJALGSA-N 0 0 330.815 3.266 40 0 EGABRN Cc1nc(CNc2cccc(C[S@@](=O)c3ccccc3)c2)no1 ZINC000194736595 455878547 /nfs/dbraw/zinc/87/85/47/455878547.db2.gz HGGWHKKECAGCDW-HSZRJFAPSA-N 0 0 327.409 3.298 40 0 EGABRN CCC[C@]1(COC)CCCN1C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000194758363 455880481 /nfs/dbraw/zinc/88/04/81/455880481.db2.gz CJEXQWIIRSOKHZ-HXOBKFHXSA-N 0 0 338.473 3.237 40 0 EGABRN CC(C)c1ncc(CN2CCCC[C@@H]2c2ccnc(N(C)C)n2)cn1 ZINC000257274169 455880512 /nfs/dbraw/zinc/88/05/12/455880512.db2.gz NJVRLNNGJCARIE-QGZVFWFLSA-N 0 0 340.475 3.183 40 0 EGABRN Cc1cc(-c2cnc(CC3CCN(C(=O)C(C)(C)C)CC3)cn2)n[nH]1 ZINC000257280967 455881445 /nfs/dbraw/zinc/88/14/45/455881445.db2.gz ONDAKSGGFVCJJL-UHFFFAOYSA-N 0 0 341.459 3.002 40 0 EGABRN Cc1c[nH]nc1[C@H]1CCCCN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000257282920 455881676 /nfs/dbraw/zinc/88/16/76/455881676.db2.gz OVWRIHXMZVFEKA-MRXNPFEDSA-N 0 0 337.427 3.281 40 0 EGABRN Cc1cnc([C@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)s1 ZINC000257279949 455882067 /nfs/dbraw/zinc/88/20/67/455882067.db2.gz OIWNXYHDJLHNSK-ZDUSSCGKSA-N 0 0 328.441 3.139 40 0 EGABRN COCCC(=O)N[C@@H]1C[C@H](c2cc(F)cc(F)c2)O[C@@H]2CCC[C@H]21 ZINC000257299644 455886985 /nfs/dbraw/zinc/88/69/85/455886985.db2.gz RQXWFNGNXZHMAZ-YLFCFFPRSA-N 0 0 339.382 3.116 40 0 EGABRN Cc1cccc(Nc2cnc([C@@H]3CCCN(Cc4c[nH]cn4)C3)cn2)n1 ZINC000257305319 455887732 /nfs/dbraw/zinc/88/77/32/455887732.db2.gz SPKDBHUXGDVDOA-OAHLLOKOSA-N 0 0 349.442 3.026 40 0 EGABRN Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000257313309 455888930 /nfs/dbraw/zinc/88/89/30/455888930.db2.gz URTVJFQUYFFGIG-MRXNPFEDSA-N 0 0 349.394 3.121 40 0 EGABRN Cc1cnc(C(=O)N2CCC[C@@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257325644 455891648 /nfs/dbraw/zinc/89/16/48/455891648.db2.gz WTUNNMVZZJZQNP-INIZCTEOSA-N 0 0 346.434 3.428 40 0 EGABRN O=C(Cc1cccs1)N1CCCC[C@H]1c1ccn2nccc2n1 ZINC000257326061 455892134 /nfs/dbraw/zinc/89/21/34/455892134.db2.gz WVQGUBPZBHDTOE-HNNXBMFYSA-N 0 0 326.425 3.087 40 0 EGABRN COC(=O)c1ccc([C@H]2C[C@@H](NC(=O)C(C)C)[C@@H]3CCC[C@H]3O2)cc1 ZINC000257328594 455892615 /nfs/dbraw/zinc/89/26/15/455892615.db2.gz XGIVIAPGKDGOOS-BSDSXHPESA-N 0 0 345.439 3.244 40 0 EGABRN CC(C)[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(=O)[O-])c2)C1 ZINC000257331800 455894834 /nfs/dbraw/zinc/89/48/34/455894834.db2.gz XUHPHJSXWAGJCF-INIZCTEOSA-N 0 0 325.412 3.430 40 0 EGABRN Cc1onc(C(C)C)c1C(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257343783 455895759 /nfs/dbraw/zinc/89/57/59/455895759.db2.gz ZUKBFJHECNKSKY-HNNXBMFYSA-N 0 0 342.443 3.242 40 0 EGABRN O=C(C[C@@H]1CCCCO1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000194945731 455903817 /nfs/dbraw/zinc/90/38/17/455903817.db2.gz DQMRZEUPKJDXDI-KRWDZBQOSA-N 0 0 333.403 3.206 40 0 EGABRN Cc1cc(Nc2cnn(Cc3ccccn3)c2)nc(-c2cccnc2)n1 ZINC000194977395 455908059 /nfs/dbraw/zinc/90/80/59/455908059.db2.gz KUDSAKPMANEIKT-UHFFFAOYSA-N 0 0 343.394 3.230 40 0 EGABRN 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/nfs/dbraw/zinc/47/84/11/453478411.db2.gz QYEFAAAGPQSHDU-UHFFFAOYSA-N 0 0 343.379 3.441 40 0 EGABRN C[C@@H](Oc1ccccc1-c1ccccc1)C(=O)N[C@H]1CCCOC1 ZINC000013995936 453496350 /nfs/dbraw/zinc/49/63/50/453496350.db2.gz IRBKVNQCDFSGGT-WBVHZDCISA-N 0 0 325.408 3.416 40 0 EGABRN CCCNC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1 ZINC000014009822 453497604 /nfs/dbraw/zinc/49/76/04/453497604.db2.gz UIABPPYHXBOIJI-UHFFFAOYSA-N 0 0 326.396 3.152 40 0 EGABRN O=C(Nc1ccccc1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000014083124 453503835 /nfs/dbraw/zinc/50/38/35/453503835.db2.gz OZRQRMROTZOSAI-UHFFFAOYSA-N 0 0 329.421 3.412 40 0 EGABRN CC(=O)c1cccc(NC(=O)CN(C)CCOc2ccc(C)cc2)c1 ZINC000014095902 453505072 /nfs/dbraw/zinc/50/50/72/453505072.db2.gz ADAGQEFQZUABCU-UHFFFAOYSA-N 0 0 340.423 3.147 40 0 EGABRN CC[C@@H](C)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1 ZINC000014201827 453519590 /nfs/dbraw/zinc/51/95/90/453519590.db2.gz XUYFPXNTSPXLRC-GFCCVEGCSA-N 0 0 346.452 3.408 40 0 EGABRN O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014234594 453522586 /nfs/dbraw/zinc/52/25/86/453522586.db2.gz GPWWFEGTRKMTQE-FNORWQNLSA-N 0 0 331.734 3.301 40 0 EGABRN CCCCc1nn2c(nc(CN(C)c3ccccc3)cc2=O)s1 ZINC000015731863 453583624 /nfs/dbraw/zinc/58/36/24/453583624.db2.gz ITXKCOWWBWOAPS-UHFFFAOYSA-N 0 0 328.441 3.130 40 0 EGABRN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000016035460 453592171 /nfs/dbraw/zinc/59/21/71/453592171.db2.gz LKESYTWSCKOIMC-GMTAPVOTSA-N 0 0 331.243 3.430 40 0 EGABRN CCc1c(O)nc(SCC(=O)c2ccccc2)n([C@H](C)CC)c1=O ZINC000016161149 453596898 /nfs/dbraw/zinc/59/68/98/453596898.db2.gz BAMHGRVCQQJFIK-GFCCVEGCSA-N 0 0 346.452 3.457 40 0 EGABRN O=C1NC(=S)NC1=Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000016399526 453604840 /nfs/dbraw/zinc/60/48/40/453604840.db2.gz LSLNGFZUTDYCNC-OQLLNIDSSA-N 0 0 344.823 3.264 40 0 EGABRN CCn1c(CNC(=O)c2ccc(Br)o2)nc2ccccc21 ZINC000016695730 453619281 /nfs/dbraw/zinc/61/92/81/453619281.db2.gz VHNKPMGVKMEKML-UHFFFAOYSA-N 0 0 348.200 3.342 40 0 EGABRN CC(=O)n1cnc2c1SC(c1ccc(Cl)cc1)=NN2C(C)=O ZINC000016777545 453621419 /nfs/dbraw/zinc/62/14/19/453621419.db2.gz CUBRGDOYWIXQSP-UHFFFAOYSA-N 0 0 334.788 3.017 40 0 EGABRN COC(=O)c1cccc(NC(=O)COc2cccc(C)c2C)c1C ZINC000018051374 453641899 /nfs/dbraw/zinc/64/18/99/453641899.db2.gz UYHCETFMXVFVCL-UHFFFAOYSA-N 0 0 327.380 3.416 40 0 EGABRN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(CC(C)C)cc2)n1 ZINC000018188419 453647190 /nfs/dbraw/zinc/64/71/90/453647190.db2.gz GLZZUBUETBBYOO-UHFFFAOYSA-N 0 0 331.441 3.008 40 0 EGABRN C[C@H](C(=O)Nc1ncc(Cc2ccccc2F)s1)n1ccnc1 ZINC000019080766 453653637 /nfs/dbraw/zinc/65/36/37/453653637.db2.gz UWVOLPDTOYWNEV-LLVKDONJSA-N 0 0 330.388 3.269 40 0 EGABRN Cc1ccc(SCCNC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000020239194 453662837 /nfs/dbraw/zinc/66/28/37/453662837.db2.gz SIAFOCGWVBKBBR-KRWDZBQOSA-N 0 0 329.421 3.043 40 0 EGABRN O=C(CN1CCCCCC1=O)Nc1ccccc1N1CCCCC1 ZINC000021333725 453675167 /nfs/dbraw/zinc/67/51/67/453675167.db2.gz HOYCAMLVZHTNBC-UHFFFAOYSA-N 0 0 329.444 3.018 40 0 EGABRN CC(C)C(=O)NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000021596316 453678647 /nfs/dbraw/zinc/67/86/47/453678647.db2.gz UNGGTVNWTUIBJW-UHFFFAOYSA-N 0 0 325.865 3.409 40 0 EGABRN COc1ccc(C(=O)NC(=S)Nc2cccc(C)c2)c(OC)c1 ZINC000021595722 453678775 /nfs/dbraw/zinc/67/87/75/453678775.db2.gz NRUVCZSXYCYLOB-UHFFFAOYSA-N 0 0 330.409 3.139 40 0 EGABRN O=C(CCCc1nc(-c2ccccc2)no1)NCCc1ccccc1 ZINC000021596702 453679150 /nfs/dbraw/zinc/67/91/50/453679150.db2.gz FMHFYDOYVXNXRE-UHFFFAOYSA-N 0 0 335.407 3.418 40 0 EGABRN COc1cccc(OC)c1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000022535336 453693990 /nfs/dbraw/zinc/69/39/90/453693990.db2.gz MXWBNJBVYZZTCM-UHFFFAOYSA-N 0 0 329.396 3.421 40 0 EGABRN COC(=O)c1cc(NC(=O)CCNc2ccccc2C)ccc1F ZINC000024434763 453733759 /nfs/dbraw/zinc/73/37/59/453733759.db2.gz NDONYJLUCUABOX-UHFFFAOYSA-N 0 0 330.359 3.361 40 0 EGABRN CN(Cc1cnn(C)c1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000024478767 453734756 /nfs/dbraw/zinc/73/47/56/453734756.db2.gz UFRYLEHZFRNKKB-UHFFFAOYSA-N 0 0 339.420 3.313 40 0 EGABRN Cc1ccc(OCC(=O)NCc2nc(-c3cccs3)no2)cc1C ZINC000024577193 453737914 /nfs/dbraw/zinc/73/79/14/453737914.db2.gz ZSVXPBMDWRRHHE-UHFFFAOYSA-N 0 0 343.408 3.110 40 0 EGABRN Fc1ccc(CN2CCN(c3nccs3)CC2)c2ncccc12 ZINC000024680384 453742082 /nfs/dbraw/zinc/74/20/82/453742082.db2.gz XZTQOAWOVPZZSN-UHFFFAOYSA-N 0 0 328.416 3.153 40 0 EGABRN COc1ccc(CCNC(=O)N2CCc3ccccc32)cc1OC ZINC000024950187 453752285 /nfs/dbraw/zinc/75/22/85/453752285.db2.gz ZQUHCJOMZNDQLS-UHFFFAOYSA-N 0 0 326.396 3.019 40 0 EGABRN Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1CCCc2c1cnn2C ZINC000024996218 453754800 /nfs/dbraw/zinc/75/48/00/453754800.db2.gz BECMZUKRIXDIIP-INIZCTEOSA-N 0 0 340.402 3.085 40 0 EGABRN Cc1cc(CN(C)C(=O)c2cc(C)n(Cc3ccco3)c2C)no1 ZINC000025136798 453759617 /nfs/dbraw/zinc/75/96/17/453759617.db2.gz MKXSXUPNPFNJKO-UHFFFAOYSA-N 0 0 327.384 3.315 40 0 EGABRN Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000026019521 453791494 /nfs/dbraw/zinc/79/14/94/453791494.db2.gz VDIVVOMCNMXYIU-OAHLLOKOSA-N 0 0 342.826 3.318 40 0 EGABRN CSCC[C@@H]1NC(=S)N([C@H](c2ccc(C)cc2)C2CC2)C1=O ZINC000027223506 453813357 /nfs/dbraw/zinc/81/33/57/453813357.db2.gz REVUHSBCLXUVEP-LSDHHAIUSA-N 0 0 334.510 3.285 40 0 EGABRN COc1cccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 ZINC000028188488 453822445 /nfs/dbraw/zinc/82/24/45/453822445.db2.gz GJZRWWLEWPLONY-UHFFFAOYSA-N 0 0 329.381 3.079 40 0 EGABRN Cc1cc(C)c(-c2csc(NC(=O)c3ccc(=O)[nH]n3)n2)cc1C ZINC000028718946 453824336 /nfs/dbraw/zinc/82/43/36/453824336.db2.gz JZJFEELRGBTVFX-UHFFFAOYSA-N 0 0 340.408 3.483 40 0 EGABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000030865192 453840058 /nfs/dbraw/zinc/84/00/58/453840058.db2.gz XULPEUOTIOCIDL-CQSZACIVSA-N 0 0 332.787 3.235 40 0 EGABRN COC(=O)c1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 ZINC000030946551 453842218 /nfs/dbraw/zinc/84/22/18/453842218.db2.gz AARNMEZMIJTVFK-UHFFFAOYSA-N 0 0 349.390 3.279 40 0 EGABRN C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)cc1F ZINC000031075976 453846070 /nfs/dbraw/zinc/84/60/70/453846070.db2.gz QWCKFEWGUBEWQP-SECBINFHSA-N 0 0 329.393 3.334 40 0 EGABRN Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000031405044 453846920 /nfs/dbraw/zinc/84/69/20/453846920.db2.gz JRVFISMUDLUUSQ-NSHDSACASA-N 0 0 347.374 3.469 40 0 EGABRN CSc1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000031497536 453847908 /nfs/dbraw/zinc/84/79/08/453847908.db2.gz WJZWLGCIZAOAOA-GFCCVEGCSA-N 0 0 349.477 3.303 40 0 EGABRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 ZINC000032081418 453863906 /nfs/dbraw/zinc/86/39/06/453863906.db2.gz ROCDKHVWCBUHJR-UHFFFAOYSA-N 0 0 346.452 3.237 40 0 EGABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000075156749 453867700 /nfs/dbraw/zinc/86/77/00/453867700.db2.gz SWUCYHHBHBDVJM-NEPJUHHUSA-N 0 0 334.803 3.337 40 0 EGABRN Cc1cc(C(F)(F)F)nc(CCNC(=O)c2ccc(Cl)s2)n1 ZINC000075170680 453868286 /nfs/dbraw/zinc/86/82/86/453868286.db2.gz NBEFOQPFYYNFSU-UHFFFAOYSA-N 0 0 349.765 3.491 40 0 EGABRN O=C(COc1ccc(Cl)cc1)Nc1cc(N2CCCCC2)ncn1 ZINC000075166275 453868437 /nfs/dbraw/zinc/86/84/37/453868437.db2.gz OONJKKFIZKOKKH-UHFFFAOYSA-N 0 0 346.818 3.138 40 0 EGABRN CN(C(=O)CCCCNC(N)=O)C1c2ccccc2-c2ccccc21 ZINC000081456078 453873676 /nfs/dbraw/zinc/87/36/76/453873676.db2.gz WYEVAHSWBYALCG-UHFFFAOYSA-N 0 0 337.423 3.053 40 0 EGABRN Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1ccncc1 ZINC000032609847 453879886 /nfs/dbraw/zinc/87/98/86/453879886.db2.gz PKBLNQNAANMBBN-UHFFFAOYSA-N 0 0 340.358 3.323 40 0 EGABRN Cc1nc(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)sc1C ZINC000075335617 453881032 /nfs/dbraw/zinc/88/10/32/453881032.db2.gz WKWYDCYYEOAAIJ-UHFFFAOYSA-N 0 0 348.443 3.264 40 0 EGABRN CSCC[C@H](C)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000081547372 453884806 /nfs/dbraw/zinc/88/48/06/453884806.db2.gz HNZJTHVFVYXADW-NSHDSACASA-N 0 0 331.441 3.485 40 0 EGABRN COC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)cc1Cl ZINC000032755028 453889112 /nfs/dbraw/zinc/88/91/12/453889112.db2.gz XQTZULKAYANJDS-UHFFFAOYSA-N 0 0 344.747 3.033 40 0 EGABRN Cc1csc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)n1 ZINC000032901048 453896069 /nfs/dbraw/zinc/89/60/69/453896069.db2.gz YSTVEZXVNHYQRJ-UHFFFAOYSA-N 0 0 343.456 3.095 40 0 EGABRN CCCc1nccn1S(=O)(=O)c1cc(Cl)c(C)cc1OC ZINC000035170648 453922503 /nfs/dbraw/zinc/92/25/03/453922503.db2.gz NOBHMABCKWTNFQ-UHFFFAOYSA-N 0 0 328.821 3.043 40 0 EGABRN COc1cccc(N(Cc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000035758591 453924579 /nfs/dbraw/zinc/92/45/79/453924579.db2.gz GCDFBEXXHGGZOC-UHFFFAOYSA-N 0 0 325.817 3.315 40 0 EGABRN Cc1cccc(-n2ncc(Br)c(Br)c2=O)c1 ZINC000036204329 453926674 /nfs/dbraw/zinc/92/66/74/453926674.db2.gz PCFQFTWDXDICMA-UHFFFAOYSA-N 0 0 344.006 3.066 40 0 EGABRN C[C@@H](C(=O)Nc1ccccc1Cl)S(=O)(=O)c1cccc(F)c1 ZINC000083994068 453964296 /nfs/dbraw/zinc/96/42/96/453964296.db2.gz RBYAPIWHGXNNQN-JTQLQIEISA-N 0 0 341.791 3.280 40 0 EGABRN O=C(NCc1ccncc1)C1(c2ccc(Br)cc2)CC1 ZINC000041816844 453979657 /nfs/dbraw/zinc/97/96/57/453979657.db2.gz KMUOYJQMYSICAC-UHFFFAOYSA-N 0 0 331.213 3.192 40 0 EGABRN C[C@@H](CC(=O)N1CCN(c2ncccc2F)CC1)c1ccccc1 ZINC000084484753 453990924 /nfs/dbraw/zinc/99/09/24/453990924.db2.gz HIPQKYFNEQWOTK-HNNXBMFYSA-N 0 0 327.403 3.063 40 0 EGABRN COc1ccc(CCNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1OC ZINC000068240529 454010279 /nfs/dbraw/zinc/01/02/79/454010279.db2.gz UHBWXARZNWTQQE-OAHLLOKOSA-N 0 0 343.423 3.138 40 0 EGABRN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000042645768 454017955 /nfs/dbraw/zinc/01/79/55/454017955.db2.gz MDBHRDKRHRBBFL-MFKMUULPSA-N 0 0 339.233 3.083 40 0 EGABRN Cc1c(NC(=O)[C@H](C)Sc2ccccn2)n[nH]c1-c1ccncc1 ZINC000084973919 454018996 /nfs/dbraw/zinc/01/89/96/454018996.db2.gz YJRLDSBACYRJHF-LBPRGKRZSA-N 0 0 339.424 3.294 40 0 EGABRN CNC(=O)c1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1 ZINC000042711076 454021632 /nfs/dbraw/zinc/02/16/32/454021632.db2.gz YSNQDNYNRCDKQH-UHFFFAOYSA-N 0 0 340.427 3.127 40 0 EGABRN C[C@H](CC[C@H]1CCCO1)NC(=O)c1c[nH]nc1-c1ccccc1F ZINC000087236055 454071844 /nfs/dbraw/zinc/07/18/44/454071844.db2.gz ZFUPFKKRCPAMDY-CHWSQXEVSA-N 0 0 331.391 3.293 40 0 EGABRN 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345.403 3.007 40 0 EGABRN CN1C(=O)CC[C@H](C(=O)NCc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000057355541 454121246 /nfs/dbraw/zinc/12/12/46/454121246.db2.gz XDOYYXCVWJZGNK-HKUYNNGSSA-N 0 0 340.398 3.052 40 0 EGABRN Cc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C ZINC000044874637 454123774 /nfs/dbraw/zinc/12/37/74/454123774.db2.gz AWVQEMSCNQUTMD-LLVKDONJSA-N 0 0 337.466 3.259 40 0 EGABRN COC(=O)[C@H](C)[C@@H](NCc1nc2ccccc2n1C)c1ccccc1 ZINC000089141009 454123898 /nfs/dbraw/zinc/12/38/98/454123898.db2.gz NJXXEJZFQDKZBG-AUUYWEPGSA-N 0 0 337.423 3.213 40 0 EGABRN CC(C)c1nc(CNC(=O)NC[C@](C)(O)c2ccsc2)cs1 ZINC000077567088 454124476 /nfs/dbraw/zinc/12/44/76/454124476.db2.gz ZDJCWZLWMTYTDE-HNNXBMFYSA-N 0 0 339.486 3.035 40 0 EGABRN Cc1nc(COc2ccccc2C(=O)N[C@@H]2CCc3ccccc32)no1 ZINC000044894652 454125169 /nfs/dbraw/zinc/12/51/69/454125169.db2.gz ABSNBALJIXPZNZ-QGZVFWFLSA-N 0 0 349.390 3.374 40 0 EGABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(N)=O ZINC000044904457 454125952 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3.275 40 0 EGABRN COc1ccc([C@@H]2Cn3ccnc3CN2Cc2ccncc2C)cc1 ZINC000257299552 277929534 /nfs/dbraw/zinc/92/95/34/277929534.db2.gz RQMRWCXYBSJSLZ-IBGZPJMESA-N 0 0 334.423 3.352 40 0 EGABRN CC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072376785 277993653 /nfs/dbraw/zinc/99/36/53/277993653.db2.gz CCLRHCPPKZLLPC-OAHLLOKOSA-N 0 0 330.819 3.453 40 0 EGABRN C[C@@]12CC[C@H]3c4ccc(OS(C)(=O)=O)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000104386224 278131549 /nfs/dbraw/zinc/13/15/49/278131549.db2.gz LOGOAZBRSNBVIZ-LSTDLKDCSA-N 0 0 348.464 3.450 40 0 EGABRN CC(=O)O[C@H]1CCC2=C3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3[C@H](O)[C@]2(C)C1 ZINC000005029409 278221809 /nfs/dbraw/zinc/22/18/09/278221809.db2.gz FAIGPYQQVFEBCM-KIPZINNNSA-N 0 0 332.440 3.175 40 0 EGABRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000079044723 278250585 /nfs/dbraw/zinc/25/05/85/278250585.db2.gz ICUGUIJEJHONCC-STQMWFEESA-N 0 0 345.830 3.073 40 0 EGABRN CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)C2CCCC2)C1 ZINC000012220989 278398345 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C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)C[C@@H](C)C1 ZINC000096483754 290551019 /nfs/dbraw/zinc/55/10/19/290551019.db2.gz UMWUCZLPCBTXRP-KBPBESRZSA-N 0 0 329.444 3.215 40 0 EGABRN Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)Nc1cccnc1C ZINC000227150073 292834149 /nfs/dbraw/zinc/83/41/49/292834149.db2.gz BATQSBJONFNWKX-HNNXBMFYSA-N 0 0 336.395 3.290 40 0 EGABRN Cn1ccc(C(=O)N[C@H]2CCCOc3c4ccccc4ccc32)cc1=O ZINC000084230116 294338414 /nfs/dbraw/zinc/33/84/14/294338414.db2.gz PSSPKACCXYLPJB-SFHVURJKSA-N 0 0 348.402 3.182 40 0 EGABRN COc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CCCC1 ZINC000004968239 295386314 /nfs/dbraw/zinc/38/63/14/295386314.db2.gz WPGBDVAPOKIDRU-SFHVURJKSA-N 0 0 341.459 3.372 40 0 EGABRN C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000118923432 297925574 /nfs/dbraw/zinc/92/55/74/297925574.db2.gz OFGHFEJLUUXXNZ-BKWFDSNZSA-N 0 0 338.463 3.412 40 0 EGABRN C[C@H](C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1)n1ccnc1 ZINC000096407609 298070606 /nfs/dbraw/zinc/07/06/06/298070606.db2.gz SPMMPVKAUCXRAA-DOMZBBRYSA-N 0 0 335.860 3.414 40 0 EGABRN CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)cc1 ZINC000331477554 308807894 /nfs/dbraw/zinc/80/78/94/308807894.db2.gz SVKSQXBYUASUOS-DOTOQJQBSA-N 0 0 326.444 3.054 40 0 EGABRN CC[C@H]1c2ccsc2CCN1C(=O)Cn1cnc(C(C)(C)C)n1 ZINC000332254375 308831764 /nfs/dbraw/zinc/83/17/64/308831764.db2.gz TXUOSSPKOLYNSD-ZDUSSCGKSA-N 0 0 332.473 3.173 40 0 EGABRN CCOC(=O)N[C@@H](CNC(=O)c1ccc(F)cc1Cl)CC(C)C ZINC000031704791 453852561 /nfs/dbraw/zinc/85/25/61/453852561.db2.gz BUQNKNNQMZCUTJ-GFCCVEGCSA-N 0 0 344.814 3.370 40 0 EGABRN C[C@@H](OC(=O)c1ncccc1OCC(F)(F)F)c1nccs1 ZINC000083955750 453962521 /nfs/dbraw/zinc/96/25/21/453962521.db2.gz PFXWTNSEAVMEEG-MRVPVSSYSA-N 0 0 332.303 3.397 40 0 EGABRN Cc1nnc([C@@H](C)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)o1 ZINC000097373724 323215473 /nfs/dbraw/zinc/21/54/73/323215473.db2.gz LBXCPBZOBSCYLQ-GHMZBOCLSA-N 0 0 329.379 3.423 40 0 EGABRN COc1ccc(OC)c(CN(C(=O)c2csnc2C)C2CC2)c1 ZINC000097237461 323215730 /nfs/dbraw/zinc/21/57/30/323215730.db2.gz BTHLWVINJOYRKF-UHFFFAOYSA-N 0 0 332.425 3.274 40 0 EGABRN CCC(C)(C)[C@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1OC ZINC000097371473 323215773 /nfs/dbraw/zinc/21/57/73/323215773.db2.gz ITPIIXYLZBOTAU-CQSZACIVSA-N 0 0 330.432 3.018 40 0 EGABRN C[S@@](=O)Cc1ccccc1NC(=O)c1cc(F)c(F)cc1F ZINC000185965499 323718642 /nfs/dbraw/zinc/71/86/42/323718642.db2.gz ZFPBTJVHIXDSEE-JOCHJYFZSA-N 0 0 327.327 3.235 40 0 EGABRN CC[C@H](NC(=O)N[C@H](C)c1ccncc1OC)c1c(C)noc1C ZINC000186765676 323736239 /nfs/dbraw/zinc/73/62/39/323736239.db2.gz VOFYIPZLALEDRN-YGRLFVJLSA-N 0 0 332.404 3.207 40 0 EGABRN Cc1occc1SCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000195568416 323888532 /nfs/dbraw/zinc/88/85/32/323888532.db2.gz ZBWOMEGOSLFFFR-UHFFFAOYSA-N 0 0 327.409 3.182 40 0 EGABRN CCOc1cccnc1-c1nc(-c2cncc(Br)c2)no1 ZINC000390833785 324283030 /nfs/dbraw/zinc/28/30/30/324283030.db2.gz MZZOUOKBEXUYKB-UHFFFAOYSA-N 0 0 347.172 3.355 40 0 EGABRN Cc1cnc([C@@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C2CC2)s1 ZINC000390835527 324284054 /nfs/dbraw/zinc/28/40/54/324284054.db2.gz PPOCGILRRAGDHT-HNNXBMFYSA-N 0 0 345.472 3.215 40 0 EGABRN O=C(NCc1cccc(-c2ccccn2)c1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000390835034 324284472 /nfs/dbraw/zinc/28/44/72/324284472.db2.gz BDCGBJUDEYRIGN-RBUKOAKNSA-N 0 0 337.423 3.115 40 0 EGABRN COc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)c(OC)c1 ZINC000000176532 452526706 /nfs/dbraw/zinc/52/67/06/452526706.db2.gz WVZHXKBZERKYFK-DHDCSXOGSA-N 0 0 327.311 3.187 40 0 EGABRN COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CCC[C@@H]1C ZINC000000194982 452532926 /nfs/dbraw/zinc/53/29/26/452532926.db2.gz AAARFYHWLYVBBW-PZSREKOKSA-N 0 0 344.411 3.055 40 0 EGABRN CN(C)c1ccc2c3c1cccc3C(=O)N(c1ccc(O)cc1)C2=O ZINC000000271797 452551559 /nfs/dbraw/zinc/55/15/59/452551559.db2.gz VRWFMXOEWBIHLO-UHFFFAOYSA-N 0 0 332.359 3.412 40 0 EGABRN COc1ccccc1NC(=O)c1cc(-n2cnnc2)ccc1Cl ZINC000000360415 452572014 /nfs/dbraw/zinc/57/20/14/452572014.db2.gz JOHITEAULPFQIV-UHFFFAOYSA-N 0 0 328.759 3.182 40 0 EGABRN CC(C)c1ccc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000000416455 452583756 /nfs/dbraw/zinc/58/37/56/452583756.db2.gz DRHOPLYKXDSGCF-UHFFFAOYSA-N 0 0 339.374 3.241 40 0 EGABRN Cc1cccc(C)c1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000000557392 452622005 /nfs/dbraw/zinc/62/20/05/452622005.db2.gz VEAWXGHFFIKXQF-UHFFFAOYSA-N 0 0 328.393 3.159 40 0 EGABRN CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(C)c(C)c2)c1 ZINC000000559248 452622377 /nfs/dbraw/zinc/62/23/77/452622377.db2.gz WUJBZAHXRZUEMQ-UHFFFAOYSA-N 0 0 325.364 3.302 40 0 EGABRN CC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000000570333 452626501 /nfs/dbraw/zinc/62/65/01/452626501.db2.gz QYTJMNVPRIDQDE-KPKJPENVSA-N 0 0 339.420 3.171 40 0 EGABRN COc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)c(OC)c1OC ZINC000000582115 452627937 /nfs/dbraw/zinc/62/79/37/452627937.db2.gz VLXOGFLNRAXBCX-ACCUITESSA-N 0 0 341.407 3.384 40 0 EGABRN COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000000574390 452628632 /nfs/dbraw/zinc/62/86/32/452628632.db2.gz JVPINXIGSFUFGR-VAWYXSNFSA-N 0 0 340.379 3.314 40 0 EGABRN Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000001044627 452643037 /nfs/dbraw/zinc/64/30/37/452643037.db2.gz XFOFMDSRXDPDMN-UHFFFAOYSA-N 0 0 344.436 3.177 40 0 EGABRN CC[C@H](C)C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 ZINC000001328130 452652509 /nfs/dbraw/zinc/65/25/09/452652509.db2.gz BAXYYOHGCBHUOO-VIFPVBQESA-N 0 0 331.397 3.126 40 0 EGABRN O=C(Nc1ccc(NC(=O)c2cccc(F)c2)cn1)c1ccco1 ZINC000001358365 452654451 /nfs/dbraw/zinc/65/44/51/452654451.db2.gz NPXHJZWXHIZYFI-UHFFFAOYSA-N 0 0 325.299 3.318 40 0 EGABRN CC(C)OC(=O)c1cc2c(ccn2C)n1CC(=O)OC1CCCCC1 ZINC000001355079 452655765 /nfs/dbraw/zinc/65/57/65/452655765.db2.gz UIDMYXQUKGZNBX-UHFFFAOYSA-N 0 0 346.427 3.421 40 0 EGABRN CCOc1ccc(NC2=NCC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000001360531 452656450 /nfs/dbraw/zinc/65/64/50/452656450.db2.gz JIUQXCBCGNGTKL-UHFFFAOYSA-N 0 0 339.395 3.299 40 0 EGABRN CC(C)[C@H](OC(=O)c1cccs1)C(=O)NCc1ccc(F)cc1 ZINC000001381118 452656651 /nfs/dbraw/zinc/65/66/51/452656651.db2.gz LNFHKRMYUROUFW-HNNXBMFYSA-N 0 0 335.400 3.385 40 0 EGABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(C)=O)cc2c1 ZINC000001366795 452656857 /nfs/dbraw/zinc/65/68/57/452656857.db2.gz RZQSBVOXOIGGSP-UHFFFAOYSA-N 0 0 336.391 3.085 40 0 EGABRN CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccoc1C ZINC000001361184 452657140 /nfs/dbraw/zinc/65/71/40/452657140.db2.gz GWTGQLDXWLGCAE-UHFFFAOYSA-N 0 0 334.445 3.017 40 0 EGABRN COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NC1CCCCC1 ZINC000001379740 452657245 /nfs/dbraw/zinc/65/72/45/452657245.db2.gz ASQJDSUTWCTUOM-INIZCTEOSA-N 0 0 345.443 3.140 40 0 EGABRN CC(C)(C)NC(=O)CSc1nnc2c3cc(Cl)ccc3[nH]c2n1 ZINC000001366194 452657287 /nfs/dbraw/zinc/65/72/87/452657287.db2.gz OMXCOXWNIVKWAS-UHFFFAOYSA-N 0 0 349.847 3.166 40 0 EGABRN CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C2 ZINC000001448401 452665903 /nfs/dbraw/zinc/66/59/03/452665903.db2.gz UZYILRDLSOMIFM-CXMJFTSVSA-N 0 0 333.472 3.439 40 0 EGABRN Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000001624377 452671346 /nfs/dbraw/zinc/67/13/46/452671346.db2.gz SIKDAOIHNMSSBI-GOSISDBHSA-N 0 0 329.783 3.370 40 0 EGABRN COc1cc2c(cc1OC)C(=O)[C@@H](c1ccc3c(c1)OCO3)CC2 ZINC000001711373 452673861 /nfs/dbraw/zinc/67/38/61/452673861.db2.gz OBTVDFSWWSBVMS-CYBMUJFWSA-N 0 0 326.348 3.345 40 0 EGABRN Nc1nc2c(ncn2[C@H]2CCCO2)c(SCc2ccccc2)n1 ZINC000001684486 452674466 /nfs/dbraw/zinc/67/44/66/452674466.db2.gz IJLIFXBFTCIOIB-GFCCVEGCSA-N 0 0 327.413 3.010 40 0 EGABRN COc1ccc2c(c1)[C@@H](OC)[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C ZINC000001866277 452678097 /nfs/dbraw/zinc/67/80/97/452678097.db2.gz RRTPHPJGTHCVFW-RTBURBONSA-N 0 0 339.391 3.321 40 0 EGABRN COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(C)cc1C ZINC000001993318 452682888 /nfs/dbraw/zinc/68/28/88/452682888.db2.gz ROLNUHFEYQFNHN-UHFFFAOYSA-N 0 0 343.379 3.116 40 0 EGABRN COc1ncc(C)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000173513586 455299103 /nfs/dbraw/zinc/29/91/03/455299103.db2.gz LDYBNIXCIBZGGT-UHFFFAOYSA-N 0 0 336.395 3.453 40 0 EGABRN O=C(CCSc1nnnn1-c1ccccc1)c1ccc(F)cc1 ZINC000003266911 452756326 /nfs/dbraw/zinc/75/63/26/452756326.db2.gz PBKMELOKGQSKEQ-UHFFFAOYSA-N 0 0 328.372 3.167 40 0 EGABRN CCOc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 ZINC000003482968 452772410 /nfs/dbraw/zinc/77/24/10/452772410.db2.gz MQADBJGCBQIKHI-GOSISDBHSA-N 0 0 326.396 3.291 40 0 EGABRN O=C(Cc1ccccc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000190439071 455318065 /nfs/dbraw/zinc/31/80/65/455318065.db2.gz LNYDLQBVUNZNDP-UHFFFAOYSA-N 0 0 335.860 3.442 40 0 EGABRN COC(=O)c1cc(NC(=S)Nc2ccccc2)cc(C(=O)OC)c1 ZINC000005611427 452887640 /nfs/dbraw/zinc/88/76/40/452887640.db2.gz NMEKORPCRSPQHM-UHFFFAOYSA-N 0 0 344.392 3.069 40 0 EGABRN C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000005628823 452889847 /nfs/dbraw/zinc/88/98/47/452889847.db2.gz AQUKPHOGYJTPPQ-JTQLQIEISA-N 0 0 341.392 3.046 40 0 EGABRN Cc1cnc(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc32)cn1 ZINC000005637094 452891202 /nfs/dbraw/zinc/89/12/02/452891202.db2.gz OZLFXUIDXOHURA-CYBMUJFWSA-N 0 0 335.363 3.122 40 0 EGABRN CCC(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000006011033 452916071 /nfs/dbraw/zinc/91/60/71/452916071.db2.gz VORMGBCEQSNZHC-MRVPVSSYSA-N 0 0 340.351 3.369 40 0 EGABRN COc1ccc(/C=C/C(=O)NCc2ccccc2)c(OC)c1OC ZINC000006230251 452926917 /nfs/dbraw/zinc/92/69/17/452926917.db2.gz FLKNDORTZODABP-ZRDIBKRKSA-N 0 0 327.380 3.042 40 0 EGABRN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000006315549 452933406 /nfs/dbraw/zinc/93/34/06/452933406.db2.gz FKLGZFWXQUOUML-UHFFFAOYSA-N 0 0 344.436 3.325 40 0 EGABRN Cc1cc2c(cc1C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C=N2 ZINC000006484851 452946567 /nfs/dbraw/zinc/94/65/67/452946567.db2.gz LBCSZMUNALSOLI-MRXNPFEDSA-N 0 0 341.798 3.410 40 0 EGABRN COc1ccc(OCCSc2nnc3[nH]c4ccccc4n32)cc1 ZINC000006505873 452949104 /nfs/dbraw/zinc/94/91/04/452949104.db2.gz DHTDDTDMSSGGIC-UHFFFAOYSA-N 0 0 340.408 3.390 40 0 EGABRN COCCCNc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000006805402 452991340 /nfs/dbraw/zinc/99/13/40/452991340.db2.gz GKLSVXMXLADISM-UHFFFAOYSA-N 0 0 333.395 3.393 40 0 EGABRN O=C(COCc1cc(-c2cccs2)on1)NCCc1cccs1 ZINC000006876578 453001566 /nfs/dbraw/zinc/00/15/66/453001566.db2.gz OQUFCELQVYDEQA-UHFFFAOYSA-N 0 0 348.449 3.340 40 0 EGABRN O=C(CSc1ccc(F)cc1F)NC(=O)NC1CCCCC1 ZINC000006879386 453001616 /nfs/dbraw/zinc/00/16/16/453001616.db2.gz RRJJDPFOXGVGMV-UHFFFAOYSA-N 0 0 328.384 3.215 40 0 EGABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)OCC)C2=O)cc1 ZINC000006880806 453002236 /nfs/dbraw/zinc/00/22/36/453002236.db2.gz TYKXOUQIFLRVNN-UVTDQMKNSA-N 0 0 349.408 3.075 40 0 EGABRN COc1cccc(/C=C/C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000006886453 453003889 /nfs/dbraw/zinc/00/38/89/453003889.db2.gz STEDJGDHFVFRAU-LVROOXTISA-N 0 0 345.439 3.193 40 0 EGABRN CC(=O)c1ccc(N2CCN(C(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000006981664 453013760 /nfs/dbraw/zinc/01/37/60/453013760.db2.gz WVLVFAWAEQRMQX-QXAKKESOSA-N 0 0 340.467 3.364 40 0 EGABRN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccncc1 ZINC000007064399 453027899 /nfs/dbraw/zinc/02/78/99/453027899.db2.gz RUNVSWCXADQOKT-UHFFFAOYSA-N 0 0 328.422 3.478 40 0 EGABRN C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000007123549 453035421 /nfs/dbraw/zinc/03/54/21/453035421.db2.gz GQLBQTCCLQMAQR-AWEZNQCLSA-N 0 0 342.464 3.478 40 0 EGABRN COC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1 ZINC000007146362 453037589 /nfs/dbraw/zinc/03/75/89/453037589.db2.gz VRLIMTUPIBLGGT-UHFFFAOYSA-N 0 0 333.384 3.484 40 0 EGABRN COc1ccccc1-c1noc(CSc2nnc3ccccn32)n1 ZINC000007214160 453045403 /nfs/dbraw/zinc/04/54/03/453045403.db2.gz DISMJIIVDHDNRW-UHFFFAOYSA-N 0 0 339.380 3.080 40 0 EGABRN COc1ccc(Br)cc1COC(=O)c1cc(C)no1 ZINC000007547378 453085378 /nfs/dbraw/zinc/08/53/78/453085378.db2.gz KQYCQFIFGLQXDG-UHFFFAOYSA-N 0 0 326.146 3.111 40 0 EGABRN CCC1=NC(=S)N[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000007554075 453088356 /nfs/dbraw/zinc/08/83/56/453088356.db2.gz QKXHXTJOWHYBLR-GFCCVEGCSA-N 0 0 344.358 3.061 40 0 EGABRN Cc1ccc(OCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1C ZINC000007804100 453118797 /nfs/dbraw/zinc/11/87/97/453118797.db2.gz WIKBVXGWYJNDPD-QILLFSRXSA-N 0 0 347.455 3.309 40 0 EGABRN CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000007928955 453136135 /nfs/dbraw/zinc/13/61/35/453136135.db2.gz OGHNVXZBVWMDBP-CQSZACIVSA-N 0 0 327.355 3.347 40 0 EGABRN Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000008035240 453152862 /nfs/dbraw/zinc/15/28/62/453152862.db2.gz TVVZAYAKBMXAJU-UHFFFAOYSA-N 0 0 339.363 3.076 40 0 EGABRN CCc1nnc2sc(-c3cccc(NC(=O)C(C)(C)C)c3)nn12 ZINC000008071463 453157403 /nfs/dbraw/zinc/15/74/03/453157403.db2.gz AYBWJXQTXNCBMA-UHFFFAOYSA-N 0 0 329.429 3.400 40 0 EGABRN CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000008091513 453159348 /nfs/dbraw/zinc/15/93/48/453159348.db2.gz SBKFVWFWIZJDCJ-XFFZJAGNSA-N 0 0 347.714 3.031 40 0 EGABRN CCc1cccc(CC)c1NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000008241215 453180059 /nfs/dbraw/zinc/18/00/59/453180059.db2.gz NCFOHHNDGQJSLS-UHFFFAOYSA-N 0 0 335.407 3.160 40 0 EGABRN COc1ccc(CC(=O)NCCSc2ccccc2)cc1OC ZINC000008361033 453197285 /nfs/dbraw/zinc/19/72/85/453197285.db2.gz IBVUJMFFHPFKDB-UHFFFAOYSA-N 0 0 331.437 3.155 40 0 EGABRN CN(C)S(=O)(=O)c1cc(NC(=O)C2CCCCC2)ccc1Cl ZINC000008391333 453200940 /nfs/dbraw/zinc/20/09/40/453200940.db2.gz LUYYUABKIMVZLX-UHFFFAOYSA-N 0 0 344.864 3.109 40 0 EGABRN CCC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000008746736 453233251 /nfs/dbraw/zinc/23/32/51/453233251.db2.gz ZEMBYWRERGHXIQ-CQSZACIVSA-N 0 0 346.452 3.406 40 0 EGABRN CC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c(O)c1 ZINC000009064229 453242089 /nfs/dbraw/zinc/24/20/89/453242089.db2.gz JEPKAZCOUQOLDE-UHFFFAOYSA-N 0 0 341.392 3.342 40 0 EGABRN CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccc(C)cc2)c1C ZINC000010112309 453275122 /nfs/dbraw/zinc/27/51/22/453275122.db2.gz CHDRFYXHLDFFGW-UHFFFAOYSA-N 0 0 347.436 3.422 40 0 EGABRN CCOc1ccccc1CCCNC(=O)c1c(OC)cccc1OC ZINC000010110877 453275567 /nfs/dbraw/zinc/27/55/67/453275567.db2.gz BVHDAJCUPRCBHG-UHFFFAOYSA-N 0 0 343.423 3.465 40 0 EGABRN Clc1ccc(-c2nc(N3CCOCC3)ncc2-c2ncc[nH]2)cc1 ZINC000012143408 453347353 /nfs/dbraw/zinc/34/73/53/453347353.db2.gz PFQYCWNUTHGLBQ-UHFFFAOYSA-N 0 0 341.802 3.024 40 0 EGABRN Cn1ncc2c1CCc1sc(NC(=O)c3ccccc3F)nc1-2 ZINC000012327155 453356433 /nfs/dbraw/zinc/35/64/33/453356433.db2.gz TYFBLWOJRFRPPT-UHFFFAOYSA-N 0 0 328.372 3.034 40 0 EGABRN Cc1occc1-c1nc(N2CCSCC2)ncc1-c1cnccn1 ZINC000012739259 453396798 /nfs/dbraw/zinc/39/67/98/453396798.db2.gz PTJSCRLDULBKBU-UHFFFAOYSA-N 0 0 339.424 3.055 40 0 EGABRN Cc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000012757503 453399299 /nfs/dbraw/zinc/39/92/99/453399299.db2.gz HZPZKRHSVPRYHP-UHFFFAOYSA-N 0 0 329.343 3.492 40 0 EGABRN COc1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1 ZINC000012769140 453400567 /nfs/dbraw/zinc/40/05/67/453400567.db2.gz JLKFDRJYOIWTMN-UHFFFAOYSA-N 0 0 337.363 3.095 40 0 EGABRN COc1ccc(COC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000013016255 453440377 /nfs/dbraw/zinc/44/03/77/453440377.db2.gz JFDKITQDDLXXLJ-UHFFFAOYSA-N 0 0 347.798 3.212 40 0 EGABRN O=C(c1oc2ccccc2c1COc1ccccc1)N1CCOCC1 ZINC000013075814 453442116 /nfs/dbraw/zinc/44/21/16/453442116.db2.gz RWNHEOLOEPHTLF-UHFFFAOYSA-N 0 0 337.375 3.484 40 0 EGABRN O=C(CSc1ccccc1Cl)N1CCN(c2ccccn2)CC1 ZINC000013074107 453442177 /nfs/dbraw/zinc/44/21/77/453442177.db2.gz CUAJWRVBNJHNKE-UHFFFAOYSA-N 0 0 347.871 3.176 40 0 EGABRN COc1ccc(O[C@@H](C)C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000013048910 453443630 /nfs/dbraw/zinc/44/36/30/453443630.db2.gz CGDYDHBAJXJRPL-INIZCTEOSA-N 0 0 342.439 3.105 40 0 EGABRN COc1ccc(CCCNS(=O)(=O)Cc2ccccc2C)cc1 ZINC000013670256 453480343 /nfs/dbraw/zinc/48/03/43/453480343.db2.gz MKFFSBGMHXXXHE-UHFFFAOYSA-N 0 0 333.453 3.056 40 0 EGABRN COC(=O)c1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000013670025 453480503 /nfs/dbraw/zinc/48/05/03/453480503.db2.gz ZAOUAVHXHMDQBV-UHFFFAOYSA-N 0 0 333.409 3.199 40 0 EGABRN C[C@H](Oc1ccccc1-c1ccccc1)C(=O)N[C@@H]1CCCOC1 ZINC000013995933 453495586 /nfs/dbraw/zinc/49/55/86/453495586.db2.gz IRBKVNQCDFSGGT-DOTOQJQBSA-N 0 0 325.408 3.416 40 0 EGABRN C[S@](=O)Cc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000014047263 453500083 /nfs/dbraw/zinc/50/00/83/453500083.db2.gz IAHVQJPSUJBGHI-XMMPIXPASA-N 0 0 340.448 3.019 40 0 EGABRN C[C@H]1CN(C(=O)COc2ccc(Oc3ccccc3)cc2)CCO1 ZINC000014189582 453517374 /nfs/dbraw/zinc/51/73/74/453517374.db2.gz BIFHZWPXCLDSHI-HNNXBMFYSA-N 0 0 327.380 3.105 40 0 EGABRN O=c1ccc(C(F)(F)F)cn1Cc1nc(-c2ccsc2)no1 ZINC000014197466 453518118 /nfs/dbraw/zinc/51/81/18/453518118.db2.gz GFFJYDGYYLEZBX-UHFFFAOYSA-N 0 0 327.287 3.027 40 0 EGABRN CC(C)(C)c1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000014200126 453518646 /nfs/dbraw/zinc/51/86/46/453518646.db2.gz MSZJAGLUCADHOZ-HZPDHXFCSA-N 0 0 342.439 3.098 40 0 EGABRN O=S(=O)(NCc1ccccc1OC(F)F)c1ccc(F)cc1F ZINC000014208384 453519542 /nfs/dbraw/zinc/51/95/42/453519542.db2.gz FSDWLCCCLLHVPE-UHFFFAOYSA-N 0 0 349.305 3.045 40 0 EGABRN COc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)c(OC)c1 ZINC000014207357 453520118 /nfs/dbraw/zinc/52/01/18/453520118.db2.gz NOUKVEDKNUZKIP-UHFFFAOYSA-N 0 0 337.379 3.201 40 0 EGABRN CC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccc(C)cc3o2)c1 ZINC000014257530 453528262 /nfs/dbraw/zinc/52/82/62/453528262.db2.gz AYXTXLZVODADIX-UHFFFAOYSA-N 0 0 341.392 3.342 40 0 EGABRN O=C(CN1C(=O)COc2ccccc21)Nc1cccc2ccccc21 ZINC000014428952 453536092 /nfs/dbraw/zinc/53/60/92/453536092.db2.gz ROHCZKLPMWIRBQ-UHFFFAOYSA-N 0 0 332.359 3.204 40 0 EGABRN COc1ccc(CCNC(=O)CNc2ccc(Cl)cc2C)cc1 ZINC000015290261 453565370 /nfs/dbraw/zinc/56/53/70/453565370.db2.gz SMASCHYJYGSTBD-UHFFFAOYSA-N 0 0 332.831 3.428 40 0 EGABRN C[C@@H](NC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000015389285 453572118 /nfs/dbraw/zinc/57/21/18/453572118.db2.gz MIRCHUUEDRCVAO-GFCCVEGCSA-N 0 0 348.805 3.476 40 0 EGABRN CCC(=O)c1ccc(OCC(=O)Oc2ccc(NC(C)=O)cc2)cc1 ZINC000015542683 453575739 /nfs/dbraw/zinc/57/57/39/453575739.db2.gz ILVFIXDBESKADM-UHFFFAOYSA-N 0 0 341.363 3.222 40 0 EGABRN CCn1cc(C(=O)Nc2ccc(C)c(F)c2)c(=O)c2ccc(C)nc21 ZINC000015615836 453580168 /nfs/dbraw/zinc/58/01/68/453580168.db2.gz IHLGXMGXMHFLIW-UHFFFAOYSA-N 0 0 339.370 3.425 40 0 EGABRN CC(C)(C)C(=O)N1CC[C@H]2CC(=O)N(Cc3ccccc3)CC[C@H]2C1 ZINC000015672976 453582511 /nfs/dbraw/zinc/58/25/11/453582511.db2.gz NHDXXHUXUDYACX-ROUUACIJSA-N 0 0 342.483 3.320 40 0 biogenic,in-vitro EGABRN Cc1ccccc1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000015936030 453589643 /nfs/dbraw/zinc/58/96/43/453589643.db2.gz LSIJYHZJZJYRFK-UHFFFAOYSA-N 0 0 343.471 3.232 40 0 EGABRN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1 ZINC000016089627 453593259 /nfs/dbraw/zinc/59/32/59/453593259.db2.gz UFLZYBMACWFDJY-UHFFFAOYSA-N 0 0 325.773 3.066 40 0 EGABRN Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(=S)n1-n1cccc1 ZINC000016777098 453621154 /nfs/dbraw/zinc/62/11/54/453621154.db2.gz VJBBKLPWPLJUML-UHFFFAOYSA-N 0 0 347.831 3.128 40 0 EGABRN NC(=O)c1ccc(COC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000016746374 453621746 /nfs/dbraw/zinc/62/17/46/453621746.db2.gz MSEDFKSLOBILMY-UHFFFAOYSA-N 0 0 338.190 3.378 40 0 EGABRN Cc1ccc2c(COC(=O)c3ccc(F)cc3N)cc(=O)oc2c1 ZINC000018749567 453652431 /nfs/dbraw/zinc/65/24/31/453652431.db2.gz QPQOBNRBZBQJTJ-UHFFFAOYSA-N 0 0 327.311 3.180 40 0 EGABRN C[C@@H]1CN(c2ncc(-c3ccncc3)c([C@H]3CCCO3)n2)C[C@@H](C)O1 ZINC000019497621 453656199 /nfs/dbraw/zinc/65/61/99/453656199.db2.gz IJOXWZCGACMPQD-CKEIUWERSA-N 0 0 340.427 3.004 40 0 EGABRN c1cc(-c2ccc([C@H]3CN(CCc4ccccc4)CCO3)nc2)n[nH]1 ZINC000019692561 453658628 /nfs/dbraw/zinc/65/86/28/453658628.db2.gz UQFSRYHOPUZRRV-HXUWFJFHSA-N 0 0 334.423 3.088 40 0 EGABRN Nc1cc(NC(=O)c2ccccc2Cl)ccc1N1CCOCC1 ZINC000020154046 453662624 /nfs/dbraw/zinc/66/26/24/453662624.db2.gz KPSWCQHETMIGRL-UHFFFAOYSA-N 0 0 331.803 3.011 40 0 EGABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)c1 ZINC000020373110 453664094 /nfs/dbraw/zinc/66/40/94/453664094.db2.gz CAYIEXYIKARQKY-QGZVFWFLSA-N 0 0 334.419 3.475 40 0 EGABRN CCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(Cl)c1)C3 ZINC000020796165 453668973 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CO[C@@H]1CCN(C(=O)COc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000096110171 454286216 /nfs/dbraw/zinc/28/62/16/454286216.db2.gz OZVJLWJAIGCSGE-AZUAARDMSA-N 0 0 339.435 3.172 40 0 EGABRN CC(=CC(=O)Oc1ccc(C[C@H]2COC(=O)N2)cc1)c1ccccc1 ZINC000096130203 454289293 /nfs/dbraw/zinc/28/92/93/454289293.db2.gz JMYSJSLKOUOZGN-WKOYGUFESA-N 0 0 337.375 3.346 40 0 EGABRN CCc1cccc2c(C3CCN(C(=O)[C@@H]4CCOC4)CC3)c[nH]c21 ZINC000096134080 454291114 /nfs/dbraw/zinc/29/11/14/454291114.db2.gz BFHFDWPHZNUYPC-MRXNPFEDSA-N 0 0 326.440 3.473 40 0 EGABRN CC(C)n1c(C(=O)N2CCN(C)CC2)cc2c1c1ccccc1n2C ZINC000096146287 454292757 /nfs/dbraw/zinc/29/27/57/454292757.db2.gz UMEWUVCZGWGROC-UHFFFAOYSA-N 0 0 338.455 3.102 40 0 EGABRN Cc1nc(CCC(=O)[O-])cc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072363418 454294799 /nfs/dbraw/zinc/29/47/99/454294799.db2.gz NFWSMKJVENHHGN-HNNXBMFYSA-N 0 0 331.460 3.314 40 0 EGABRN Cc1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 ZINC000096181898 454298157 /nfs/dbraw/zinc/29/81/57/454298157.db2.gz GDGKLCMTYOBCND-QAPCUYQASA-N 0 0 341.386 3.077 40 0 EGABRN Cc1ccc([C@@H]2[C@@H](C(=O)N3CCc4ccccc4C3)CC(=O)N2C)cc1 ZINC000096181355 454298322 /nfs/dbraw/zinc/29/83/22/454298322.db2.gz JYPLFFBNFGSANE-PZJWPPBQSA-N 0 0 348.446 3.099 40 0 EGABRN O=C(Cc1ccsc1)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000131930329 454298774 /nfs/dbraw/zinc/29/87/74/454298774.db2.gz LIURVDGNYVQFCO-GFCCVEGCSA-N 0 0 330.236 3.447 40 0 EGABRN CN(Cc1cccnc1)Cc1cncc2c1CCN(Cc1ccoc1)C2 ZINC000096189524 454300896 /nfs/dbraw/zinc/30/08/96/454300896.db2.gz NMQYUFQRMNMEQU-UHFFFAOYSA-N 0 0 348.450 3.260 40 0 EGABRN COc1ccc(OC)c(NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)c1 ZINC000096192556 454300923 /nfs/dbraw/zinc/30/09/23/454300923.db2.gz VSVBCBLDZCETEB-LJQANCHMSA-N 0 0 340.379 3.226 40 0 EGABRN CCOC[C@@H]1CN(Cc2cn(C)c3ccccc23)Cc2cn(C)nc21 ZINC000096198005 454302611 /nfs/dbraw/zinc/30/26/11/454302611.db2.gz UCRQSISMKAAXFD-KRWDZBQOSA-N 0 0 338.455 3.048 40 0 EGABRN CCOC[C@H]1CN(Cc2cccs2)Cc2cn(CC3CC3)nc21 ZINC000096198156 454302763 /nfs/dbraw/zinc/30/27/63/454302763.db2.gz XBODRHZCYUVYLS-MRXNPFEDSA-N 0 0 331.485 3.491 40 0 EGABRN O=C(Nc1ccccc1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC000096239236 454310191 /nfs/dbraw/zinc/31/01/91/454310191.db2.gz YELHLASTPDQEKZ-GOSISDBHSA-N 0 0 341.436 3.409 40 0 EGABRN CCN(C[C@H]1CCN(C(=O)Nc2ccncc2C)C1)CC(F)(F)F ZINC000120511706 454313107 /nfs/dbraw/zinc/31/31/07/454313107.db2.gz WKLFYQKZAIKRSA-CYBMUJFWSA-N 0 0 344.381 3.128 40 0 EGABRN CN(C(=O)c1nc2c(s1)CCCN2C(=O)C1CC1)c1ccccc1 ZINC000096264692 454314177 /nfs/dbraw/zinc/31/41/77/454314177.db2.gz YFTFDKOVHPHFAG-UHFFFAOYSA-N 0 0 341.436 3.109 40 0 EGABRN O=C(NCC1CC1)c1cc2c(s1)CCN2C(=O)c1ccccc1 ZINC000096264535 454314936 /nfs/dbraw/zinc/31/49/36/454314936.db2.gz PLAFUFALBCKMSD-UHFFFAOYSA-N 0 0 326.421 3.091 40 0 EGABRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)CSC[C@@H]1CCCO1 ZINC000096403619 454322219 /nfs/dbraw/zinc/32/22/19/454322219.db2.gz PZEAVSQTZZNYTH-KGLIPLIRSA-N 0 0 347.484 3.146 40 0 EGABRN COC(=O)c1ccc(Cl)c(NC(=O)COc2cccc(OC)c2)c1 ZINC000060964692 454322463 /nfs/dbraw/zinc/32/24/63/454322463.db2.gz GNAOOWTULMPSOZ-UHFFFAOYSA-N 0 0 349.770 3.153 40 0 EGABRN CCC[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1cccc(C(F)(F)F)c1 ZINC000096403251 454322541 /nfs/dbraw/zinc/32/25/41/454322541.db2.gz XGUMLCJGZVCXFZ-GXTWGEPZSA-N 0 0 342.361 3.189 40 0 EGABRN COCCc1ccc(Oc2ccc(N[C@@H]3CCN(C)C3=O)cc2)cc1 ZINC000096407734 454325710 /nfs/dbraw/zinc/32/57/10/454325710.db2.gz YNASGJLCCUHIDO-LJQANCHMSA-N 0 0 340.423 3.310 40 0 EGABRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NC[C@@H]2CCCO2)c1 ZINC000096407968 454326714 /nfs/dbraw/zinc/32/67/14/454326714.db2.gz NFRRQOUDAPBECZ-NPMXOYFQSA-N 0 0 338.473 3.034 40 0 EGABRN Cc1nc(C)c(CCNC(=O)NC[C@H]2CCO[C@H]2C(C)(C)C)s1 ZINC000096408903 454327172 /nfs/dbraw/zinc/32/71/72/454327172.db2.gz HLLKOLDFZDUHAM-UKRRQHHQSA-N 0 0 339.505 3.053 40 0 EGABRN Cc1nc(CC(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)cs1 ZINC000096409342 454327291 /nfs/dbraw/zinc/32/72/91/454327291.db2.gz ILZWFKGREPSUNR-HNNXBMFYSA-N 0 0 347.459 3.227 40 0 EGABRN CC(C)(C)c1ccc(NC(=O)N2CCOC3(CCOCC3)C2)cc1 ZINC000090608876 454327738 /nfs/dbraw/zinc/32/77/38/454327738.db2.gz VBQFCTBQVLGMIY-UHFFFAOYSA-N 0 0 332.444 3.397 40 0 EGABRN COC(=O)[C@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000096410416 454327975 /nfs/dbraw/zinc/32/79/75/454327975.db2.gz KKUULHGFTZAHRQ-BFUOFWGJSA-N 0 0 338.407 3.136 40 0 EGABRN CS(=O)(=O)c1ccccc1SCc1nc(-c2ccoc2)no1 ZINC000096410912 454328294 /nfs/dbraw/zinc/32/82/94/454328294.db2.gz FFZUYVYBYASXQR-UHFFFAOYSA-N 0 0 336.394 3.025 40 0 EGABRN CCn1nc(C)cc1C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000096410166 454328327 /nfs/dbraw/zinc/32/83/27/454328327.db2.gz XENAPCQSCLYCPE-KRWDZBQOSA-N 0 0 326.444 3.255 40 0 EGABRN CN(Cc1cnccn1)C(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000096410642 454328573 /nfs/dbraw/zinc/32/85/73/454328573.db2.gz PUEKDJVCFUMZCI-UHFFFAOYSA-N 0 0 346.460 3.115 40 0 EGABRN O=c1cc(C(F)(F)F)nc(SCc2nc(-c3ccoc3)no2)[nH]1 ZINC000096411937 454329221 /nfs/dbraw/zinc/32/92/21/454329221.db2.gz KZLNLMKQZGGTCC-UHFFFAOYSA-N 0 0 344.274 3.136 40 0 EGABRN O=C(Nc1cccc2[nH]ccc21)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000096413493 454330508 /nfs/dbraw/zinc/33/05/08/454330508.db2.gz RSYAKLKZRJKLIB-KRWDZBQOSA-N 0 0 349.390 3.137 40 0 EGABRN CCn1nc(C)cc1C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000096413163 454330608 /nfs/dbraw/zinc/33/06/08/454330608.db2.gz ROBGBKMKJCVCHK-UHFFFAOYSA-N 0 0 343.427 3.269 40 0 EGABRN O=C(COCc1ccccc1)NC1CCN(c2cccc(F)c2)CC1 ZINC000096413885 454330713 /nfs/dbraw/zinc/33/07/13/454330713.db2.gz QDMVUNDDPYSHHL-UHFFFAOYSA-N 0 0 342.414 3.128 40 0 EGABRN Cc1occc1CNC(=O)NC1CCN(c2cccc(F)c2)CC1 ZINC000096415327 454331067 /nfs/dbraw/zinc/33/10/67/454331067.db2.gz CFNDISLNULDQIA-UHFFFAOYSA-N 0 0 331.391 3.195 40 0 EGABRN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)Sc2nncn2C)o1 ZINC000096414203 454331245 /nfs/dbraw/zinc/33/12/45/454331245.db2.gz AXHLOWZJSMFTCH-KGLIPLIRSA-N 0 0 348.472 3.341 40 0 EGABRN CC(C)c1nc(CNC(=O)NC[C@@](C)(O)c2cccs2)cs1 ZINC000096417732 454333285 /nfs/dbraw/zinc/33/32/85/454333285.db2.gz CCNRNFYALBJPIY-OAHLLOKOSA-N 0 0 339.486 3.035 40 0 EGABRN CO[C@H](C)c1cccc(NC(=O)NC[C@@](C)(O)c2cccs2)c1 ZINC000096418050 454334758 /nfs/dbraw/zinc/33/47/58/454334758.db2.gz CUYNSDUXDZOQBI-SJKOYZFVSA-N 0 0 334.441 3.485 40 0 EGABRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1oc3ccccc3c1C)CC2 ZINC000096420952 454335711 /nfs/dbraw/zinc/33/57/11/454335711.db2.gz VSJGCXLWOVACGZ-DLBZAZTESA-N 0 0 343.423 3.133 40 0 EGABRN CCOc1ccc(CCC2CCN(C(=O)c3nccn3C)CC2)cc1 ZINC000096421324 454336839 /nfs/dbraw/zinc/33/68/39/454336839.db2.gz LBWVKDBTQBISRI-UHFFFAOYSA-N 0 0 341.455 3.304 40 0 EGABRN Cc1ccc(N2CCC[C@H](Sc3nncn3C3CC3)C2=O)cc1 ZINC000096424841 454338610 /nfs/dbraw/zinc/33/86/10/454338610.db2.gz APRVKDUPASKPKB-HNNXBMFYSA-N 0 0 328.441 3.209 40 0 EGABRN Cc1nnc(SCCOC[C@H]2CCCO2)n1C1CCCCC1 ZINC000096429923 454341087 /nfs/dbraw/zinc/34/10/87/454341087.db2.gz WIGLAKIZBBWVNM-OAHLLOKOSA-N 0 0 325.478 3.379 40 0 EGABRN C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000096430920 454342357 /nfs/dbraw/zinc/34/23/57/454342357.db2.gz GEKCCVNKQYOETG-HNNXBMFYSA-N 0 0 346.446 3.008 40 0 EGABRN C[C@H](C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)n1cncn1 ZINC000096431558 454342565 /nfs/dbraw/zinc/34/25/65/454342565.db2.gz SVQSHCFGXUNDKD-LLVKDONJSA-N 0 0 343.774 3.319 40 0 EGABRN CCC(CC)(CNC(=O)c1ccc2ccccc2c1)S(C)(=O)=O ZINC000096432866 454343388 /nfs/dbraw/zinc/34/33/88/454343388.db2.gz OQWUGTYZAWIQMO-UHFFFAOYSA-N 0 0 333.453 3.173 40 0 EGABRN C[S@](=O)CCNC(=O)Nc1cccc(Cl)c1SC(F)F ZINC000096434458 454345350 /nfs/dbraw/zinc/34/53/50/454345350.db2.gz IRIAPUFZDMJWJV-HXUWFJFHSA-N 0 0 342.820 3.155 40 0 EGABRN O=C(Nc1cccc(Cl)c1SCC(F)F)N1CC[C@H](O)C1 ZINC000096435072 454346466 /nfs/dbraw/zinc/34/64/66/454346466.db2.gz OLOGZOQYRZUWSD-QMMMGPOBSA-N 0 0 336.791 3.296 40 0 EGABRN Cc1ccnc(-c2ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc2)n1 ZINC000096434932 454346800 /nfs/dbraw/zinc/34/68/00/454346800.db2.gz NGBKOGNVRSQSAZ-CQSZACIVSA-N 0 0 342.443 3.371 40 0 EGABRN Cc1ncc(CNC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)s1 ZINC000096439565 454348681 /nfs/dbraw/zinc/34/86/81/454348681.db2.gz IHXQKGZTBQKVDY-GFCCVEGCSA-N 0 0 341.440 3.198 40 0 EGABRN COc1ccccc1[C@H]1CCN(C(=O)c2cc(-c3ccccn3)no2)C1 ZINC000096444766 454351934 /nfs/dbraw/zinc/35/19/34/454351934.db2.gz ITWUTAIRAAEAPF-AWEZNQCLSA-N 0 0 349.390 3.375 40 0 EGABRN Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 ZINC000061722124 454353522 /nfs/dbraw/zinc/35/35/22/454353522.db2.gz KDRMSNARASLCLB-QLFBSQMISA-N 0 0 338.455 3.342 40 0 EGABRN CC(C)Cn1cc(NC(=O)N[C@H]2CCO[C@H]2c2ccccc2)cn1 ZINC000096447195 454354197 /nfs/dbraw/zinc/35/41/97/454354197.db2.gz MSLLNFLFFZHKCD-IRXDYDNUSA-N 0 0 328.416 3.191 40 0 EGABRN O=C(Cc1noc(C2(c3ccccc3)CCC2)n1)NCc1ccccc1 ZINC000096449303 454355543 /nfs/dbraw/zinc/35/55/43/454355543.db2.gz JBTRWUDHZQOJGE-UHFFFAOYSA-N 0 0 347.418 3.399 40 0 EGABRN COc1c(F)cc(NCC(=O)Nc2ccc(Cl)cn2)cc1F ZINC000096452708 454356522 /nfs/dbraw/zinc/35/65/22/454356522.db2.gz ZLGSNMDLDAKANM-UHFFFAOYSA-N 0 0 327.718 3.072 40 0 EGABRN CCn1cc(NC(=O)N2CC(Cc3ccccc3Cl)C2)ccc1=O ZINC000096454104 454357670 /nfs/dbraw/zinc/35/76/70/454357670.db2.gz DEZAEPUJXWLRPK-UHFFFAOYSA-N 0 0 345.830 3.228 40 0 EGABRN Cc1cc(C)n(C[C@H](C)NC(=O)N[C@H](C)c2csc(C3CC3)n2)n1 ZINC000079036214 454359130 /nfs/dbraw/zinc/35/91/30/454359130.db2.gz AJBRGUZBFKUXSA-WCQYABFASA-N 0 0 347.488 3.283 40 0 EGABRN CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2csc(N(C)C)n2)C1 ZINC000096465867 454360490 /nfs/dbraw/zinc/36/04/90/454360490.db2.gz FTHZSTGSRZELGS-CHWSQXEVSA-N 0 0 342.534 3.025 40 0 EGABRN Fc1ccccc1-n1nc(-c2nc([C@@H]3CCOC3)no2)c2c1CCC2 ZINC000096462761 454360211 /nfs/dbraw/zinc/36/02/11/454360211.db2.gz BSBQBTTYTUGRMX-LLVKDONJSA-N 0 0 340.358 3.054 40 0 EGABRN CC(C)(C)c1nnc(CNC(=O)N2CCc3ccccc3C2)s1 ZINC000096467260 454360604 /nfs/dbraw/zinc/36/06/04/454360604.db2.gz AHUAZXYFPKRTTJ-UHFFFAOYSA-N 0 0 330.457 3.104 40 0 EGABRN COc1ccsc1S(=O)(=O)N(C)[C@H](C)Cc1cccs1 ZINC000096472785 454361945 /nfs/dbraw/zinc/36/19/45/454361945.db2.gz ITMCJUKOJKMFBG-SNVBAGLBSA-N 0 0 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Cc1cccc2c3c([nH]c21)CCN(C(=O)c1ccn(C(F)F)n1)C3 ZINC000019236581 212006923 /nfs/dbraw/zinc/00/69/23/212006923.db2.gz FXKJXKQKDDEVGG-UHFFFAOYSA-N 0 0 330.338 3.266 40 0 EGABRN C[C@@H]1CCC[C@H](CC(=O)N2CCC[C@H](c3n[nH]c(=S)n3C)C2)C1 ZINC000078621912 217089775 /nfs/dbraw/zinc/08/97/75/217089775.db2.gz LZPAPRMMONGLSB-RDBSUJKOSA-N 0 0 336.505 3.400 40 0 EGABRN CC(C)(C)OC(=O)NC1(c2noc(CC[C@H]3CCCO3)n2)CCC1 ZINC000078775021 217118465 /nfs/dbraw/zinc/11/84/65/217118465.db2.gz UAMZZHHPUOONBC-GFCCVEGCSA-N 0 0 337.420 3.085 40 0 EGABRN CCc1c(C(=O)NCCc2sc(C)nc2C)[nH]c(C)c1C(C)=O ZINC000078713276 217107018 /nfs/dbraw/zinc/10/70/18/217107018.db2.gz QJPMYHBTVKPSBK-UHFFFAOYSA-N 0 0 333.457 3.134 40 0 EGABRN CC(=O)N1CCCC[C@@H]1CC(=O)NCCOc1ccccc1C(C)C ZINC000078881510 217137715 /nfs/dbraw/zinc/13/77/15/217137715.db2.gz AYKVGOIWLWTKHR-QGZVFWFLSA-N 0 0 346.471 3.096 40 0 EGABRN CCC(=O)Nc1ccc([C@H](C)NC(=O)N2C[C@@H](CC)O[C@@H](C)C2)cc1 ZINC000078925012 217148392 /nfs/dbraw/zinc/14/83/92/217148392.db2.gz 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C[C@@H]1CCO[C@@H]1C(=O)N[C@@H](c1cc2ccccc2o1)c1ccncc1 ZINC000110690232 220056690 /nfs/dbraw/zinc/05/66/90/220056690.db2.gz JEPZLTSFXRYABF-ZNOIYHFQSA-N 0 0 336.391 3.458 40 0 EGABRN Cc1ccc(CCCC(=O)N2CCN(C(=O)C3CCCC3)CC2)s1 ZINC000079508590 217237195 /nfs/dbraw/zinc/23/71/95/217237195.db2.gz MDLDEGFTCQFQJC-UHFFFAOYSA-N 0 0 348.512 3.240 40 0 EGABRN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1Cl ZINC000015836489 211859230 /nfs/dbraw/zinc/85/92/30/211859230.db2.gz HHVFCQZVCLPNJW-ZDUSSCGKSA-N 0 0 341.816 3.467 40 0 EGABRN COc1ccsc1C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000080005667 217270152 /nfs/dbraw/zinc/27/01/52/217270152.db2.gz CUXUNQWKFPXZEM-XFNZEKPQSA-N 0 0 337.466 3.327 40 0 EGABRN O=C(NC1CC(c2ccccc2)C1)c1ccccc1Cn1cncn1 ZINC000079997999 217270296 /nfs/dbraw/zinc/27/02/96/217270296.db2.gz OSQILNCGHFZQOP-UHFFFAOYSA-N 0 0 332.407 3.002 40 0 EGABRN COc1cc(C[C@H]2COC[C@H]2Cc2ccc(O)c(OC)c2)ccc1O ZINC000015052354 211791751 /nfs/dbraw/zinc/79/17/51/211791751.db2.gz ROGUIJKVZZROIQ-IYBDPMFKSA-N 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/nfs/dbraw/zinc/31/74/62/211317462.db2.gz YMUYWYUTVLURJW-UHFFFAOYSA-N 0 0 343.452 3.406 40 0 EGABRN CC(C)(C)NC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 ZINC000012219868 211322565 /nfs/dbraw/zinc/32/25/65/211322565.db2.gz MKFYIHMNBATGPI-UHFFFAOYSA-N 0 0 345.468 3.175 40 0 EGABRN O=C(NCc1noc(-c2ccccc2)n1)C1(c2ccccc2F)CC1 ZINC000012202908 211319648 /nfs/dbraw/zinc/31/96/48/211319648.db2.gz JAYZHZOKJJPMHW-UHFFFAOYSA-N 0 0 337.354 3.224 40 0 EGABRN CC[C@@H](C(=O)N[C@@H](C)c1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000012114756 211294678 /nfs/dbraw/zinc/29/46/78/211294678.db2.gz QYBRRMPQWYHKNF-XJKSGUPXSA-N 0 0 335.411 3.238 40 0 EGABRN COc1ccc(NC(C)=O)cc1NCc1nc(-c2ccsc2)no1 ZINC000011620631 211226492 /nfs/dbraw/zinc/22/64/92/211226492.db2.gz XKUFRTMSAOCWEA-UHFFFAOYSA-N 0 0 344.396 3.377 40 0 EGABRN CC(C)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000010369128 211168914 /nfs/dbraw/zinc/16/89/14/211168914.db2.gz NKGGTJIMVOJXNH-UHFFFAOYSA-N 0 0 332.425 3.434 40 0 EGABRN COc1cccc([C@@H]2CCCN2CC(=O)NCc2cccs2)c1 ZINC000009902931 211132190 /nfs/dbraw/zinc/13/21/90/211132190.db2.gz TYHWQAMFTDMYAS-KRWDZBQOSA-N 0 0 330.453 3.210 40 0 EGABRN O=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000009514871 211094938 /nfs/dbraw/zinc/09/49/38/211094938.db2.gz PHBPAHJCPQEELD-UHFFFAOYSA-N 0 0 343.395 3.303 40 0 EGABRN COc1cc(S(=O)(=O)Oc2cccc(C)c2C)ccc1NC(C)=O ZINC000009547714 211101560 /nfs/dbraw/zinc/10/15/60/211101560.db2.gz ADUQCAGONFQHLW-UHFFFAOYSA-N 0 0 349.408 3.038 40 0 EGABRN CCc1ccc(/C=c2\sc3nnc(-c4cccc(C)c4)n3c2=O)cc1 ZINC000009189343 211050295 /nfs/dbraw/zinc/05/02/95/211050295.db2.gz ZXCKEWBOKDDKLB-ATVHPVEESA-N 0 0 347.443 3.237 40 0 EGABRN COc1ccc(OC)c(NC(=O)c2cccc(N3CCCC3=O)c2)c1 ZINC000008943492 211021882 /nfs/dbraw/zinc/02/18/82/211021882.db2.gz SMFLZCNHYPGEOZ-UHFFFAOYSA-N 0 0 340.379 3.083 40 0 EGABRN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)C3=COCCC3)n2)C1 ZINC000095393239 218325030 /nfs/dbraw/zinc/32/50/30/218325030.db2.gz ZKYXDXZZKKBUTQ-BETUJISGSA-N 0 0 335.473 3.254 40 0 EGABRN Cc1cnc(CNc2ccc(C(=O)NCc3ccco3)cc2C)o1 ZINC000095418375 218357555 /nfs/dbraw/zinc/35/75/55/218357555.db2.gz WBEDXJQZBMJBEN-UHFFFAOYSA-N 0 0 325.368 3.427 40 0 EGABRN Cc1ccc(-c2cnc(CNC(=O)N(C)Cc3cccn3C)o2)cc1 ZINC000095415683 218354225 /nfs/dbraw/zinc/35/42/25/218354225.db2.gz DKBBGBAXNCMYMW-UHFFFAOYSA-N 0 0 338.411 3.330 40 0 EGABRN Cc1ccc(C(=O)CSc2nnnn2Cc2cccs2)cc1C ZINC000008541847 210963138 /nfs/dbraw/zinc/96/31/38/210963138.db2.gz POZUBFSDLRXOLI-UHFFFAOYSA-N 0 0 344.465 3.375 40 0 EGABRN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000095422417 218365132 /nfs/dbraw/zinc/36/51/32/218365132.db2.gz CSBNZNDBMCHDNB-UWVGGRQHSA-N 0 0 340.420 3.246 40 0 EGABRN Cc1cnccc1CCNC(=O)Nc1ccnn1C1CCCCC1 ZINC000095437897 218381342 /nfs/dbraw/zinc/38/13/42/218381342.db2.gz PVSHSPUMMATWMP-UHFFFAOYSA-N 0 0 327.432 3.456 40 0 EGABRN CCN(Cc1ccc(Br)s1)C(=O)c1ccnnc1C ZINC000095435234 218377435 /nfs/dbraw/zinc/37/74/35/218377435.db2.gz YENABCTWIVMNEQ-UHFFFAOYSA-N 0 0 340.246 3.271 40 0 EGABRN 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BRRLHKNJJPMSSK-SNVBAGLBSA-N 0 0 344.205 3.113 40 0 EGABRN Cc1cc(NC(=O)N[C@H](CCO)c2cccs2)n(C(C)(C)C)n1 ZINC000077512107 454115867 /nfs/dbraw/zinc/11/58/67/454115867.db2.gz RHLPMPWXLVMRRB-GFCCVEGCSA-N 0 0 336.461 3.253 40 0 EGABRN Cc1cccc(OCCN(C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000057281407 454117567 /nfs/dbraw/zinc/11/75/67/454117567.db2.gz JOBGOMAVNAHMNA-HNNXBMFYSA-N 0 0 337.423 3.303 40 0 EGABRN Cc1nc(CNC(=O)CCn2ncc3c2cccc3Cl)cs1 ZINC000057279959 454117593 /nfs/dbraw/zinc/11/75/93/454117593.db2.gz QBQQITHOVBSONP-UHFFFAOYSA-N 0 0 334.832 3.161 40 0 EGABRN CN1C(=O)CC[C@H](C(=O)Nc2ccccc2)[C@H]1c1ccccc1F ZINC000057354988 454121497 /nfs/dbraw/zinc/12/14/97/454121497.db2.gz CEFKRIKRVKEGPI-MAUKXSAKSA-N 0 0 326.371 3.374 40 0 EGABRN CN(Cc1cccs1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000057355396 454121550 /nfs/dbraw/zinc/12/15/50/454121550.db2.gz ULQHYKIIWXDKRJ-AEFFLSMTSA-N 0 0 342.464 3.316 40 0 EGABRN CSc1ccc(CNC(=O)NC[C@@](C)(O)c2ccsc2)cc1 ZINC000077552370 454121643 /nfs/dbraw/zinc/12/16/43/454121643.db2.gz VGASYWKADQAYDS-MRXNPFEDSA-N 0 0 336.482 3.177 40 0 EGABRN Cc1nccn1Cc1ccc(C(=O)NCCCOC2CCCC2)cc1 ZINC000044851331 454122347 /nfs/dbraw/zinc/12/23/47/454122347.db2.gz DLBGKCKSCUXUIJ-UHFFFAOYSA-N 0 0 341.455 3.319 40 0 EGABRN COc1cccc(O[C@H](C)C(=O)NCCCc2ccccc2OC)c1 ZINC000044849788 454122413 /nfs/dbraw/zinc/12/24/13/454122413.db2.gz AFJZTHVWTDXADY-OAHLLOKOSA-N 0 0 343.423 3.220 40 0 EGABRN O=C(/C=C/c1ccsc1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000044874916 454123682 /nfs/dbraw/zinc/12/36/82/454123682.db2.gz ONFVIKJGHYJXRC-BWPKMQGJSA-N 0 0 348.493 3.013 40 0 EGABRN COc1ccc(CNC(=O)CN(C)[C@H](C)c2cccs2)cc1OC ZINC000044891781 454124427 /nfs/dbraw/zinc/12/44/27/454124427.db2.gz WQWRQQPEZLMBJY-CYBMUJFWSA-N 0 0 348.468 3.075 40 0 EGABRN COc1cc(C(=O)N[C@@H](c2nccn2C)c2ccccc2)ccc1C ZINC000044889262 454124570 /nfs/dbraw/zinc/12/45/70/454124570.db2.gz XTZZYSFDPGFGAT-GOSISDBHSA-N 0 0 335.407 3.257 40 0 EGABRN CSCc1nc2ccccc2n1CC(=O)Nc1cccc(C)n1 ZINC000044890101 454124605 /nfs/dbraw/zinc/12/46/05/454124605.db2.gz ADWHMXVLMCMAAB-UHFFFAOYSA-N 0 0 326.425 3.241 40 0 EGABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(N)=O ZINC000044904455 454125486 /nfs/dbraw/zinc/12/54/86/454125486.db2.gz WQQDKDAWFZLLLL-INIZCTEOSA-N 0 0 326.396 3.198 40 0 EGABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(C)cc1 ZINC000044901997 454125602 /nfs/dbraw/zinc/12/56/02/454125602.db2.gz BBMBVEJTPWYUOH-LJQANCHMSA-N 0 0 343.423 3.356 40 0 EGABRN CCOc1cccc(CNC(=O)c2ccc(Cn3ccnc3)cc2)c1 ZINC000044919872 454127191 /nfs/dbraw/zinc/12/71/91/454127191.db2.gz SDEKYXHWTJNWDD-UHFFFAOYSA-N 0 0 335.407 3.260 40 0 EGABRN Cc1noc(C)c1NC(=O)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000077741716 454150657 /nfs/dbraw/zinc/15/06/57/454150657.db2.gz KOTFZHJVFAHSAD-HNNXBMFYSA-N 0 0 341.411 3.159 40 0 EGABRN C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000045904022 454194904 /nfs/dbraw/zinc/19/49/04/454194904.db2.gz SQXPNUYTUFWQJN-STQMWFEESA-N 0 0 345.370 3.242 40 0 EGABRN COc1cccc([C@H](C)Nc2ncnc3c2cnn3-c2ccccn2)c1 ZINC000046088345 454217306 /nfs/dbraw/zinc/21/73/06/454217306.db2.gz YXQCJLNQXMRJII-ZDUSSCGKSA-N 0 0 346.394 3.392 40 0 EGABRN CCOc1ccc([C@H](N)c2n[nH]c(-c3ccccc3)n2)cc1OCC ZINC000095534606 454230345 /nfs/dbraw/zinc/23/03/45/454230345.db2.gz ZDBRQMUZSKWHHJ-KRWDZBQOSA-N 0 0 338.411 3.317 40 0 EGABRN CCOc1cc([C@H](N)c2nnc(-c3ccccc3C)[nH]2)ccc1OC ZINC000095534430 454230609 /nfs/dbraw/zinc/23/06/09/454230609.db2.gz NVZNFYUFWKCBIS-KRWDZBQOSA-N 0 0 338.411 3.236 40 0 EGABRN O=C(NCc1ccnc(OCC(F)F)c1)c1c(F)ccc(F)c1F ZINC000131309081 454245736 /nfs/dbraw/zinc/24/57/36/454245736.db2.gz AIJXGHSFGPQTDI-UHFFFAOYSA-N 0 0 346.255 3.073 40 0 EGABRN COc1cc(C2=N/C(=C/c3ccco3)C(=O)O2)ccc1OC(F)F ZINC000096021382 454263805 /nfs/dbraw/zinc/26/38/05/454263805.db2.gz OPYCOXRLVIHURR-DHZHZOJOSA-N 0 0 335.262 3.234 40 0 EGABRN O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000059916548 454265074 /nfs/dbraw/zinc/26/50/74/454265074.db2.gz PPQGDDLNQINKKW-UHFFFAOYSA-N 0 0 345.830 3.395 40 0 EGABRN CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cc3ccccc3o1)C2 ZINC000096039484 454265547 /nfs/dbraw/zinc/26/55/47/454265547.db2.gz JICWAJZGHSNPNS-ICSRJNTNSA-N 0 0 343.423 3.481 40 0 EGABRN Cc1cc(C(=O)N2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)c(C)[nH]1 ZINC000096039948 454266272 /nfs/dbraw/zinc/26/62/72/454266272.db2.gz UYALBFROOVNTQM-UYAOXDASSA-N 0 0 346.471 3.069 40 0 EGABRN Cc1cc(C(=O)N2CC[C@H]3C[C@H](c4nc(C)c(C)s4)O[C@@H]3C2)no1 ZINC000096046107 454267805 /nfs/dbraw/zinc/26/78/05/454267805.db2.gz YXYXMAXIOIOKEL-NWANDNLSSA-N 0 0 347.440 3.049 40 0 EGABRN N[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)s1 ZINC000072227210 454275386 /nfs/dbraw/zinc/27/53/86/454275386.db2.gz DAHNTPKVQCCKJP-NWDGAFQWSA-N 0 0 341.205 3.065 40 0 EGABRN Cc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Br)cc2)c1 ZINC000072227413 454275702 /nfs/dbraw/zinc/27/57/02/454275702.db2.gz CAQDNOQPAMOWBN-CABCVRRESA-N 0 0 331.213 3.173 40 0 EGABRN COc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1 ZINC000096059022 454276734 /nfs/dbraw/zinc/27/67/34/454276734.db2.gz ZYBLTUFMJQXXKE-UHFFFAOYSA-N 0 0 341.455 3.224 40 0 EGABRN Cc1ccc(Nc2ncnc3c2CCN(C(=O)c2ccoc2)CC3)cc1 ZINC000096084087 454280662 /nfs/dbraw/zinc/28/06/62/454280662.db2.gz POONLSGEJXJIQK-UHFFFAOYSA-N 0 0 348.406 3.363 40 0 EGABRN Cc1cc(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c(C)o1 ZINC000096103718 454283286 /nfs/dbraw/zinc/28/32/86/454283286.db2.gz CIGYLHOSTYTJHL-UHFFFAOYSA-N 0 0 341.333 3.419 40 0 EGABRN Cc1nc(COCc2cnc3n2CCN(C2CCC2)[C@@H]3C)cs1 ZINC000096109876 454286292 /nfs/dbraw/zinc/28/62/92/454286292.db2.gz SAHSHNFODACYOZ-GFCCVEGCSA-N 0 0 332.473 3.294 40 0 EGABRN Cc1ccc2[nH]c(CO[C@H]3CN(Cc4nccs4)C[C@H]3F)nc2c1 ZINC000096112325 454287503 /nfs/dbraw/zinc/28/75/03/454287503.db2.gz AJLDURMKCKNJDI-DOMZBBRYSA-N 0 0 346.431 3.067 40 0 biogenic,in-vitro EGABRN CC[C@H](C(=O)NCc1nc(C)cc(N2CCCC2)n1)c1ccccc1 ZINC000096120784 454288696 /nfs/dbraw/zinc/28/86/96/454288696.db2.gz UBGIKBOIJFQXKG-KRWDZBQOSA-N 0 0 338.455 3.195 40 0 EGABRN Cc1ccc(C)c(C(=O)NCc2cc(C)nc(N3CCCCC3)n2)c1 ZINC000096121100 454288888 /nfs/dbraw/zinc/28/88/88/454288888.db2.gz MWVGQSTTXNPJQY-UHFFFAOYSA-N 0 0 338.455 3.322 40 0 EGABRN Cc1ccc([C@H]2[C@H](C(=O)N(C)Cc3cccs3)CC(=O)N2C)cc1 ZINC000096181254 454298313 /nfs/dbraw/zinc/29/83/13/454298313.db2.gz NWZQDIOHUSHOSW-AEFFLSMTSA-N 0 0 342.464 3.235 40 0 EGABRN Cc1ccc([C@H]2[C@@H](C(=O)N(C)Cc3cccs3)CC(=O)N2C)cc1 ZINC000096181256 454298489 /nfs/dbraw/zinc/29/84/89/454298489.db2.gz NWZQDIOHUSHOSW-WMZOPIPTSA-N 0 0 342.464 3.235 40 0 EGABRN Cn1cnc2c1[C@H](COCc1ccccc1)N(Cc1ccncc1)CC2 ZINC000096187734 454300261 /nfs/dbraw/zinc/30/02/61/454300261.db2.gz OVFNIYKKWGNIOI-FQEVSTJZSA-N 0 0 348.450 3.131 40 0 EGABRN CCn1ccc(NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)n1 ZINC000096192838 454301226 /nfs/dbraw/zinc/30/12/26/454301226.db2.gz CBJQXZBXEVOLHF-MRXNPFEDSA-N 0 0 332.791 3.078 40 0 EGABRN Cc1ccc(C(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccnc3)C2)cc1C ZINC000096226858 454308376 /nfs/dbraw/zinc/30/83/76/454308376.db2.gz NJMIUAAKYMVVLM-RXVVDRJESA-N 0 0 349.434 3.189 40 0 EGABRN O=C(Nc1cccc(F)c1)[C@@H]1C[C@@]12CCN(C(=O)NC1CCCC1)C2 ZINC000096227306 454308772 /nfs/dbraw/zinc/30/87/72/454308772.db2.gz WQKOOEXYCKEEHS-QFBILLFUSA-N 0 0 345.418 3.128 40 0 EGABRN O=C(NC1CC1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn21 ZINC000096266957 454315122 /nfs/dbraw/zinc/31/51/22/454315122.db2.gz ZLYQREDCIZFPNP-UHFFFAOYSA-N 0 0 343.390 3.079 40 0 EGABRN Cc1csc(-c2cccc(NC(=O)NCCc3cnn(C)c3)c2)n1 ZINC000096403215 454322194 /nfs/dbraw/zinc/32/21/94/454322194.db2.gz NMDFPGMINGDHIR-UHFFFAOYSA-N 0 0 341.440 3.216 40 0 EGABRN Cc1nc(-c2cc(C(=O)N[C@@H]3CCC[C@H]3n3ccnc3)co2)cs1 ZINC000096403372 454322294 /nfs/dbraw/zinc/32/22/94/454322294.db2.gz VWAVDAIUEMSJRC-UKRRQHHQSA-N 0 0 342.424 3.432 40 0 EGABRN Cc1ncc(/C=C/C(=O)NCc2cccc(NC(=O)C(C)C)c2)s1 ZINC000096405669 454324590 /nfs/dbraw/zinc/32/45/90/454324590.db2.gz RHBHKEHIPCVUKC-BQYQJAHWSA-N 0 0 343.452 3.376 40 0 EGABRN COCCCNC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000096407015 454325282 /nfs/dbraw/zinc/32/52/82/454325282.db2.gz CLCABUUTOYBNGH-XMMPIXPASA-N 0 0 346.452 3.152 40 0 EGABRN CCOc1cc(C(=O)N2CCC(OCc3ccccc3)CC2)ccn1 ZINC000096409813 454327013 /nfs/dbraw/zinc/32/70/13/454327013.db2.gz MYJNAKIDSHYRAX-UHFFFAOYSA-N 0 0 340.423 3.302 40 0 EGABRN CN(C)c1cccc([C@H]2CCCN2C(=O)CCCn2ccnc2)c1 ZINC000096410160 454328045 /nfs/dbraw/zinc/32/80/45/454328045.db2.gz SQLAEOSSVIRDTL-GOSISDBHSA-N 0 0 326.444 3.093 40 0 EGABRN Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2cccc(-n3cncn3)c2)s1 ZINC000096410002 454328125 /nfs/dbraw/zinc/32/81/25/454328125.db2.gz YZBRRXRWMBECOB-CVEARBPZSA-N 0 0 338.436 3.057 40 0 EGABRN CN(C)c1cccc([C@@H]2CCCN2C(=O)CCCn2ccnc2)c1 ZINC000096410159 454328452 /nfs/dbraw/zinc/32/84/52/454328452.db2.gz SQLAEOSSVIRDTL-SFHVURJKSA-N 0 0 326.444 3.093 40 0 EGABRN Cc1cc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)c2ccccc2n1 ZINC000096412952 454330113 /nfs/dbraw/zinc/33/01/13/454330113.db2.gz LNNURZOUPDIMDQ-IBGZPJMESA-N 0 0 337.398 3.341 40 0 EGABRN Cn1cccc1C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000096412629 454330687 /nfs/dbraw/zinc/33/06/87/454330687.db2.gz KHYDHKGPULFMCV-QGZVFWFLSA-N 0 0 332.831 3.264 40 0 EGABRN Cc1cc(NC(=O)CCCn2cccn2)ccc1OC1CCOCC1 ZINC000096414149 454331083 /nfs/dbraw/zinc/33/10/83/454331083.db2.gz OTUSTOYEOYFSAJ-UHFFFAOYSA-N 0 0 343.427 3.168 40 0 EGABRN CNc1ncc(C(=O)N(C)Cc2sccc2Br)s1 ZINC000132364740 454332014 /nfs/dbraw/zinc/33/20/14/454332014.db2.gz VSFNJVWHCGHLIL-UHFFFAOYSA-N 0 0 346.275 3.281 40 0 EGABRN CCOCc1cccc(NC(=O)C(=O)NC[C@@H](C)c2cccs2)c1 ZINC000096416092 454332302 /nfs/dbraw/zinc/33/23/02/454332302.db2.gz QQRLJRUZWUTOBA-CYBMUJFWSA-N 0 0 346.452 3.143 40 0 EGABRN C[C@@H](NC(=O)NC[C@@H](O)c1ccsc1)c1cc(F)c(F)c(F)c1 ZINC000096417747 454333626 /nfs/dbraw/zinc/33/36/26/454333626.db2.gz HKKUKBLOOJJUTH-AMIZOPFISA-N 0 0 344.358 3.259 40 0 EGABRN CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000096416975 454333646 /nfs/dbraw/zinc/33/36/46/454333646.db2.gz SBXQWHOZSDLFCV-ROUUACIJSA-N 0 0 331.456 3.113 40 0 EGABRN 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CCC[C@H](NC(=O)c1ncc2c(F)cccn21)[C@H](O)c1ccccc1 ZINC000529220372 313275833 /nfs/dbraw/zinc/27/58/33/313275833.db2.gz CUAQUUYXSFKENA-DOTOQJQBSA-N 0 0 341.386 3.106 40 0 EGABRN CCCCOC(=O)c1cc(N)c(Sc2nc[nH]n2)c(Cl)c1 ZINC000070462556 454169240 /nfs/dbraw/zinc/16/92/40/454169240.db2.gz JVAUAEACBGEYQS-UHFFFAOYSA-N 0 0 326.809 3.148 40 0 EGABRN COC(C)(C)C[C@H](C)NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000096494722 454370938 /nfs/dbraw/zinc/37/09/38/454370938.db2.gz MGTJFADZKHKKRZ-JTQLQIEISA-N 0 0 332.366 3.449 40 0 EGABRN CC(C)(C)c1nccc(NC(=O)c2ncccc2Br)n1 ZINC000225473314 456085689 /nfs/dbraw/zinc/08/56/89/456085689.db2.gz STKYFYRIHXQRBZ-UHFFFAOYSA-N 0 0 335.205 3.184 40 0 EGABRN COCCc1cc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)n(C)n1 ZINC000119161518 323216398 /nfs/dbraw/zinc/21/63/98/323216398.db2.gz NPHURFVRSWYPRA-HIFRSBDPSA-N 0 0 346.431 3.207 40 0 EGABRN CCO[C@@H](C)c1nc(CN2CCOC[C@@H]2c2cccn2C)cs1 ZINC000131940330 323220124 /nfs/dbraw/zinc/22/01/24/323220124.db2.gz FJKMIUUSOKXNKW-XJKSGUPXSA-N 0 0 335.473 3.153 40 0 EGABRN Cn1ccc(NC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)n1 ZINC000161681220 323223433 /nfs/dbraw/zinc/22/34/33/323223433.db2.gz IDYYRZLOSZFECX-UHFFFAOYSA-N 0 0 341.346 3.177 40 0 EGABRN O=C(NCc1csc(=O)[nH]1)c1ccc(Cl)cc1C(F)(F)F ZINC000184484384 323660405 /nfs/dbraw/zinc/66/04/05/323660405.db2.gz KLKCTIVTOMMQPB-UHFFFAOYSA-N 0 0 336.722 3.039 40 0 EGABRN O=C(N[C@H](CO)Cc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000390834337 324284039 /nfs/dbraw/zinc/28/40/39/324284039.db2.gz WNRXORMWSOBDTG-LBPRGKRZSA-N 0 0 342.197 3.466 40 0 EGABRN Cc1ccc(C(=O)N2CC[C@@H](c3noc(C(F)(F)F)n3)C2)cc1 ZINC000238912840 455260058 /nfs/dbraw/zinc/26/00/58/455260058.db2.gz SIDODABZMDURLL-LLVKDONJSA-N 0 0 325.290 3.027 40 0 EGABRN Cc1ccc2[nH]c(=NC3=NS(=O)(=O)c4ccccc43)sc2c1 ZINC000000151188 452522958 /nfs/dbraw/zinc/52/29/58/452522958.db2.gz BPRPUAIBKNVZAN-UHFFFAOYSA-N 0 0 329.406 3.166 40 0 EGABRN Cc1ccc(S(=O)(=O)CCc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000000258735 452547876 /nfs/dbraw/zinc/54/78/76/452547876.db2.gz 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/nfs/dbraw/zinc/62/65/76/452626576.db2.gz ZZARITDVIKHKQO-UHFFFAOYSA-N 0 0 332.315 3.333 40 0 EGABRN CN1CCN(C(=S)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000000573513 452628100 /nfs/dbraw/zinc/62/81/00/452628100.db2.gz BTSBOMTWSLACHC-UHFFFAOYSA-N 0 0 326.465 3.189 40 0 EGABRN COCCN(CCOC)[C@@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000001664785 452672480 /nfs/dbraw/zinc/67/24/80/452672480.db2.gz DCMKAWDMUNJOBN-OAQYLSRUSA-N 0 0 341.451 3.134 40 0 EGABRN CC(C)Cn1cnc2c1nc(N)nc2SCc1cccc(F)c1 ZINC000001680991 452675346 /nfs/dbraw/zinc/67/53/46/452675346.db2.gz NWOCWSPODDNKAL-UHFFFAOYSA-N 0 0 331.420 3.496 40 0 EGABRN CCOc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000002631181 452710848 /nfs/dbraw/zinc/71/08/48/452710848.db2.gz VPAJEBMDMHIKDZ-UHFFFAOYSA-N 0 0 339.844 3.260 40 0 EGABRN CC(=O)Cc1nsc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000002644817 452712501 /nfs/dbraw/zinc/71/25/01/452712501.db2.gz RRDMYRMJDPNUOQ-UHFFFAOYSA-N 0 0 330.196 3.229 40 0 EGABRN COc1ccccc1NC(=S)NC(=O)C[C@@H]1C[C@H](C(C)=O)C1(C)C ZINC000003101771 452742225 /nfs/dbraw/zinc/74/22/25/452742225.db2.gz KJEWJPPKKPDBDY-QWHCGFSZSA-N 0 0 348.468 3.150 40 0 EGABRN CCCC[C@@H](CC)CNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000003071268 452742769 /nfs/dbraw/zinc/74/27/69/452742769.db2.gz SWTMCSDRJZMNKA-OAHLLOKOSA-N 0 0 344.455 3.395 40 0 EGABRN CCc1ccc2nc(NC(=O)CNC(=O)c3ccccc3)sc2c1 ZINC000003294623 452758838 /nfs/dbraw/zinc/75/88/38/452758838.db2.gz RXTSAFMRYHWRAT-UHFFFAOYSA-N 0 0 339.420 3.227 40 0 EGABRN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc(C)oc2C)c1 ZINC000003463901 452769726 /nfs/dbraw/zinc/76/97/26/452769726.db2.gz XFCYBYZGAWRCBI-ZDUSSCGKSA-N 0 0 329.352 3.283 40 0 EGABRN COc1cccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 ZINC000003486507 452771652 /nfs/dbraw/zinc/77/16/52/452771652.db2.gz ZWWPGBCSLGGIPI-UHFFFAOYSA-N 0 0 336.391 3.404 40 0 EGABRN C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000004023072 452790105 /nfs/dbraw/zinc/79/01/05/452790105.db2.gz OFGHFEJLUUXXNZ-JJUHKQMMSA-N 0 0 338.463 3.412 40 0 biogenic EGABRN CN(C)C(=O)c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000005508924 452877974 /nfs/dbraw/zinc/87/79/74/452877974.db2.gz BPYPSYPNQUOXTI-UHFFFAOYSA-N 0 0 344.370 3.342 40 0 EGABRN COc1cc(OC)cc(OCC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000005497303 452879205 /nfs/dbraw/zinc/87/92/05/452879205.db2.gz IUZPOVIRGNOWQL-UHFFFAOYSA-N 0 0 349.814 3.095 40 0 EGABRN CCSc1nnc2c(n1)O[C@@H](c1ccc[nH]1)Nc1ccccc1-2 ZINC000005585945 452885772 /nfs/dbraw/zinc/88/57/72/452885772.db2.gz HHBUFBZTWMPGGT-AWEZNQCLSA-N 0 0 325.397 3.482 40 0 EGABRN Cc1cc2c(cc1C)NC(=O)[C@@H](NC(=O)/C=C\c1ccccc1)C=N2 ZINC000005722967 452897587 /nfs/dbraw/zinc/89/75/87/452897587.db2.gz AVJOPEFEVYSOOB-GIFJBRJJSA-N 0 0 333.391 3.156 40 0 EGABRN O=C(OCc1cc(=O)n2ccsc2n1)C12CC3CC(CC(C3)C1)C2 ZINC000006063728 452919606 /nfs/dbraw/zinc/91/96/06/452919606.db2.gz FWEXVQSHDSKPNV-UHFFFAOYSA-N 0 0 344.436 3.016 40 0 EGABRN CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2)cc1 ZINC000006065596 452919662 /nfs/dbraw/zinc/91/96/62/452919662.db2.gz QTWNUOOYVVNSRO-UHFFFAOYSA-N 0 0 341.363 3.049 40 0 EGABRN O=c1c2cc(Br)ccc2ncn1Cc1ccc(F)cc1 ZINC000006112183 452920994 /nfs/dbraw/zinc/92/09/94/452920994.db2.gz GTRZUQUSOBSPNL-UHFFFAOYSA-N 0 0 333.160 3.346 40 0 EGABRN CC(=O)Nc1ccc(C(=O)COC(=O)CCc2ccccc2)cc1 ZINC000006375345 452938388 /nfs/dbraw/zinc/93/83/88/452938388.db2.gz LXPCWUURWIBCPH-UHFFFAOYSA-N 0 0 325.364 3.004 40 0 EGABRN CCOc1ccc(C(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000006606948 452958235 /nfs/dbraw/zinc/95/82/35/452958235.db2.gz AGTRVDGSTNTSAM-UHFFFAOYSA-N 0 0 344.363 3.142 40 0 EGABRN C[C@@H](OC(=O)/C=C/c1cccc(F)c1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000006642842 452962104 /nfs/dbraw/zinc/96/21/04/452962104.db2.gz WAPPGCSRMPOTSJ-GCHJVOKISA-N 0 0 333.403 3.466 40 0 EGABRN CCCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2OC)C1=O ZINC000006655996 452965047 /nfs/dbraw/zinc/96/50/47/452965047.db2.gz XPMURJGCQZFFJS-RIYZIHGNSA-N 0 0 337.397 3.159 40 0 EGABRN Cc1ccc(-n2nc3c(c2NC(=O)C2CCCC2)C[S@@](=O)C3)cc1 ZINC000006725003 452977886 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ZINC000007552139 453085747 /nfs/dbraw/zinc/08/57/47/453085747.db2.gz OOJNHMYXGGYXRJ-LBPRGKRZSA-N 0 0 344.358 3.013 40 0 EGABRN CCCC1=NC(=S)N[C@@H](c2ccc(Cl)cc2)C1C(=O)OCC ZINC000007552995 453085816 /nfs/dbraw/zinc/08/58/16/453085816.db2.gz XNOHIRLKXIBFEM-AWEZNQCLSA-N 0 0 338.860 3.476 40 0 EGABRN Cc1cc(C(=O)OCC(=O)Nc2cccnc2Cl)c(C)n1C1CC1 ZINC000007575416 453087201 /nfs/dbraw/zinc/08/72/01/453087201.db2.gz VYWGZRDPMQNDLQ-UHFFFAOYSA-N 0 0 347.802 3.284 40 0 EGABRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2OC)CC1=O ZINC000007881966 453127318 /nfs/dbraw/zinc/12/73/18/453127318.db2.gz ZBLJMMMEJKVSCR-HNNXBMFYSA-N 0 0 338.407 3.249 40 0 EGABRN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000007889031 453130186 /nfs/dbraw/zinc/13/01/86/453130186.db2.gz UIBXHAYPVYPFIE-UHFFFAOYSA-N 0 0 326.371 3.025 40 0 EGABRN Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(F)cc2)CC1=O ZINC000007928328 453135540 /nfs/dbraw/zinc/13/55/40/453135540.db2.gz WKXUXUATWOEDMQ-AWEZNQCLSA-N 0 0 326.371 3.434 40 0 EGABRN 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454339224 /nfs/dbraw/zinc/33/92/24/454339224.db2.gz CWZNLIKRQMAARW-GFCCVEGCSA-N 0 0 349.228 3.270 40 0 EGABRN CCN(C(=O)c1cc(N2CCNC2=O)c(F)cc1F)[C@H](C)C(C)C ZINC000096427068 454340003 /nfs/dbraw/zinc/34/00/03/454340003.db2.gz KUZMXXVYENIETN-LLVKDONJSA-N 0 0 339.386 3.001 40 0 EGABRN CCc1c(Cl)nc(C)nc1NCc1c(C)nn(CCOC)c1C ZINC000096427339 454340601 /nfs/dbraw/zinc/34/06/01/454340601.db2.gz NJFRVTOVLWLBND-UHFFFAOYSA-N 0 0 337.855 3.073 40 0 EGABRN CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)Cc2c(C)noc2C)C12CCCC2 ZINC000096432568 454343240 /nfs/dbraw/zinc/34/32/40/454343240.db2.gz PDCOUVBWQMCMRN-AFAVFJNCSA-N 0 0 334.460 3.324 40 0 EGABRN O=C(c1cccc2cn[nH]c21)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000096432879 454343298 /nfs/dbraw/zinc/34/32/98/454343298.db2.gz OLOLLUPUSYWQKV-SJLPKXTDSA-N 0 0 335.407 3.291 40 0 EGABRN Cn1cc(Br)cc1C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000096433044 454343571 /nfs/dbraw/zinc/34/35/71/454343571.db2.gz ROHTYMXQXFTXJK-OAHLLOKOSA-N 0 0 349.228 3.001 40 0 EGABRN 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337.383 3.271 40 0 EGABRN C[C@@H](CNC(=O)c1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000096444760 454352154 /nfs/dbraw/zinc/35/21/54/454352154.db2.gz NRMVHIJPMXUXGY-AWEZNQCLSA-N 0 0 344.480 3.243 40 0 EGABRN Cc1nnc(-c2ccc(C(=O)N[C@@H](C)Cc3ccsc3)cc2)o1 ZINC000096444649 454352230 /nfs/dbraw/zinc/35/22/30/454352230.db2.gz RERXQGQXDGDZQD-NSHDSACASA-N 0 0 327.409 3.468 40 0 EGABRN C[S@](=O)C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000096445425 454352833 /nfs/dbraw/zinc/35/28/33/454352833.db2.gz WITOCEQSQQKZJL-OPAMFIHVSA-N 0 0 335.856 3.119 40 0 EGABRN COC[C@H](NC(=O)Nc1cc(F)c(OC)c(F)c1)c1ccc(C)o1 ZINC000096445900 454352900 /nfs/dbraw/zinc/35/29/00/454352900.db2.gz NFHAUXURJAKTCL-ZDUSSCGKSA-N 0 0 340.326 3.384 40 0 EGABRN CC(C)[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)c2ccccc2N1 ZINC000096449922 454354995 /nfs/dbraw/zinc/35/49/95/454354995.db2.gz CNOMGYOUOSXPAK-SFHVURJKSA-N 0 0 347.422 3.364 40 0 EGABRN C[S@@](=O)c1cccc(NC(=O)NCc2ccnc3ccccc23)c1 ZINC000096452224 454356154 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CC(=O)c1ccc(CNC(=O)c2cc(F)c(F)c(F)c2F)nc1C ZINC000096495223 454370734 /nfs/dbraw/zinc/37/07/34/454370734.db2.gz GJFWGWQOZFJYLN-UHFFFAOYSA-N 0 0 340.276 3.079 40 0 EGABRN COCC1CCN(C(=O)Cc2ccc(Br)cc2C)CC1 ZINC000096497087 454370744 /nfs/dbraw/zinc/37/07/44/454370744.db2.gz ZSPRFGWDSOKIFJ-UHFFFAOYSA-N 0 0 340.261 3.185 40 0 EGABRN CCOC[C@H]1CCN(C(=O)N[C@@H]2CCCOc3c(F)cccc32)C1 ZINC000096499854 454371798 /nfs/dbraw/zinc/37/17/98/454371798.db2.gz KAWDLAGGFWJGPI-XJKSGUPXSA-N 0 0 336.407 3.107 40 0 EGABRN C[C@@H](CO)N1Cc2cccc(NC(=O)c3cccc4ncccc43)c2C1 ZINC000096502603 454372837 /nfs/dbraw/zinc/37/28/37/454372837.db2.gz NMKAJUMDMOJIQE-AWEZNQCLSA-N 0 0 347.418 3.184 40 0 EGABRN Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3C)CC2=O)cc1C ZINC000096685674 454376843 /nfs/dbraw/zinc/37/68/43/454376843.db2.gz FKQZTMHCDQQKMI-SFHVURJKSA-N 0 0 336.435 3.281 40 0 EGABRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(Cl)cc3F)C2)nc1 ZINC000079296476 454393257 /nfs/dbraw/zinc/39/32/57/454393257.db2.gz IKWZZCLZCFWHTH-GFCCVEGCSA-N 0 0 348.809 3.433 40 0 EGABRN CC(C)c1ocnc1CN1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000097095921 454404973 /nfs/dbraw/zinc/40/49/73/454404973.db2.gz KFOXRJMUVSOQPV-INIZCTEOSA-N 0 0 328.412 3.272 40 0 EGABRN C[C@@H]1CN(C(=O)Nc2cccc(S(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000097098835 454406072 /nfs/dbraw/zinc/40/60/72/454406072.db2.gz WTQVWCQFUNZFDQ-DYVFJYSZSA-N 0 0 344.436 3.315 40 0 EGABRN COc1ccc([C@H](NC(=O)N(C)C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000097100271 454406274 /nfs/dbraw/zinc/40/62/74/454406274.db2.gz LVCSNLZQABXHQT-KBPBESRZSA-N 0 0 346.349 3.119 40 0 EGABRN CC(=O)NC1CCC(Nc2ccc(C)cc2OC[C@H]2CCCO2)CC1 ZINC000097102559 454407026 /nfs/dbraw/zinc/40/70/26/454407026.db2.gz JCZWIKXASMSAOS-DAWZGUTISA-N 0 0 346.471 3.412 40 0 EGABRN CC[C@@H](NC(=O)N1CCC[C@@]1(C)CO)c1ccc(OC(F)F)cc1 ZINC000097103120 454407079 /nfs/dbraw/zinc/40/70/79/454407079.db2.gz ZRBFFGVWLPKNFZ-PBHICJAKSA-N 0 0 342.386 3.296 40 0 EGABRN Cc1cc(NC(=O)N([C@H](C)C(C)C)C2CC2)ccc1S(C)(=O)=O ZINC000097103682 454407814 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CC(=O)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2n2nnnc12 ZINC000001367471 452656626 /nfs/dbraw/zinc/65/66/26/452656626.db2.gz LVFGGNUEGRIZII-UHFFFAOYSA-N 0 0 349.394 3.036 40 0 EGABRN CC[C@H](OC(=O)c1cccs1)C(=O)NCc1ccc(OC)cc1 ZINC000001381154 452656640 /nfs/dbraw/zinc/65/66/40/452656640.db2.gz UTPGICIRXWSCCS-AWEZNQCLSA-N 0 0 333.409 3.009 40 0 EGABRN CC(C)[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccc(F)cc1 ZINC000001381119 452656680 /nfs/dbraw/zinc/65/66/80/452656680.db2.gz LNFHKRMYUROUFW-OAHLLOKOSA-N 0 0 335.400 3.385 40 0 EGABRN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)cc1 ZINC000001379637 452657060 /nfs/dbraw/zinc/65/70/60/452657060.db2.gz HFJUPCKSFUGRFM-KRWDZBQOSA-N 0 0 345.443 3.140 40 0 EGABRN CCOC(=O)[C@H](CC)Sc1nnc2c(n1)[nH]c1ccc(C)cc12 ZINC000001366076 452657175 /nfs/dbraw/zinc/65/71/75/452657175.db2.gz BRWPUCSOJAFZJB-LBPRGKRZSA-N 0 0 330.413 3.248 40 0 EGABRN CCc1ccccc1NC(=O)COC(=O)COc1cc(C)cc(C)c1 ZINC000001936044 452681824 /nfs/dbraw/zinc/68/18/24/452681824.db2.gz VZHMTCRQPRWMDL-UHFFFAOYSA-N 0 0 341.407 3.427 40 0 EGABRN CC(=O)O[C@H](NC(=O)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000003123055 452743895 /nfs/dbraw/zinc/74/38/95/452743895.db2.gz JOSSNOIYLVSWDX-JTQLQIEISA-N 0 0 339.606 3.376 40 0 EGABRN COc1cc(NC(=O)CN(C)Cc2ccccc2Cl)cc(OC)c1 ZINC000003349822 452759671 /nfs/dbraw/zinc/75/96/71/452759671.db2.gz AXWUHQSBINEROS-UHFFFAOYSA-N 0 0 348.830 3.428 40 0 EGABRN CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003400909 452764518 /nfs/dbraw/zinc/76/45/18/452764518.db2.gz NQIQYTQWMICWSE-UHFFFAOYSA-N 0 0 332.787 3.202 40 0 EGABRN C[C@@H](OC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)C(N)=O ZINC000003482192 452772449 /nfs/dbraw/zinc/77/24/49/452772449.db2.gz RIIXIKNYOGQBBV-HPUUJOOBSA-N 0 0 347.773 3.437 40 0 EGABRN COc1ccc2[nH]c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc2c1 ZINC000003536035 452779512 /nfs/dbraw/zinc/77/95/12/452779512.db2.gz BUBVIPOFGNLTEO-AAEUAGOBSA-N 0 0 333.457 3.359 40 0 EGABRN CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000005007401 452832030 /nfs/dbraw/zinc/83/20/30/452832030.db2.gz 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/nfs/dbraw/zinc/93/49/50/452934950.db2.gz MRVDXTWAFVMIEQ-UVTDQMKNSA-N 0 0 332.381 3.044 40 0 EGABRN COc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(N)c2)c1 ZINC000006422063 452943897 /nfs/dbraw/zinc/94/38/97/452943897.db2.gz DMZALXMQRWBDDC-JTQLQIEISA-N 0 0 348.786 3.115 40 0 EGABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000006553251 452953779 /nfs/dbraw/zinc/95/37/79/452953779.db2.gz RQFHGGKNUNXWEH-UHFFFAOYSA-N 0 0 346.452 3.486 40 0 EGABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2C)C1=O ZINC000006650472 452964442 /nfs/dbraw/zinc/96/44/42/452964442.db2.gz GLAUZCIIZSBUGY-GXDHUFHOSA-N 0 0 333.409 3.375 40 0 EGABRN CCOc1ccc([C@@H]2S[C@H](C)C(=O)Nc3n[nH]c(C)c32)cc1OC ZINC000006678813 452969855 /nfs/dbraw/zinc/96/98/55/452969855.db2.gz ZPRVKJODFLISRJ-BMIGLBTASA-N 0 0 347.440 3.289 40 0 EGABRN O=C(Nc1nn2c(nnc2-c2cccs2)s1)c1cccc(F)c1 ZINC000006818144 452994821 /nfs/dbraw/zinc/99/48/21/452994821.db2.gz GTYAHZOQAGZALE-UHFFFAOYSA-N 0 0 345.384 3.306 40 0 EGABRN O=c1c2ccccc2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000006988423 453015589 /nfs/dbraw/zinc/01/55/89/453015589.db2.gz YNCQSYWZGSENCX-UHFFFAOYSA-N 0 0 338.754 3.148 40 0 EGABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(C)s2)C1=O ZINC000007078103 453030274 /nfs/dbraw/zinc/03/02/74/453030274.db2.gz WFESWPCOGYVBSO-SZUMLMDFSA-N 0 0 339.438 3.435 40 0 EGABRN CC(C)c1cc(C(=O)OCC(=O)N2CCCC2)c(O)c(C(C)C)c1 ZINC000007204948 453042742 /nfs/dbraw/zinc/04/27/42/453042742.db2.gz FVNNWVCMVRFJKK-UHFFFAOYSA-N 0 0 333.428 3.418 40 0 EGABRN COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1F ZINC000007219846 453046786 /nfs/dbraw/zinc/04/67/86/453046786.db2.gz GULKORORQLDWIY-UHFFFAOYSA-N 0 0 342.414 3.414 40 0 EGABRN CCOC(=O)c1cccc(NC(=S)NCc2ccc(OC)cc2)c1 ZINC000007369009 453066199 /nfs/dbraw/zinc/06/61/99/453066199.db2.gz NMJIFZUGNMWTBH-UHFFFAOYSA-N 0 0 344.436 3.359 40 0 EGABRN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F ZINC000007418526 453074871 /nfs/dbraw/zinc/07/48/71/453074871.db2.gz UEAMMYLZOKCFNW-UHFFFAOYSA-N 0 0 331.315 3.222 40 0 EGABRN COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000007552143 453085307 /nfs/dbraw/zinc/08/53/07/453085307.db2.gz OOJNHMYXGGYXRJ-GFCCVEGCSA-N 0 0 344.358 3.013 40 0 EGABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000007595567 453089746 /nfs/dbraw/zinc/08/97/46/453089746.db2.gz JICIMYXRGSUCNR-UHFFFAOYSA-N 0 0 346.814 3.368 40 0 EGABRN COc1cc(CNn2cnnc2)ccc1OCc1cccc(Cl)c1 ZINC000007601168 453091313 /nfs/dbraw/zinc/09/13/13/453091313.db2.gz IMIWQNBQMWZTIL-UHFFFAOYSA-N 0 0 344.802 3.263 40 0 EGABRN CCc1ccccc1N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC1=O ZINC000007881935 453127156 /nfs/dbraw/zinc/12/71/56/453127156.db2.gz JQFMODYQOUHXEA-CRAIPNDOSA-N 0 0 336.435 3.479 40 0 EGABRN CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 ZINC000007929013 453135217 /nfs/dbraw/zinc/13/52/17/453135217.db2.gz BLMLWRFZDANFBT-OAHLLOKOSA-N 0 0 339.391 3.216 40 0 EGABRN COc1cccc(N2C[C@@H](C(=O)Oc3ccccc3Cl)CC2=O)c1 ZINC000007928734 453136002 /nfs/dbraw/zinc/13/60/02/453136002.db2.gz HUMBHVXTZDJDOP-LBPRGKRZSA-N 0 0 345.782 3.307 40 0 EGABRN O=C(COC(=O)Cc1c[nH]c2ccccc12)NC1CCCCCCC1 ZINC000007988638 453146571 /nfs/dbraw/zinc/14/65/71/453146571.db2.gz AIFNHGROZQHGBS-UHFFFAOYSA-N 0 0 342.439 3.483 40 0 EGABRN COc1cc(S(=O)(=O)NCCSC2CCCCC2)ccc1F ZINC000008041608 453154634 /nfs/dbraw/zinc/15/46/34/453154634.db2.gz ARAYPCOCCJSMAG-UHFFFAOYSA-N 0 0 347.477 3.179 40 0 EGABRN CC(C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000008073416 453158403 /nfs/dbraw/zinc/15/84/03/453158403.db2.gz XLEBBIUXESSRHI-KBXCAEBGSA-N 0 0 339.439 3.224 40 0 EGABRN CCOc1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)cc1 ZINC000008109913 453161900 /nfs/dbraw/zinc/16/19/00/453161900.db2.gz WVUINPYLIITDHI-UHFFFAOYSA-N 0 0 332.381 3.336 40 0 EGABRN O=C(NCCOc1ccc2ccccc2c1)[C@H]1COc2ccccc2O1 ZINC000008116341 453163862 /nfs/dbraw/zinc/16/38/62/453163862.db2.gz PLVCOYHBAUTYBD-HXUWFJFHSA-N 0 0 349.386 3.175 40 0 EGABRN COc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1Cl ZINC000008429820 453202366 /nfs/dbraw/zinc/20/23/66/453202366.db2.gz KPNXIHRTBPYVGI-UHFFFAOYSA-N 0 0 333.771 3.301 40 0 EGABRN COC(=O)c1c(NC=O)c2cc(OCc3ccccc3)ccc2n1C ZINC000008417120 453203309 /nfs/dbraw/zinc/20/33/09/453203309.db2.gz RRYWFCSAKFPRQS-UHFFFAOYSA-N 0 0 338.363 3.112 40 0 EGABRN CCc1ccccc1NC(=O)COC(=O)CCC(=O)c1ccccc1 ZINC000008433606 453204356 /nfs/dbraw/zinc/20/43/56/453204356.db2.gz XWAMHIRBWFLECK-UHFFFAOYSA-N 0 0 339.391 3.394 40 0 EGABRN CC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000009064189 453241978 /nfs/dbraw/zinc/24/19/78/453241978.db2.gz BQUXIGFMVFZJGR-UHFFFAOYSA-N 0 0 327.365 3.033 40 0 EGABRN O=C(NC(=S)NCc1ccccc1)c1cccc(Br)c1 ZINC000009140784 453244234 /nfs/dbraw/zinc/24/42/34/453244234.db2.gz WDFFUTDPAQNQBC-UHFFFAOYSA-N 0 0 349.253 3.254 40 0 EGABRN C[C@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000010298970 453283893 /nfs/dbraw/zinc/28/38/93/453283893.db2.gz LANAGJQULHFLEH-ZENNRRHLSA-N 0 0 349.346 3.464 40 0 EGABRN COc1ccc(O[C@H](C)C(=O)NCCSc2ccccc2)cc1 ZINC000011709836 453331053 /nfs/dbraw/zinc/33/10/53/453331053.db2.gz BWMCMDONNWSOPG-CQSZACIVSA-N 0 0 331.437 3.371 40 0 EGABRN C[C@@]12CS(=O)(=O)C[C@@H]1SC(=S)N2c1ccc2ccccc2c1 ZINC000012139553 453346715 /nfs/dbraw/zinc/34/67/15/453346715.db2.gz RTTMITPPNKPTFY-GOEBONIOSA-N 0 0 349.502 3.234 40 0 EGABRN O=C(CCc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000012533736 453367536 /nfs/dbraw/zinc/36/75/36/453367536.db2.gz XQPNOSMXCSDYBC-UHFFFAOYSA-N 0 0 328.387 3.234 40 0 EGABRN Cc1cccc(C)c1OCCn1c2ccccc2nc1NCCO ZINC000012540418 453369001 /nfs/dbraw/zinc/36/90/01/453369001.db2.gz KXPKPYXZBWUUFE-UHFFFAOYSA-N 0 0 325.412 3.136 40 0 EGABRN CCN(C(=O)CCn1c(=O)oc2ccccc21)c1ccc(F)cc1 ZINC000012806962 453407559 /nfs/dbraw/zinc/40/75/59/453407559.db2.gz IYZRDNBATFVTKM-UHFFFAOYSA-N 0 0 328.343 3.177 40 0 EGABRN O=C1c2ccccc2C(=O)N1CSc1nnc(C2CCCCC2)o1 ZINC000012820261 453410834 /nfs/dbraw/zinc/41/08/34/453410834.db2.gz GATOCVMTBOJNIK-UHFFFAOYSA-N 0 0 343.408 3.463 40 0 EGABRN CCC(C)(C)NC(=O)CCn1c(=S)[nH]nc1-c1ccc(OC)cc1 ZINC000012976295 453432401 /nfs/dbraw/zinc/43/24/01/453432401.db2.gz TZWOWCPDBZCONZ-UHFFFAOYSA-N 0 0 348.472 3.311 40 0 EGABRN Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(F)cc2)C(C)C)cc1 ZINC000012978915 453433015 /nfs/dbraw/zinc/43/30/15/453433015.db2.gz AYBNADDICIWEFE-GOSISDBHSA-N 0 0 342.414 3.205 40 0 EGABRN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cscn1 ZINC000013267185 453455578 /nfs/dbraw/zinc/45/55/78/453455578.db2.gz OJNOGODXKBLISY-OAHLLOKOSA-N 0 0 338.436 3.195 40 0 EGABRN COc1ccc2[nH]c(=O)c(CN(C(C)=O)c3ccc(C)cc3)cc2c1 ZINC000013479902 453467882 /nfs/dbraw/zinc/46/78/82/453467882.db2.gz HENOVGGVHJLTAO-UHFFFAOYSA-N 0 0 336.391 3.398 40 0 EGABRN Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000013710666 453483883 /nfs/dbraw/zinc/48/38/83/453483883.db2.gz JLVHGIQUNUNOHX-AWEZNQCLSA-N 0 0 327.380 3.116 40 0 EGABRN C[C@@H](Oc1ccccc1-c1ccccc1)C(=O)N[C@@H]1CCCOC1 ZINC000013995927 453494835 /nfs/dbraw/zinc/49/48/35/453494835.db2.gz IRBKVNQCDFSGGT-NVXWUHKLSA-N 0 0 325.408 3.416 40 0 EGABRN C[C@H](Oc1ccccc1-c1ccccc1)C(=O)N[C@H]1CCCOC1 ZINC000013995939 453495897 /nfs/dbraw/zinc/49/58/97/453495897.db2.gz IRBKVNQCDFSGGT-RDJZCZTQSA-N 0 0 325.408 3.416 40 0 EGABRN COc1cccc(CC(=S)N[C@H](C)[C@@H]2COc3ccccc3O2)c1 ZINC000013999724 453497848 /nfs/dbraw/zinc/49/78/48/453497848.db2.gz PYONNIRFXZDAOZ-ACJLOTCBSA-N 0 0 343.448 3.383 40 0 EGABRN COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(C)cc2)c1 ZINC000014138899 453511108 /nfs/dbraw/zinc/51/11/08/453511108.db2.gz UHZIPPRSODVKCB-AWEZNQCLSA-N 0 0 329.396 3.268 40 0 EGABRN COc1ccccc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000014158839 453512554 /nfs/dbraw/zinc/51/25/54/453512554.db2.gz BREMVJVUMJEDEV-UHFFFAOYSA-N 0 0 341.342 3.456 40 0 EGABRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000014219148 453521987 /nfs/dbraw/zinc/52/19/87/453521987.db2.gz MBCJDMVBXLBAHE-ZDUSSCGKSA-N 0 0 346.452 3.247 40 0 EGABRN CN(Cc1ccco1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000014260633 453527634 /nfs/dbraw/zinc/52/76/34/453527634.db2.gz TWECYVMCFMVAIY-UHFFFAOYSA-N 0 0 339.395 3.296 40 0 EGABRN CC[C@H](NC(=O)c1cnc(C)cn1)c1ccc(Br)cc1 ZINC000014597068 453540447 /nfs/dbraw/zinc/54/04/47/453540447.db2.gz SGLXYJAFJLYZPQ-ZDUSSCGKSA-N 0 0 334.217 3.429 40 0 EGABRN Cc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000014903958 453547340 /nfs/dbraw/zinc/54/73/40/453547340.db2.gz MKUNDDLVWXUUJO-RVDMUPIBSA-N 0 0 344.436 3.044 40 0 EGABRN CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000015338836 453568762 /nfs/dbraw/zinc/56/87/62/453568762.db2.gz AINVXUAIECBRMK-AWEZNQCLSA-N 0 0 346.452 3.040 40 0 EGABRN O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(Cc2cccs2)C1 ZINC000015674642 453582122 /nfs/dbraw/zinc/58/21/22/453582122.db2.gz WXKDYTRCVSLXQX-ZBFHGGJFSA-N 0 0 341.436 3.030 40 0 biogenic,in-vitro EGABRN CCC(=O)Nc1ccccc1SCc1cc(=O)n2ccsc2n1 ZINC000015731984 453583905 /nfs/dbraw/zinc/58/39/05/453583905.db2.gz AGQWQHYCTZTVDZ-UHFFFAOYSA-N 0 0 345.449 3.397 40 0 EGABRN CCOC(=O)c1ccc(NC(=S)N(CC)Cc2ccncc2)cc1 ZINC000016215728 453598079 /nfs/dbraw/zinc/59/80/79/453598079.db2.gz XGLIFURFNGZWLR-UHFFFAOYSA-N 0 0 343.452 3.477 40 0 EGABRN COc1ccc2c(c1)CC[C@@H](c1nc3ccc(C)cc3[nH]c1=O)C2=O ZINC000016941844 453624163 /nfs/dbraw/zinc/62/41/63/453624163.db2.gz AHUYEALVDXESPL-HNNXBMFYSA-N 0 0 334.375 3.153 40 0 EGABRN COc1ccccc1C1(CNC(=O)C2CCCCC2)CCOCC1 ZINC000016969863 453625297 /nfs/dbraw/zinc/62/52/97/453625297.db2.gz FVPIWHQYLHIWJR-UHFFFAOYSA-N 0 0 331.456 3.440 40 0 EGABRN Cc1c(Br)c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nn1C ZINC000017067165 453627341 /nfs/dbraw/zinc/62/73/41/453627341.db2.gz CWORNUZLCGBQQI-FXPVBKGRSA-N 0 0 328.254 3.046 40 0 EGABRN COCCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000017321672 453632878 /nfs/dbraw/zinc/63/28/78/453632878.db2.gz BRPCZJIFTLWOBF-UHFFFAOYSA-N 0 0 340.301 3.269 40 0 EGABRN O=C1CCCN1c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000018168005 453646041 /nfs/dbraw/zinc/64/60/41/453646041.db2.gz SBBNOCUJXHHEBC-ZENOOKHLSA-N 0 0 329.469 3.288 40 0 EGABRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(N(C)C)c1 ZINC000018202779 453647738 /nfs/dbraw/zinc/64/77/38/453647738.db2.gz JLESBFNMSZPKEG-UHFFFAOYSA-N 0 0 348.450 3.485 40 0 EGABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C(C)C)C1)N2 ZINC000019127214 453654527 /nfs/dbraw/zinc/65/45/27/453654527.db2.gz HLMJCJYNAQICAK-MELADBBJSA-N 0 0 340.418 3.077 40 0 EGABRN Cc1ccccc1C(=O)N1CC[C@H](c2nc(-c3ccccn3)no2)C1 ZINC000019236755 453655678 /nfs/dbraw/zinc/65/56/78/453655678.db2.gz KMRGRGVVWIITFU-AWEZNQCLSA-N 0 0 334.379 3.070 40 0 EGABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cc1 ZINC000021596440 453679130 /nfs/dbraw/zinc/67/91/30/453679130.db2.gz VKWHFHZEWYIUCY-UHFFFAOYSA-N 0 0 327.453 3.442 40 0 EGABRN C[C@H](NC(=O)/C(C#N)=C/c1ccccc1OCC#N)c1ccccc1 ZINC000022344735 453691368 /nfs/dbraw/zinc/69/13/68/453691368.db2.gz VQWCMSKOHHNQIE-VUODPORTSA-N 0 0 331.375 3.373 40 0 EGABRN O=C(NCc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000023131169 453705192 /nfs/dbraw/zinc/70/51/92/453705192.db2.gz JFPBFGDZDUTJGK-CYBMUJFWSA-N 0 0 346.789 3.148 40 0 EGABRN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000024618649 453739845 /nfs/dbraw/zinc/73/98/45/453739845.db2.gz YNEXAMJZTXQAKP-OAHLLOKOSA-N 0 0 345.464 3.209 40 0 EGABRN O=C(CCc1ccc(Cl)cc1)NC[C@H]1COc2ccccc2O1 ZINC000024615518 453740059 /nfs/dbraw/zinc/74/00/59/453740059.db2.gz LEFIMQLFYDSOIZ-HNNXBMFYSA-N 0 0 331.799 3.229 40 0 EGABRN Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000024996215 453754602 /nfs/dbraw/zinc/75/46/02/453754602.db2.gz BECMZUKRIXDIIP-MRXNPFEDSA-N 0 0 340.402 3.085 40 0 EGABRN Cc1cc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)[nH]1 ZINC000025146590 453760341 /nfs/dbraw/zinc/76/03/41/453760341.db2.gz KETDOFBGCUVJFL-UHFFFAOYSA-N 0 0 332.709 3.348 40 0 EGABRN O=C(Nc1cccc(Cn2ccnc2)c1)c1cc(-c2ccco2)on1 ZINC000025178434 453760866 /nfs/dbraw/zinc/76/08/66/453760866.db2.gz MCQAURNXYGJUCS-UHFFFAOYSA-N 0 0 334.335 3.432 40 0 EGABRN COc1ccc(NC(=O)Cn2ccccc2=O)cc1Cc1ccccc1 ZINC000025403852 453769619 /nfs/dbraw/zinc/76/96/19/453769619.db2.gz VLTWHAMQTAJMCJ-UHFFFAOYSA-N 0 0 348.402 3.086 40 0 EGABRN O=C(NCCNC(=O)c1ccccc1)c1cc2c(s1)CCCCC2 ZINC000025517033 453775539 /nfs/dbraw/zinc/77/55/39/453775539.db2.gz QFRLAAYYNNBMRL-UHFFFAOYSA-N 0 0 342.464 3.177 40 0 EGABRN O=C1C(=O)N(C2CCCCC2)C(=O)N1Cc1cccc2ccccc21 ZINC000027273503 453813916 /nfs/dbraw/zinc/81/39/16/453813916.db2.gz IRLIJDDKDOLALB-UHFFFAOYSA-N 0 0 336.391 3.463 40 0 EGABRN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(Cc2ccccc2)CC1 ZINC000028086555 453822163 /nfs/dbraw/zinc/82/21/63/453822163.db2.gz YDZOHHOCYABHST-UHFFFAOYSA-N 0 0 346.434 3.035 40 0 EGABRN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(N(C)C)nc1 ZINC000029193542 453827280 /nfs/dbraw/zinc/82/72/80/453827280.db2.gz CNUMKZCYWIPIBY-UHFFFAOYSA-N 0 0 336.395 3.292 40 0 EGABRN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Nc1cccc(C)c1 ZINC000029302877 453828142 /nfs/dbraw/zinc/82/81/42/453828142.db2.gz ZJBXPZVVVPRISF-ZDUSSCGKSA-N 0 0 341.411 3.401 40 0 EGABRN COc1ccc(CN(C)C(=O)c2cc(C)nc3onc(C)c32)cc1 ZINC000030554996 453836559 /nfs/dbraw/zinc/83/65/59/453836559.db2.gz KFFCCQLLENXNNF-UHFFFAOYSA-N 0 0 325.368 3.120 40 0 EGABRN Cc1ccc([C@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)cc1 ZINC000030855886 453839450 /nfs/dbraw/zinc/83/94/50/453839450.db2.gz UIBKJGBZIVUGMF-KRWDZBQOSA-N 0 0 338.451 3.318 40 0 EGABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccco1 ZINC000030853799 453839634 /nfs/dbraw/zinc/83/96/34/453839634.db2.gz WCNBYVJHIMJVSN-KRWDZBQOSA-N 0 0 349.452 3.495 40 0 EGABRN Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000030861283 453839940 /nfs/dbraw/zinc/83/99/40/453839940.db2.gz PGFROAOEPMHYKD-SFHVURJKSA-N 0 0 348.402 3.259 40 0 EGABRN O=C(Cc1ccc(F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000075245267 453873243 /nfs/dbraw/zinc/87/32/43/453873243.db2.gz UAVXTWGRFJIRJM-QPJJXVBHSA-N 0 0 338.426 3.226 40 0 EGABRN O=C(COc1c(Cl)cc(Cl)cc1Cl)NC[C@@H]1CCCO1 ZINC000032648065 453881030 /nfs/dbraw/zinc/88/10/30/453881030.db2.gz LIYMHLYFUFAVDM-VIFPVBQESA-N 0 0 338.618 3.321 40 0 EGABRN O=C(CCc1ccccc1)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000032930211 453897988 /nfs/dbraw/zinc/89/79/88/453897988.db2.gz QWHRWCGCNYDIKJ-FQEVSTJZSA-N 0 0 339.435 3.493 40 0 EGABRN Cc1cccc(C(=O)Nc2ccc(OC(=O)c3ccc(=O)[nH]c3)cc2)c1 ZINC000032988914 453899599 /nfs/dbraw/zinc/89/95/99/453899599.db2.gz CJFQIRYHWWEWDU-UHFFFAOYSA-N 0 0 348.358 3.155 40 0 EGABRN COC(=O)c1ccc(OC(=O)COc2cccc(C)c2C)c(OC)c1 ZINC000032994669 453900255 /nfs/dbraw/zinc/90/02/55/453900255.db2.gz NMPNTVNLCQWAEF-UHFFFAOYSA-N 0 0 344.363 3.083 40 0 EGABRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000081752326 453907215 /nfs/dbraw/zinc/90/72/15/453907215.db2.gz ZHYKILUDHYYVSL-VNRHNKLVSA-N 0 0 334.419 3.203 40 0 EGABRN Cc1cc2c(cnc3ncnn32)c(=O)n1-c1cc(Cl)ccc1Cl ZINC000038783985 453941711 /nfs/dbraw/zinc/94/17/11/453941711.db2.gz JEGAZRHLPYUFAB-UHFFFAOYSA-N 0 0 346.177 3.044 40 0 EGABRN COC(=O)c1cc2c(ccn([C@H]3CCC[C@@H](C)[C@@H]3C)c2=O)nc1C ZINC000038784156 453941838 /nfs/dbraw/zinc/94/18/38/453941838.db2.gz AZMYTAOSTFWGOB-PEBVRCNWSA-N 0 0 328.412 3.489 40 0 EGABRN COc1ccc(-c2nnc(NC(=O)C(Cl)(Cl)Cl)o2)cc1 ZINC000039753370 453945858 /nfs/dbraw/zinc/94/58/58/453945858.db2.gz XPWBMUXQQCQJHH-UHFFFAOYSA-N 0 0 336.562 3.054 40 0 EGABRN CC(C)(C)NC(=O)CC1(C(=O)NCCc2ccccc2F)CCCC1 ZINC000039983265 453946362 /nfs/dbraw/zinc/94/63/62/453946362.db2.gz YDJNZMIMBZDVKH-UHFFFAOYSA-N 0 0 348.462 3.350 40 0 EGABRN O=c1c(Br)c(Br)cnn1C1CCCCC1 ZINC000040928234 453954766 /nfs/dbraw/zinc/95/47/66/453954766.db2.gz KZDIRNHTYIQKRW-UHFFFAOYSA-N 0 0 336.027 3.274 40 0 EGABRN CCc1nc(C)cn1S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000041095523 453955378 /nfs/dbraw/zinc/95/53/78/453955378.db2.gz NFIPSJRQGNMRAH-UHFFFAOYSA-N 0 0 343.246 3.062 40 0 EGABRN CC[C@@H](C)c1noc(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000041122098 453957228 /nfs/dbraw/zinc/95/72/28/453957228.db2.gz FXHHLCOMHFZJFJ-CYBMUJFWSA-N 0 0 349.456 3.151 40 0 EGABRN Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1cccc3cccnc31)O2 ZINC000041548321 453971090 /nfs/dbraw/zinc/97/10/90/453971090.db2.gz IBHQUOAHVZQZNB-FQEVSTJZSA-N 0 0 347.374 3.272 40 0 EGABRN Cc1nnnn1-c1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC000041983809 453986926 /nfs/dbraw/zinc/98/69/26/453986926.db2.gz DYQZEPYSUIABME-UHFFFAOYSA-N 0 0 331.738 3.016 40 0 EGABRN CCOC(=O)C1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 ZINC000042142529 453996702 /nfs/dbraw/zinc/99/67/02/453996702.db2.gz FNTJUOVJDPHQMH-CQSZACIVSA-N 0 0 335.469 3.110 40 0 EGABRN NC(=O)c1ccc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000084839225 454011980 /nfs/dbraw/zinc/01/19/80/454011980.db2.gz IUXHAJHVNDXKRI-KSEUIEODSA-N 0 0 349.434 3.279 40 0 EGABRN Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccccc1OC(C)C ZINC000042646219 454018066 /nfs/dbraw/zinc/01/80/66/454018066.db2.gz FGBBLCHTTWKVGI-UHFFFAOYSA-N 0 0 344.386 3.176 40 0 EGABRN O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000042645840 454018126 /nfs/dbraw/zinc/01/81/26/454018126.db2.gz PCWDGWOECPUXCC-UHFFFAOYSA-N 0 0 341.169 3.387 40 0 EGABRN CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000042646628 454018145 /nfs/dbraw/zinc/01/81/45/454018145.db2.gz QHXHWMFZSDQLKD-UHFFFAOYSA-N 0 0 346.814 3.382 40 0 EGABRN Cn1nc(CNC(=O)c2ccc(Cl)s2)cc1-c1ccncc1 ZINC000085556224 454032879 /nfs/dbraw/zinc/03/28/79/454032879.db2.gz MUGWXTKHJQTXRF-UHFFFAOYSA-N 0 0 332.816 3.127 40 0 EGABRN O=C(NCCc1nc2ccccc2[nH]1)N[C@@H]1CCc2cc(F)ccc21 ZINC000056840529 454084377 /nfs/dbraw/zinc/08/43/77/454084377.db2.gz CIVMJOAFZKHMIS-OAHLLOKOSA-N 0 0 338.386 3.231 40 0 EGABRN O=C(CCc1ccc(F)cc1)NCc1nc(-c2ccccc2)no1 ZINC000043996203 454085368 /nfs/dbraw/zinc/08/53/68/454085368.db2.gz OOFKWGFHALNOIU-UHFFFAOYSA-N 0 0 325.343 3.125 40 0 EGABRN C[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000044055402 454087048 /nfs/dbraw/zinc/08/70/48/454087048.db2.gz YXMVBMQLAHQWMH-CYBMUJFWSA-N 0 0 327.453 3.436 40 0 EGABRN COC(=O)c1sccc1CNC1(c2ccc(F)cc2)CCOCC1 ZINC000088510478 454109600 /nfs/dbraw/zinc/10/96/00/454109600.db2.gz JFPCVCOPTYSNLR-UHFFFAOYSA-N 0 0 349.427 3.469 40 0 EGABRN 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342.472 3.051 40 0 EGABRN C[C@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1ccncc1 ZINC000078882895 454332071 /nfs/dbraw/zinc/33/20/71/454332071.db2.gz HXYWZULPWYFVBE-HNAYVOBHSA-N 0 0 337.423 3.013 40 0 EGABRN CC(C)c1cnc(SCC(=O)NCc2cccnc2)n1C(C)C ZINC000096416351 454332493 /nfs/dbraw/zinc/33/24/93/454332493.db2.gz OTOKCVRQOFNVAX-UHFFFAOYSA-N 0 0 332.473 3.391 40 0 EGABRN CC[C@](C)(NC(=O)c1cncc(Br)c1)c1nccs1 ZINC000096416671 454332617 /nfs/dbraw/zinc/33/26/17/454332617.db2.gz WVTZMUKNUYLNOS-ZDUSSCGKSA-N 0 0 340.246 3.356 40 0 EGABRN CN1C[C@H](NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC1=O ZINC000096415766 454332749 /nfs/dbraw/zinc/33/27/49/454332749.db2.gz SJWRTPLSDOMDEN-SECBINFHSA-N 0 0 349.740 3.101 40 0 EGABRN O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc(C2CC2)[nH]n1 ZINC000096417247 454333329 /nfs/dbraw/zinc/33/33/29/454333329.db2.gz PYVTWIJOYYKJBK-CYBMUJFWSA-N 0 0 344.390 3.269 40 0 EGABRN O=C(NC[C@H](O)c1ccsc1)Nc1cc(F)cc(N2CCCC2)c1 ZINC000096418037 454334253 /nfs/dbraw/zinc/33/42/53/454334253.db2.gz 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Cc1cccc2nc(C(=O)N3CCC[C@H]3CCc3ccncc3)cn21 ZINC000257311135 455889545 /nfs/dbraw/zinc/88/95/45/455889545.db2.gz UIDXDMJFCLPIJY-KRWDZBQOSA-N 0 0 334.423 3.275 40 0 EGABRN CCOc1cc(-c2cc(-c3cccc(O)c3)nn2CCO)ccc1O ZINC000257325243 455892253 /nfs/dbraw/zinc/89/22/53/455892253.db2.gz WSBGPGDRALPMMT-UHFFFAOYSA-N 0 0 340.379 3.019 40 0 EGABRN Fc1ccc(Nc2cccc([C@@H]3CN(CC4CC4)CCO3)n2)nc1 ZINC000257330316 455893020 /nfs/dbraw/zinc/89/30/20/455893020.db2.gz XNWAXOJMHSTZKD-INIZCTEOSA-N 0 0 328.391 3.143 40 0 EGABRN Cc1cc([C@H]2CN(CCCOc3ccccc3F)CCO2)nc(C)n1 ZINC000257331376 455893338 /nfs/dbraw/zinc/89/33/38/455893338.db2.gz XSPHFMZKDJUQGW-LJQANCHMSA-N 0 0 345.418 3.075 40 0 EGABRN Cc1cc([C@@H]2CN(CCCOc3ccccc3F)CCO2)nc(C)n1 ZINC000257331375 455893480 /nfs/dbraw/zinc/89/34/80/455893480.db2.gz XSPHFMZKDJUQGW-IBGZPJMESA-N 0 0 345.418 3.075 40 0 EGABRN CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccccc2F)nc1 ZINC000257336697 455894652 /nfs/dbraw/zinc/89/46/52/455894652.db2.gz YPQDJRNZNYWHOB-LJQANCHMSA-N 0 0 327.403 3.194 40 0 EGABRN Cc1ccc2c(CC(=O)N3CCC[C@@H](c4ccncn4)C3)coc2c1 ZINC000257343185 455895593 /nfs/dbraw/zinc/89/55/93/455895593.db2.gz ZRVIIQSAKLMMJG-OAHLLOKOSA-N 0 0 335.407 3.480 40 0 EGABRN CO[C@@H]1CC[C@H]2N(C(=O)CCCn3nc(C)cc3C)CC[C@@]2(C)C1 ZINC000257344099 455896728 /nfs/dbraw/zinc/89/67/28/455896728.db2.gz ZVTLSWGQZMGGHT-LMMKCTJWSA-N 0 0 333.476 3.086 40 0 EGABRN CC(C)N(C)C(=O)[C@H](C)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000195533384 455981638 /nfs/dbraw/zinc/98/16/38/455981638.db2.gz ONNNRIFYIKBKRE-NWDGAFQWSA-N 0 0 330.881 3.030 40 0 EGABRN O=C(Nc1ccc2nncn2c1)c1ccccc1NCc1ccco1 ZINC000195557874 455984620 /nfs/dbraw/zinc/98/46/20/455984620.db2.gz LHRQKMVEVOJPOS-UHFFFAOYSA-N 0 0 333.351 3.187 40 0 EGABRN NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000195568032 455985864 /nfs/dbraw/zinc/98/58/64/455985864.db2.gz RIFPNMRTEFFBRR-HNNXBMFYSA-N 0 0 338.329 3.320 40 0 EGABRN C[C@H](NC(=O)Nc1ccnn1CCc1ccccc1)c1ccccn1 ZINC000195569600 455986328 /nfs/dbraw/zinc/98/63/28/455986328.db2.gz KWSAXZIHJGSJMX-HNNXBMFYSA-N 0 0 335.411 3.404 40 0 EGABRN CC(C)c1cnc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)o1 ZINC000195572102 455987607 /nfs/dbraw/zinc/98/76/07/455987607.db2.gz IRZIEUSMBTYTSJ-GFCCVEGCSA-N 0 0 337.445 3.020 40 0 EGABRN COc1ccccc1CN(C)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000198292200 456003562 /nfs/dbraw/zinc/00/35/62/456003562.db2.gz ZRYGUSLSAZVQFU-UHFFFAOYSA-N 0 0 338.407 3.094 40 0 EGABRN O=C(N[C@@H]1CCN(c2nccs2)C1)c1ccc(Cl)cc1Cl ZINC000206814258 456018132 /nfs/dbraw/zinc/01/81/32/456018132.db2.gz HJAXVJFLMVSDET-SNVBAGLBSA-N 0 0 342.251 3.459 40 0 EGABRN CN(C(=O)CC1CCC2(CC1)OCCO2)c1ccc(F)c(F)c1 ZINC000188303190 456039378 /nfs/dbraw/zinc/03/93/78/456039378.db2.gz ZAQUSSXMOHBSNK-UHFFFAOYSA-N 0 0 325.355 3.251 40 0 EGABRN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)NC(C)C)C2)n1 ZINC000220826599 456041511 /nfs/dbraw/zinc/04/15/11/456041511.db2.gz MZAQEJWDSGLHRL-OAHLLOKOSA-N 0 0 342.443 3.418 40 0 EGABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222536664 456047514 /nfs/dbraw/zinc/04/75/14/456047514.db2.gz IYAIRJPRPYBPNX-CQSZACIVSA-N 0 0 344.842 3.046 40 0 EGABRN CCC(=O)N(Cc1cccc(OC)c1)[C@H](CC)C(=O)N[C@H](C)CC ZINC000222494773 456047683 /nfs/dbraw/zinc/04/76/83/456047683.db2.gz RNKGBFYXEWXGHE-RHSMWYFYSA-N 0 0 334.460 3.127 40 0 EGABRN COC(=O)c1cn(C(=O)COc2cccc(OC)c2)c2ccccc12 ZINC000222642140 456048076 /nfs/dbraw/zinc/04/80/76/456048076.db2.gz HTJROAVZXBYQJU-UHFFFAOYSA-N 0 0 339.347 3.156 40 0 EGABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CC ZINC000222978745 456052565 /nfs/dbraw/zinc/05/25/65/456052565.db2.gz OZQMLYMVGAGLIN-HNNXBMFYSA-N 0 0 334.460 3.129 40 0 EGABRN COc1ccc([C@H](C)NC(=O)COc2cccc3cccnc32)cc1 ZINC000223137114 456054249 /nfs/dbraw/zinc/05/42/49/456054249.db2.gz QEMNAKHMDYQSRD-AWEZNQCLSA-N 0 0 336.391 3.500 40 0 EGABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1Cc1ccccn1 ZINC000223520930 456058418 /nfs/dbraw/zinc/05/84/18/456058418.db2.gz IJVXNBJFQPBIIW-IAGOWNOFSA-N 0 0 336.420 3.242 40 0 EGABRN CCCC[C@H](CC)CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000223860685 456060973 /nfs/dbraw/zinc/06/09/73/456060973.db2.gz RKCYDDWIZHEYEE-AWEZNQCLSA-N 0 0 340.489 3.029 40 0 EGABRN O=C(COc1cccc2c1CCCC2)Nc1ccc2c(c1)OCO2 ZINC000223791233 456061272 /nfs/dbraw/zinc/06/12/72/456061272.db2.gz BFKVJEJOTIIJBK-UHFFFAOYSA-N 0 0 325.364 3.312 40 0 EGABRN CCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223920941 456062349 /nfs/dbraw/zinc/06/23/49/456062349.db2.gz HALBWVOVWZCBKQ-UHFFFAOYSA-N 0 0 332.425 3.017 40 0 EGABRN C[C@H]1CCCN(c2ccc(NC(=S)NCc3ccco3)cn2)C1 ZINC000223901989 456062411 /nfs/dbraw/zinc/06/24/11/456062411.db2.gz QTYCFOZHGAGDDR-ZDUSSCGKSA-N 0 0 330.457 3.398 40 0 EGABRN COc1ccc(O[C@@H](C)C(=O)NCCOc2cc(C)ccc2C)cc1 ZINC000224011637 456062708 /nfs/dbraw/zinc/06/27/08/456062708.db2.gz PWLNQAMBLVXLRK-INIZCTEOSA-N 0 0 343.423 3.275 40 0 EGABRN Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000224010716 456063313 /nfs/dbraw/zinc/06/33/13/456063313.db2.gz DYUJSPXNQRRHJL-OAHLLOKOSA-N 0 0 331.387 3.405 40 0 EGABRN Cc1ccc(NC(=O)NCc2nccc(N3CCCCC3)n2)c(C)c1 ZINC000224163525 456064192 /nfs/dbraw/zinc/06/41/92/456064192.db2.gz PEKSXCHFBDFJRY-UHFFFAOYSA-N 0 0 339.443 3.405 40 0 EGABRN CN(C)c1ccnc(CNC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000224192998 456064220 /nfs/dbraw/zinc/06/42/20/456064220.db2.gz FJCVZRAZRVKUHS-UHFFFAOYSA-N 0 0 332.407 3.140 40 0 EGABRN O=C(NCc1ccnc(N2CCCC2)n1)Nc1cccc(Cl)c1 ZINC000224200033 456065796 /nfs/dbraw/zinc/06/57/96/456065796.db2.gz NYIVEJGEMMUMSB-UHFFFAOYSA-N 0 0 331.807 3.052 40 0 EGABRN CC[C@H](Oc1ccccc1C)C(=O)NCCOc1cccc(OC)c1 ZINC000224434721 456066788 /nfs/dbraw/zinc/06/67/88/456066788.db2.gz PBHAAWMVSNOIDK-SFHVURJKSA-N 0 0 343.423 3.356 40 0 EGABRN CCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2OC)cc1 ZINC000224601142 456067789 /nfs/dbraw/zinc/06/77/89/456067789.db2.gz PCPFTOLCBUBAGR-OAHLLOKOSA-N 0 0 343.423 3.220 40 0 EGABRN CC[C@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccccc1OC ZINC000224619574 456068665 /nfs/dbraw/zinc/06/86/65/456068665.db2.gz KMOMJWARTMUCSK-KRWDZBQOSA-N 0 0 343.423 3.356 40 0 EGABRN Cc1csc([C@@H](C)NC(=O)NC[C@@](C)(O)C2CCCCC2)n1 ZINC000188485330 456070769 /nfs/dbraw/zinc/07/07/69/456070769.db2.gz UMDXNSQHKXZAAX-MLGOLLRUSA-N 0 0 325.478 3.143 40 0 EGABRN Cn1c(=O)sc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000225046570 456072165 /nfs/dbraw/zinc/07/21/65/456072165.db2.gz ATYXKEWURLRBAS-UHFFFAOYSA-N 0 0 348.811 3.271 40 0 EGABRN CN(c1ccccc1Br)S(=O)(=O)c1cccs1 ZINC000225127084 456073147 /nfs/dbraw/zinc/07/31/47/456073147.db2.gz ZHPFYSSMWRMACH-UHFFFAOYSA-N 0 0 332.244 3.336 40 0 EGABRN O=C(COc1ccc2c(c1)CCCC2)NCCOCc1ccccc1 ZINC000225144286 456073826 /nfs/dbraw/zinc/07/38/26/456073826.db2.gz DRALJYBGKXJICW-UHFFFAOYSA-N 0 0 339.435 3.277 40 0 EGABRN CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2cccs2)c1 ZINC000225141358 456074655 /nfs/dbraw/zinc/07/46/55/456074655.db2.gz BXJFKXCLMDKJRF-UHFFFAOYSA-N 0 0 339.438 3.058 40 0 EGABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)c(C)c1C ZINC000225312832 456076298 /nfs/dbraw/zinc/07/62/98/456076298.db2.gz QNSGDJFCCZWMJZ-UHFFFAOYSA-N 0 0 333.453 3.441 40 0 EGABRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2nc(C)c(C)s2)c1 ZINC000188529295 456078371 /nfs/dbraw/zinc/07/83/71/456078371.db2.gz MOGUVKRDTQBOLE-HIFRSBDPSA-N 0 0 346.452 3.197 40 0 EGABRN CCCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)N[C@H](C)CC ZINC000225379193 456078748 /nfs/dbraw/zinc/07/87/48/456078748.db2.gz ZRVYPNSJNPTOHE-HUUCEWRRSA-N 0 0 334.460 3.127 40 0 EGABRN COc1ccc(NC(=S)NCCSC2CCCCC2)cn1 ZINC000225359540 456078910 /nfs/dbraw/zinc/07/89/10/456078910.db2.gz QBWBXAJWHSWGBH-UHFFFAOYSA-N 0 0 325.503 3.443 40 0 EGABRN O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1cnc3ccccc3c1)C2 ZINC000225479610 456085490 /nfs/dbraw/zinc/08/54/90/456085490.db2.gz IDMCYFACPOEPFK-LPHOPBHVSA-N 0 0 345.402 3.209 40 0 biogenic,in-vitro EGABRN COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000225464489 456085998 /nfs/dbraw/zinc/08/59/98/456085998.db2.gz NTGSLARAYKNZFG-KGLIPLIRSA-N 0 0 329.396 3.349 40 0 EGABRN Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000225484373 456087440 /nfs/dbraw/zinc/08/74/40/456087440.db2.gz YIOZXZPONUSUSC-HNNXBMFYSA-N 0 0 341.411 3.293 40 0 EGABRN COC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000225625850 456098085 /nfs/dbraw/zinc/09/80/85/456098085.db2.gz LKNGFLBMMQICKE-UHFFFAOYSA-N 0 0 346.471 3.449 40 0 EGABRN O=S(=O)(c1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccc(F)cc2)[C@H]1CO ZINC000225667250 456102599 /nfs/dbraw/zinc/10/25/99/456102599.db2.gz KLYFHQWGAFBPKD-PMPSAXMXSA-N 0 0 340.803 3.027 40 0 EGABRN Cc1c([C@@H](C)NC(=O)C(C)(C)COCc2ccccc2)cnn1C ZINC000225695019 456104220 /nfs/dbraw/zinc/10/42/20/456104220.db2.gz YKJBKYSHGAAURF-CQSZACIVSA-N 0 0 329.444 3.149 40 0 EGABRN COc1cccc(OC)c1CCC(=O)N1CCOc2ccccc21 ZINC000225993198 456106716 /nfs/dbraw/zinc/10/67/16/456106716.db2.gz AHGTVCOMSFYGRO-UHFFFAOYSA-N 0 0 327.380 3.062 40 0 EGABRN Cc1ccc(Cc2nnc(SCc3ccccc3F)n2N)cc1 ZINC000226299581 456108721 /nfs/dbraw/zinc/10/87/21/456108721.db2.gz SBCXTNCVGBOUEK-UHFFFAOYSA-N 0 0 328.416 3.323 40 0 EGABRN O=C1[C@H](Sc2ncccn2)CCCN1Cc1ccc(F)cc1F ZINC000188735234 456123754 /nfs/dbraw/zinc/12/37/54/456123754.db2.gz FZOABDZPIOWXIW-CQSZACIVSA-N 0 0 335.379 3.038 40 0 EGABRN Cc1cnc(C2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)s1 ZINC000333429471 456216487 /nfs/dbraw/zinc/21/64/87/456216487.db2.gz NIAFSEGEHBLGTK-UHFFFAOYSA-N 0 0 330.457 3.004 40 0 EGABRN CN(C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1nncs1 ZINC000189140096 456237742 /nfs/dbraw/zinc/23/77/42/456237742.db2.gz QZURXCIBILBIQE-UHFFFAOYSA-N 0 0 327.331 3.252 40 0 EGABRN CC1(C)[C@H](c2ccccc2)CCN1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000333785969 456262338 /nfs/dbraw/zinc/26/23/38/456262338.db2.gz VINKTWGAAXKIPX-HOTGVXAUSA-N 0 0 338.455 3.245 40 0 EGABRN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000281642498 456279983 /nfs/dbraw/zinc/27/99/83/456279983.db2.gz WCSSYFYDAVJTQQ-ZOBUZTSGSA-N 0 0 342.418 3.384 40 0 EGABRN Cc1occc1C(=O)N1CCn2c(-c3cccc(F)c3)cnc2C1 ZINC000306145087 456569300 /nfs/dbraw/zinc/56/93/00/456569300.db2.gz ZXONDNZPERIOQO-UHFFFAOYSA-N 0 0 325.343 3.247 40 0 EGABRN 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454282265 /nfs/dbraw/zinc/28/22/65/454282265.db2.gz SOILCOJVDCNCDY-UHFFFAOYSA-N 0 0 342.443 3.422 40 0 EGABRN Cn1nc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1C1CC1 ZINC000096099336 454282359 /nfs/dbraw/zinc/28/23/59/454282359.db2.gz KHQQVZXFCYGJOS-UHFFFAOYSA-N 0 0 347.846 3.425 40 0 EGABRN COC[C@@H]1COCCC12CCN(C(=O)c1cc3ccccc3o1)CC2 ZINC000096106360 454284269 /nfs/dbraw/zinc/28/42/69/454284269.db2.gz HRNQHMIYVVNULK-MRXNPFEDSA-N 0 0 343.423 3.338 40 0 EGABRN O=C(c1cc(F)c(F)cc1Br)N1CCCC[C@H]1CCO ZINC000090165808 454288090 /nfs/dbraw/zinc/28/80/90/454288090.db2.gz QELVNIKEIDTJPM-VIFPVBQESA-N 0 0 348.187 3.104 40 0 EGABRN COc1ccc(C[C@H]2CN(C(=O)c3cccs3)CC[C@H]2OC)cc1 ZINC000096110253 454285401 /nfs/dbraw/zinc/28/54/01/454285401.db2.gz AFLGSTOWWDSWNA-DOTOQJQBSA-N 0 0 345.464 3.477 40 0 EGABRN Cc1nc(COC[C@@]23CCC[C@@H]2CN(c2ncccn2)C3)cs1 ZINC000096109273 454285926 /nfs/dbraw/zinc/28/59/26/454285926.db2.gz HAUMQGQPLAVUMI-PBHICJAKSA-N 0 0 330.457 3.065 40 0 EGABRN O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)[C@H]1CC=CCC1 ZINC000096121673 454288422 /nfs/dbraw/zinc/28/84/22/454288422.db2.gz QOSLPUVGYMHVFW-KRWDZBQOSA-N 0 0 336.439 3.295 40 0 EGABRN CC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072376786 454294608 /nfs/dbraw/zinc/29/46/08/454294608.db2.gz CCLRHCPPKZLLPC-HNNXBMFYSA-N 0 0 330.819 3.453 40 0 EGABRN CCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn32)n1 ZINC000096155356 454294722 /nfs/dbraw/zinc/29/47/22/454294722.db2.gz JRYCVMSANGYGMH-UHFFFAOYSA-N 0 0 345.406 3.327 40 0 EGABRN C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000078674922 454296567 /nfs/dbraw/zinc/29/65/67/454296567.db2.gz LYIAOKZTIRVFKP-MLGOLLRUSA-N 0 0 348.834 3.455 40 0 EGABRN c1csc(CN2Cc3nccn3C[C@@H](COc3cccnc3)C2)c1 ZINC000096187945 454299051 /nfs/dbraw/zinc/29/90/51/454299051.db2.gz JSGVLUJAUPNZBY-HNNXBMFYSA-N 0 0 340.452 3.051 40 0 EGABRN Cc1nnc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)s1 ZINC000096192841 454300830 /nfs/dbraw/zinc/30/08/30/454300830.db2.gz HVHGPGFRXHIKDF-AWEZNQCLSA-N 0 0 336.804 3.022 40 0 EGABRN CCOC[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cn(C)nc21 ZINC000096197997 454301619 /nfs/dbraw/zinc/30/16/19/454301619.db2.gz NSQGSUSXJZKHGQ-AWEZNQCLSA-N 0 0 337.826 3.349 40 0 EGABRN CC(=O)N1CC[C@@H](OCc2cccnc2)[C@@H](Cc2cccc(C)c2)C1 ZINC000096217283 454306656 /nfs/dbraw/zinc/30/66/56/454306656.db2.gz XRQKONQIINNBFS-LEWJYISDSA-N 0 0 338.451 3.386 40 0 EGABRN c1csc(CN2CCO[C@@]3(CCCN(c4ccccn4)C3)C2)c1 ZINC000096226372 454308502 /nfs/dbraw/zinc/30/85/02/454308502.db2.gz UTJPCEZKOSTZEA-SFHVURJKSA-N 0 0 329.469 3.015 40 0 EGABRN Cc1ccc(Cn2nccc2NC(=O)c2ccc3nccn3c2)s1 ZINC000078775172 454317011 /nfs/dbraw/zinc/31/70/11/454317011.db2.gz WQTUWWPRSCTLHO-UHFFFAOYSA-N 0 0 337.408 3.201 40 0 EGABRN CCOc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000096308978 454318414 /nfs/dbraw/zinc/31/84/14/454318414.db2.gz WLECKEDPHQKFTK-OAHLLOKOSA-N 0 0 344.798 3.483 40 0 EGABRN CC(C)c1nc(C[S@](=O)[C@H](C)C(=O)N2CCCCCC2)cs1 ZINC000096402807 454322185 /nfs/dbraw/zinc/32/21/85/454322185.db2.gz 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O=C(/C=C/c1cscn1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000096412600 454330628 /nfs/dbraw/zinc/33/06/28/454330628.db2.gz AKPHVFAHPBTZMI-DUMMIQTOSA-N 0 0 346.427 3.268 40 0 EGABRN COCCN(Cc1ccccn1)C(=O)c1coc(-c2ccccc2)n1 ZINC000096414313 454331266 /nfs/dbraw/zinc/33/12/66/454331266.db2.gz LJBCNTPEUQIXDM-UHFFFAOYSA-N 0 0 337.379 3.025 40 0 EGABRN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)NC(=O)c2ccoc2)o1 ZINC000096414741 454331536 /nfs/dbraw/zinc/33/15/36/454331536.db2.gz WUGOTUAHSPMFRI-HOCLYGCPSA-N 0 0 344.411 3.443 40 0 EGABRN CC(C)c1cnc(S[C@H](C)C(=O)Nc2ncccn2)n1C(C)C ZINC000096416341 454332755 /nfs/dbraw/zinc/33/27/55/454332755.db2.gz ADNRCNJYDQMOMN-GFCCVEGCSA-N 0 0 333.461 3.497 40 0 EGABRN CC[C@H](COC)NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000096416011 454332804 /nfs/dbraw/zinc/33/28/04/454332804.db2.gz FBNUJGLQUQXVLL-FATZIPQQSA-N 0 0 340.489 3.280 40 0 EGABRN CC[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)c1cc(F)ccc1F ZINC000096419076 454334374 /nfs/dbraw/zinc/33/43/74/454334374.db2.gz VVGDRDMZCGGXJF-GOSISDBHSA-N 0 0 346.377 3.482 40 0 EGABRN COc1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)c1 ZINC000047157202 454335501 /nfs/dbraw/zinc/33/55/01/454335501.db2.gz LVUJYQXAIRTMCL-NSHDSACASA-N 0 0 325.368 3.073 40 0 EGABRN COc1ccc(NC(=O)C(=O)NC[C@@H](C)c2cccc(C)c2)cc1F ZINC000096422101 454336624 /nfs/dbraw/zinc/33/66/24/454336624.db2.gz DGUSDQJAMDCSPR-CYBMUJFWSA-N 0 0 344.386 3.001 40 0 EGABRN CC1(C)[C@H](NC(=O)Nc2ccnn2C2CCCCC2)[C@H]2CCO[C@@H]21 ZINC000096421908 454336662 /nfs/dbraw/zinc/33/66/62/454336662.db2.gz MTCOFHMQOVGVME-BMFZPTHFSA-N 0 0 332.448 3.323 40 0 EGABRN CC1(C)[C@H](NC(=O)Nc2ccc(N3CCCC3)c(F)c2)[C@@H]2CCO[C@@H]21 ZINC000096421864 454336675 /nfs/dbraw/zinc/33/66/75/454336675.db2.gz YSSQJFOWDOBXEN-XKQJLSEDSA-N 0 0 347.434 3.361 40 0 EGABRN O=C(CCn1cncn1)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000078915134 454336984 /nfs/dbraw/zinc/33/69/84/454336984.db2.gz RJMFHUJTBKMGLV-UHFFFAOYSA-N 0 0 342.349 3.180 40 0 EGABRN O=C([C@H]1COc2ccccc21)N1CC[C@H](COCc2ccccc2)C1 ZINC000096426026 454339515 /nfs/dbraw/zinc/33/95/15/454339515.db2.gz AKXSPTAEFRTJES-HKUYNNGSSA-N 0 0 337.419 3.228 40 0 EGABRN CCC(CC)c1cc(CNC(=O)c2cnc3n[nH]c(C)c3c2)on1 ZINC000096426603 454339613 /nfs/dbraw/zinc/33/96/13/454339613.db2.gz PGIVRJWBKUEDDC-UHFFFAOYSA-N 0 0 327.388 3.088 40 0 EGABRN CCc1c(Cl)nc(C)nc1NC1CCN(C(=O)c2ccco2)CC1 ZINC000096429118 454341708 /nfs/dbraw/zinc/34/17/08/454341708.db2.gz ZTIXAKHKFSGVHX-UHFFFAOYSA-N 0 0 348.834 3.311 40 0 EGABRN Cc1noc(C)c1CC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000096431538 454342435 /nfs/dbraw/zinc/34/24/35/454342435.db2.gz PBOHPBPVNRZZFS-LBPRGKRZSA-N 0 0 341.194 3.391 40 0 EGABRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(C)[nH]c2=O)o1 ZINC000096433260 454344497 /nfs/dbraw/zinc/34/44/97/454344497.db2.gz AVKOYCNLXOSLMY-LRDDRELGSA-N 0 0 328.412 3.452 40 0 EGABRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(C)[nH]c2=O)o1 ZINC000096433261 454344545 /nfs/dbraw/zinc/34/45/45/454344545.db2.gz AVKOYCNLXOSLMY-BLLLJJGKSA-N 0 0 328.412 3.452 40 0 EGABRN Cc1c(NC(=O)NC[C@@H]2CCC[C@H]2O)cccc1OCC(F)(F)F ZINC000096434584 454345553 /nfs/dbraw/zinc/34/55/53/454345553.db2.gz CEBGGJZWNCENAB-WCQYABFASA-N 0 0 346.349 3.219 40 0 EGABRN CC[C@@H]1CN(C(=O)Nc2cccc(-c3nccn3C)c2)CCS1 ZINC000096434634 454345600 /nfs/dbraw/zinc/34/56/00/454345600.db2.gz YBFMSGHWDRVRLS-OAHLLOKOSA-N 0 0 330.457 3.446 40 0 EGABRN C[C@@H](C1CC1)N(C(=O)Nc1cccc(CS(C)(=O)=O)c1)C1CC1 ZINC000096434355 454345621 /nfs/dbraw/zinc/34/56/21/454345621.db2.gz WTFFYNRDPSBPNA-LBPRGKRZSA-N 0 0 336.457 3.026 40 0 EGABRN Cc1noc(C)c1NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000096434399 454345647 /nfs/dbraw/zinc/34/56/47/454345647.db2.gz UGZDGSYJDNFSIG-LLVKDONJSA-N 0 0 325.372 3.360 40 0 EGABRN CN(Cc1cccs1)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000096435909 454347280 /nfs/dbraw/zinc/34/72/80/454347280.db2.gz KKZXIGHTKCSQPO-OLZOCXBDSA-N 0 0 338.473 3.400 40 0 EGABRN Cc1ccc(O)c(NC(=O)CCN2C(=O)CCc3cc(F)ccc32)c1 ZINC000096436198 454348016 /nfs/dbraw/zinc/34/80/16/454348016.db2.gz GWJXGCJAFBBDRT-UHFFFAOYSA-N 0 0 342.370 3.148 40 0 EGABRN CC(C)[C@H](NC(=O)N1C[C@@H]2CC=CC[C@@H]2C1)c1nnc2ccccn21 ZINC000096439702 454349413 /nfs/dbraw/zinc/34/94/13/454349413.db2.gz KYFMHDJLRBXBQI-UXLLHSPISA-N 0 0 339.443 3.034 40 0 EGABRN C[C@H](C(=O)NCc1cc(Cl)ccc1OC(F)F)n1cccn1 ZINC000096443967 454351817 /nfs/dbraw/zinc/35/18/17/454351817.db2.gz QUOHJMKISXMYMF-SECBINFHSA-N 0 0 329.734 3.015 40 0 EGABRN CCOc1ncc(C(=O)N2c3ccnn3[C@H](C)C[C@@H]2C)cc1Cl ZINC000078996211 454352318 /nfs/dbraw/zinc/35/23/18/454352318.db2.gz YBXFYKOGYKDHSZ-WDEREUQCSA-N 0 0 334.807 3.330 40 0 EGABRN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Br)c1cccnc1 ZINC000078998538 454352471 /nfs/dbraw/zinc/35/24/71/454352471.db2.gz QTQKGAKIHVUJAA-NEPJUHHUSA-N 0 0 349.228 3.489 40 0 EGABRN Cc1nn(C)c(C)c1[C@H](C)NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000078996819 454352688 /nfs/dbraw/zinc/35/26/88/454352688.db2.gz CFTXWQKDYXLZIZ-LBPRGKRZSA-N 0 0 329.419 3.475 40 0 EGABRN C[S@](=O)Cc1ccc(Cl)c(NCC(=O)N2CCCCCC2)c1 ZINC000096446943 454353955 /nfs/dbraw/zinc/35/39/55/454353955.db2.gz HIHDJSQDEPJDAO-JOCHJYFZSA-N 0 0 342.892 3.033 40 0 EGABRN CC[C@H](c1nnc(NC(=O)NCc2ccon2)s1)c1ccccc1 ZINC000096447161 454354041 /nfs/dbraw/zinc/35/40/41/454354041.db2.gz RALBFJDOXVPSJL-ZDUSSCGKSA-N 0 0 343.412 3.390 40 0 EGABRN CCNC(=O)c1ccc(NC(=O)Nc2cnn(CC(C)C)c2)c(C)c1 ZINC000096446401 454354207 /nfs/dbraw/zinc/35/42/07/454354207.db2.gz PVRJYBVBLFEZPM-UHFFFAOYSA-N 0 0 343.431 3.241 40 0 EGABRN Cc1ncsc1C(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000096449147 454355278 /nfs/dbraw/zinc/35/52/78/454355278.db2.gz IKNUKYNMFATARV-JVXZTZIISA-N 0 0 328.796 3.096 40 0 EGABRN CC[C@H](Oc1ccccc1C)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000096454285 454357225 /nfs/dbraw/zinc/35/72/25/454357225.db2.gz HRTOAGSJPVZHBP-HOTGVXAUSA-N 0 0 327.428 3.282 40 0 EGABRN CC(C)[C@H]1OCC[C@@H]1CNC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000096454522 454357359 /nfs/dbraw/zinc/35/73/59/454357359.db2.gz QPXOVTBJDDUWDU-CRAIPNDOSA-N 0 0 349.446 3.051 40 0 EGABRN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C/C=C/c2cccc(F)c2)C1 ZINC000096454357 454357482 /nfs/dbraw/zinc/35/74/82/454357482.db2.gz FJFXNNUPJACLBQ-NQMAARMTSA-N 0 0 346.446 3.429 40 0 EGABRN COc1ccc([C@H](C)NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)cc1F ZINC000096454994 454357770 /nfs/dbraw/zinc/35/77/70/454357770.db2.gz JWTJZKHFRVJQED-DXCKQFNASA-N 0 0 338.423 3.256 40 0 EGABRN O=c1[nH]ncc(NCCCO[C@H]2CCCc3ccccc32)c1Cl ZINC000096456212 454358327 /nfs/dbraw/zinc/35/83/27/454358327.db2.gz HIFBGCXFNBSHLN-HNNXBMFYSA-N 0 0 333.819 3.320 40 0 EGABRN O=C(NCc1nccn1CCc1ccccc1)[C@@H]1C[C@H]1c1ccco1 ZINC000096459358 454358447 /nfs/dbraw/zinc/35/84/47/454358447.db2.gz JHFIILUQWSRPPO-IAGOWNOFSA-N 0 0 335.407 3.139 40 0 EGABRN Cc1noc([C@@H](OC(=O)c2cc(C(C)C)n(C)n2)c2ccccc2)n1 ZINC000096456532 454358652 /nfs/dbraw/zinc/35/86/52/454358652.db2.gz GOGBCKUJKOYCFT-INIZCTEOSA-N 0 0 340.383 3.181 40 0 EGABRN CC(C)c1nc(CNc2cccc(C(=O)N3CCOCC3)c2)cs1 ZINC000096461378 454359147 /nfs/dbraw/zinc/35/91/47/454359147.db2.gz JKEJBBDZKBUMLM-UHFFFAOYSA-N 0 0 345.468 3.351 40 0 EGABRN COc1ccc(CCCC(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1F ZINC000096460677 454359370 /nfs/dbraw/zinc/35/93/70/454359370.db2.gz BSGYTIUKQMWWRV-UHFFFAOYSA-N 0 0 344.342 3.230 40 0 EGABRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)c1ccco1 ZINC000079043562 454359724 /nfs/dbraw/zinc/35/97/24/454359724.db2.gz ZFZXRDRGOANLIF-RYUDHWBXSA-N 0 0 334.803 3.271 40 0 EGABRN CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2csc(N(C)C)n2)C1 ZINC000096465869 454360693 /nfs/dbraw/zinc/36/06/93/454360693.db2.gz FTHZSTGSRZELGS-OLZOCXBDSA-N 0 0 342.534 3.025 40 0 EGABRN CCn1ccnc(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1=O ZINC000091011216 454361051 /nfs/dbraw/zinc/36/10/51/454361051.db2.gz DTYFVMDNYGAMQC-UHFFFAOYSA-N 0 0 340.402 3.268 40 0 EGABRN COc1cccc([C@H](O)CNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000096475345 454362826 /nfs/dbraw/zinc/36/28/26/454362826.db2.gz BJONMAYFURYQSW-SOUVJXGZSA-N 0 0 345.361 3.214 40 0 EGABRN CC[C@H](CO)NC(=O)Cc1ccc(NCc2cccc(C)c2C)cc1 ZINC000096482911 454364696 /nfs/dbraw/zinc/36/46/96/454364696.db2.gz WBYBINUINOAAGW-LJQANCHMSA-N 0 0 340.467 3.345 40 0 EGABRN Cc1ccc(CNc2cccc(C(=O)N3CCC[C@H](O)C3)c2)s1 ZINC000096482840 454364776 /nfs/dbraw/zinc/36/47/76/454364776.db2.gz IKNIKXUNDNNFSN-INIZCTEOSA-N 0 0 330.453 3.266 40 0 EGABRN CSc1cccc([C@H](N[C@H]2CCNC2=O)c2ccc(F)cc2F)c1 ZINC000096482614 454364903 /nfs/dbraw/zinc/36/49/03/454364903.db2.gz CTSFUBFUTVQLIS-IRXDYDNUSA-N 0 0 348.418 3.254 40 0 EGABRN Cc1cnc([C@@H](C)NC(=O)N2CCOC[C@H]2c2ccccc2)s1 ZINC000079080960 454365214 /nfs/dbraw/zinc/36/52/14/454365214.db2.gz WJYVNMSIVQSYBC-HIFRSBDPSA-N 0 0 331.441 3.296 40 0 EGABRN COC1CCC(N(C)S(=O)(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000096482431 454365391 /nfs/dbraw/zinc/36/53/91/454365391.db2.gz BOOBUMLUQUXTCO-ODIFPOPNSA-N 0 0 325.474 3.009 40 0 EGABRN C[C@H](O)[C@H]1CCCN(C(=O)NCc2cccc(OC3CCCC3)c2)C1 ZINC000096483258 454365522 /nfs/dbraw/zinc/36/55/22/454365522.db2.gz GADXKUUTSPIERD-RDJZCZTQSA-N 0 0 346.471 3.310 40 0 EGABRN CCOC(=O)N1CCC(N[C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000096494317 454371078 /nfs/dbraw/zinc/37/10/78/454371078.db2.gz VEQGTWNNNURFEI-CYBMUJFWSA-N 0 0 344.415 3.008 40 0 EGABRN O=C(CC1CCC(C(F)(F)F)CC1)N1CCC(C2OCCO2)CC1 ZINC000096501687 454372358 /nfs/dbraw/zinc/37/23/58/454372358.db2.gz MOVFAWCAOLALIV-UHFFFAOYSA-N 0 0 349.393 3.357 40 0 EGABRN C[C@H](C[S@](C)=O)NC(=O)NCC1(c2cccs2)CCCCC1 ZINC000096502189 454372563 /nfs/dbraw/zinc/37/25/63/454372563.db2.gz DCSQYGJLUXHHJE-MCMMXHMISA-N 0 0 342.530 3.016 40 0 EGABRN CC[C@@](Cl)(C(=O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000096518383 454374160 /nfs/dbraw/zinc/37/41/60/454374160.db2.gz VTJXRQAAQWGLED-NSHDSACASA-N 0 0 339.638 3.022 40 0 EGABRN CO[C@H](C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1)c1ccccc1 ZINC000062517107 454379800 /nfs/dbraw/zinc/37/98/00/454379800.db2.gz FITZSDRPLJORKO-SNRMKQJTSA-N 0 0 325.408 3.363 40 0 EGABRN COC(=O)c1cccc(COC(=O)[C@H]2C[C@H]2c2ccccc2F)c1 ZINC000096996151 454385480 /nfs/dbraw/zinc/38/54/80/454385480.db2.gz 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334.423 3.361 40 0 EGABRN Cc1cc2nccc([C@]3(C)CCCN3C(=O)Cc3cccs3)n2n1 ZINC000257315606 455889149 /nfs/dbraw/zinc/88/91/49/455889149.db2.gz VCCXEBFTANZUMU-SFHVURJKSA-N 0 0 340.452 3.180 40 0 EGABRN Cc1ncoc1C(=O)N1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257320249 455890084 /nfs/dbraw/zinc/89/00/84/455890084.db2.gz VVXTUBJVJWHKPE-AWEZNQCLSA-N 0 0 340.379 3.061 40 0 EGABRN O=C(COc1ccc(F)cc1)N1CCC(Cc2ccncc2)CC1 ZINC000257318362 455890398 /nfs/dbraw/zinc/89/03/98/455890398.db2.gz VNOWOVJIIMHWCD-UHFFFAOYSA-N 0 0 328.387 3.081 40 0 EGABRN CC1(c2nccs2)CC[NH+](Cc2ccccc2OCC(=O)[O-])CC1 ZINC000257326649 455891719 /nfs/dbraw/zinc/89/17/19/455891719.db2.gz WYBLPIUIYSBRSZ-UHFFFAOYSA-N 0 0 346.452 3.160 40 0 EGABRN Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2ccncc2)n1 ZINC000257323975 455892351 /nfs/dbraw/zinc/89/23/51/455892351.db2.gz WMQLJOBMEHRDRS-KRWDZBQOSA-N 0 0 335.411 3.481 40 0 EGABRN CC(=O)NCc1cccc([C@@H]2CCCN2Cc2cccc(F)c2F)n1 ZINC000257328016 455892980 /nfs/dbraw/zinc/89/29/80/455892980.db2.gz XDTXZRAZXAFSEI-SFHVURJKSA-N 0 0 345.393 3.333 40 0 EGABRN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H]1CCc1ccncc1 ZINC000257328020 455893472 /nfs/dbraw/zinc/89/34/72/455893472.db2.gz XDUCUYHDVAQUMO-KRWDZBQOSA-N 0 0 338.407 3.090 40 0 EGABRN Cc1cc(C)n(CCCC(=O)N2CCC[C@H](c3nccs3)C2)n1 ZINC000257328658 455893505 /nfs/dbraw/zinc/89/35/05/455893505.db2.gz XGPFTUQIBUZDRO-HNNXBMFYSA-N 0 0 332.473 3.143 40 0 EGABRN O=C(CC1CCCC1)N1CCC[C@@H]1c1cnc(-c2ncc[nH]2)cn1 ZINC000257339038 455895488 /nfs/dbraw/zinc/89/54/88/455895488.db2.gz YZXUOFLICFOREH-MRXNPFEDSA-N 0 0 325.416 3.111 40 0 EGABRN CCc1ccc(-c2nnc3nc(-c4ccc(OC)cc4)cnn32)cc1 ZINC000261365955 455900031 /nfs/dbraw/zinc/90/00/31/455900031.db2.gz WNKVEJSVQSGZLH-UHFFFAOYSA-N 0 0 331.379 3.424 40 0 EGABRN Cc1ccc(CC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cn1 ZINC000194928649 455902002 /nfs/dbraw/zinc/90/20/02/455902002.db2.gz USRUSNRWNVHKOY-UHFFFAOYSA-N 0 0 340.398 3.193 40 0 EGABRN C[C@@H](Sc1nc(-c2ccccc2)co1)c1nc(N)nc(N(C)C)n1 ZINC000195109465 455922496 /nfs/dbraw/zinc/92/24/96/455922496.db2.gz GQARUFTVGAMJPC-SNVBAGLBSA-N 0 0 342.428 3.028 40 0 EGABRN C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000261703554 455930885 /nfs/dbraw/zinc/93/08/85/455930885.db2.gz KHJODUOPQTVFKD-WFASDCNBSA-N 0 0 330.815 3.024 40 0 EGABRN O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000195539005 455981591 /nfs/dbraw/zinc/98/15/91/455981591.db2.gz LQDYXUFLKHCOPH-KURKYZTESA-N 0 0 326.371 3.004 40 0 EGABRN c1cn(C2CCCC2)nc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000195540445 455981925 /nfs/dbraw/zinc/98/19/25/455981925.db2.gz FBDWJMWWAUZVAC-UHFFFAOYSA-N 0 0 348.454 3.273 40 0 EGABRN C[C@@]1(CO)CCC[C@@H]1NC(=O)c1cc(F)c(F)cc1Br ZINC000195544762 455982314 /nfs/dbraw/zinc/98/23/14/455982314.db2.gz MCJTYCNDPHXECE-JSGCOSHPSA-N 0 0 348.187 3.008 40 0 EGABRN CC(C)(C)OC(=O)Nc1cn(-c2ccc(Br)cc2)nn1 ZINC000218789061 456035204 /nfs/dbraw/zinc/03/52/04/456035204.db2.gz IEZDRGFHRLVNBU-UHFFFAOYSA-N 0 0 339.193 3.377 40 0 EGABRN Cc1ccc(CC(=O)NCc2nc(-c3cccs3)no2)cc1C ZINC000218812029 456035362 /nfs/dbraw/zinc/03/53/62/456035362.db2.gz ZXTXRUHOCUSXDL-UHFFFAOYSA-N 0 0 327.409 3.274 40 0 EGABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000222442421 456047165 /nfs/dbraw/zinc/04/71/65/456047165.db2.gz RCMOBZWPCHIGBT-QGZVFWFLSA-N 0 0 338.451 3.009 40 0 EGABRN CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000222914586 456051783 /nfs/dbraw/zinc/05/17/83/456051783.db2.gz ABSJRATWNKAFFP-OAHLLOKOSA-N 0 0 336.451 3.361 40 0 EGABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)[nH]c1C ZINC000223040185 456052599 /nfs/dbraw/zinc/05/25/99/456052599.db2.gz ZWYBOXQLSPMXIU-IRXDYDNUSA-N 0 0 344.484 3.036 40 0 EGABRN COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1 ZINC000223768690 456061316 /nfs/dbraw/zinc/06/13/16/456061316.db2.gz MHWNEBKMENICNF-UHFFFAOYSA-N 0 0 349.452 3.176 40 0 EGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CC ZINC000223963541 456063120 /nfs/dbraw/zinc/06/31/20/456063120.db2.gz PHTZKFIPXUWTEL-JTQLQIEISA-N 0 0 331.243 3.257 40 0 EGABRN COc1cc2c(cc1S(=O)(=O)NCc1ccc(F)cc1)CCCC2 ZINC000224292539 456065198 /nfs/dbraw/zinc/06/51/98/456065198.db2.gz HLTNMSCGLDJCAH-UHFFFAOYSA-N 0 0 349.427 3.192 40 0 EGABRN CCc1ccccc1O[C@H](C)C(=O)NCCOc1ccccc1OC ZINC000224419111 456066770 /nfs/dbraw/zinc/06/67/70/456066770.db2.gz KQTBVULQFIOMIE-OAHLLOKOSA-N 0 0 343.423 3.220 40 0 EGABRN CCc1ccc(OCCNC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 ZINC000224428674 456067024 /nfs/dbraw/zinc/06/70/24/456067024.db2.gz ZKSFFBYNNMPKIT-HNNXBMFYSA-N 0 0 343.423 3.220 40 0 EGABRN CC(C)C[C@H](C[NH2+][C@@H](CC(C)C)C(=O)[O-])NC(=O)OC(C)(C)C ZINC000224539071 456067567 /nfs/dbraw/zinc/06/75/67/456067567.db2.gz XWGKJRVDWFEBEO-KGLIPLIRSA-N 0 0 330.469 3.015 40 0 EGABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCC2)cc1 ZINC000224953656 456070777 /nfs/dbraw/zinc/07/07/77/456070777.db2.gz SDBAHEZARAPIFF-AQTBWJFISA-N 0 0 338.407 3.418 40 0 EGABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NCC(C)C ZINC000224940189 456070910 /nfs/dbraw/zinc/07/09/10/456070910.db2.gz JMXMAUNHHDZGAH-GOSISDBHSA-N 0 0 348.487 3.375 40 0 EGABRN O=S(=O)(Cc1ccc(Cl)cc1)NCCSC1CCCC1 ZINC000225025550 456072235 /nfs/dbraw/zinc/07/22/35/456072235.db2.gz CZSPBUVNKWIWKC-UHFFFAOYSA-N 0 0 333.906 3.435 40 0 EGABRN Cc1ccc(OCCNC(=O)[C@H](c2ccccc2)N(C)C)cc1C ZINC000225178954 456074361 /nfs/dbraw/zinc/07/43/61/456074361.db2.gz NCKLYIKJYFTVCF-IBGZPJMESA-N 0 0 326.440 3.101 40 0 EGABRN CCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCCC1 ZINC000225174697 456074583 /nfs/dbraw/zinc/07/45/83/456074583.db2.gz KUPLZRNGVWSECK-AWEZNQCLSA-N 0 0 334.435 3.402 40 0 EGABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC1CCCC1 ZINC000225311044 456077105 /nfs/dbraw/zinc/07/71/05/456077105.db2.gz JWBFJKOAORSOCA-AQTBWJFISA-N 0 0 338.407 3.418 40 0 EGABRN CCCCN1N[C@@](C)(c2ccccc2Br)NC1=S ZINC000225344148 456078931 /nfs/dbraw/zinc/07/89/31/456078931.db2.gz IVIKVHBGOZEWJB-ZDUSSCGKSA-N 0 0 328.279 3.117 40 0 EGABRN Cc1ccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000225341585 456078724 /nfs/dbraw/zinc/07/87/24/456078724.db2.gz CMBHOQJUJUZYNH-UHFFFAOYSA-N 0 0 339.435 3.448 40 0 EGABRN COc1cccc(-c2noc(CN(C)C(=O)Cc3cccs3)n2)c1 ZINC000225442218 456083126 /nfs/dbraw/zinc/08/31/26/456083126.db2.gz GJOFWAPMTOYEBX-UHFFFAOYSA-N 0 0 343.408 3.008 40 0 EGABRN O=C([O-])CC[N@@H+]1CCC[C@H]1CSc1ccc(Br)cc1 ZINC000225451310 456084309 /nfs/dbraw/zinc/08/43/09/456084309.db2.gz JSVJYPHTDIJWNO-LBPRGKRZSA-N 0 0 344.274 3.480 40 0 EGABRN O=C(c1cccs1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225484035 456086866 /nfs/dbraw/zinc/08/68/66/456086866.db2.gz TVEMGCPGEXMPFY-ZDUSSCGKSA-N 0 0 346.383 3.259 40 0 biogenic,in-vitro EGABRN COc1ccc(NC(=S)NCCCc2ccccc2OC)cn1 ZINC000225552007 456091977 /nfs/dbraw/zinc/09/19/77/456091977.db2.gz RVPYBQXKMUBEGK-UHFFFAOYSA-N 0 0 331.441 3.018 40 0 EGABRN COC(=O)CN(C(=O)c1cccc(Cl)c1C)c1cccc(C)n1 ZINC000225591209 456096476 /nfs/dbraw/zinc/09/64/76/456096476.db2.gz LSPPPLWWFUYGGT-UHFFFAOYSA-N 0 0 332.787 3.172 40 0 EGABRN Cc1nccn1C[C@@H]1CCCN1c1nnc(Cc2ccccc2)s1 ZINC000225596365 456096522 /nfs/dbraw/zinc/09/65/22/456096522.db2.gz UGZXLNIALGPUDJ-INIZCTEOSA-N 0 0 339.468 3.303 40 0 EGABRN Cc1cc(CC(=O)N2CCc3ccccc3[C@@]2(C)C(F)(F)F)no1 ZINC000225601323 456097155 /nfs/dbraw/zinc/09/71/55/456097155.db2.gz HFQBRWJMQPKELT-INIZCTEOSA-N 0 0 338.329 3.388 40 0 EGABRN O=C(c1cccnc1OCc1ccccc1F)N1CCc2cnccc21 ZINC000225634523 456099588 /nfs/dbraw/zinc/09/95/88/456099588.db2.gz JIJHZADLBOTOEA-UHFFFAOYSA-N 0 0 349.365 3.398 40 0 EGABRN O=C(N1CC[C@@H](Oc2cnccn2)C1)C1(c2cccs2)CCCC1 ZINC000225794155 456105472 /nfs/dbraw/zinc/10/54/72/456105472.db2.gz TVJVJVFJMPKGDA-CQSZACIVSA-N 0 0 343.452 3.030 40 0 EGABRN CC1(C)[C@H](c2ccccc2)CCN1C(=O)N=c1cc2n([nH]1)CCCC2 ZINC000333900604 456273206 /nfs/dbraw/zinc/27/32/06/456273206.db2.gz ZCHFDZFKHSCWKA-KRWDZBQOSA-N 0 0 338.455 3.441 40 0 EGABRN Cc1cnc([C@@H](C)NC(=O)c2ccnc(N3CCC[C@@H](C)C3)c2)o1 ZINC000331418460 457181805 /nfs/dbraw/zinc/18/18/05/457181805.db2.gz ONOMREYXKBNMGS-TZMCWYRMSA-N 0 0 328.416 3.105 40 0 EGABRN COc1ccc2c(c1)OC[C@@H](NC(=O)Nc1ncc(C(C)C)s1)C2 ZINC000332203147 457327477 /nfs/dbraw/zinc/32/74/77/457327477.db2.gz ZOCNNKAWYJRHAO-LBPRGKRZSA-N 0 0 347.440 3.400 40 0 EGABRN C[C@@H]1CN(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[C@@H]2CCCC[C@H]21 ZINC000363691613 457416191 /nfs/dbraw/zinc/41/61/91/457416191.db2.gz SVKVCTXUMNEBRV-BSWAZPDLSA-N 0 0 332.448 3.105 40 0 EGABRN Cc1cccc(S(=O)(=O)NC2(c3cccs3)CCOCC2)c1 ZINC000390829073 457443215 /nfs/dbraw/zinc/44/32/15/457443215.db2.gz WLOJLNIYBYTLHJ-UHFFFAOYSA-N 0 0 337.466 3.041 40 0 EGABRN CO[C@]1(C)CCCN(C(=O)N[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000390834233 457446645 /nfs/dbraw/zinc/44/66/45/457446645.db2.gz UXRNCDYEDMDTGC-VQIMIIECSA-N 0 0 332.444 3.370 40 0 EGABRN CNC(=O)c1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1C ZINC000408598305 457584329 /nfs/dbraw/zinc/58/43/29/457584329.db2.gz YZBRJHHMHMCFCD-UHFFFAOYSA-N 0 0 346.452 3.081 40 0 EGABRN FC(F)Cn1cc(Br)c(COCCC(F)(F)F)n1 ZINC000408716486 457587021 /nfs/dbraw/zinc/58/70/21/457587021.db2.gz NOKBGHDXAXRHPT-UHFFFAOYSA-N 0 0 337.086 3.380 40 0 EGABRN O=C([O-])[C@@H]1C[NH2+][C@@H](c2ccc(OCc3ccc(F)cc3)cc2)S1 ZINC000408977888 457591452 /nfs/dbraw/zinc/59/14/52/457591452.db2.gz KIUXVHOQDSXJHM-JKSUJKDBSA-N 0 0 333.384 3.193 40 0 EGABRN C[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc(F)cc1)N2 ZINC000409069267 457591976 /nfs/dbraw/zinc/59/19/76/457591976.db2.gz MFTAEUYWUXLELS-BCQZVRRWSA-N 0 0 344.308 3.325 40 0 EGABRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O ZINC000409099899 457593607 /nfs/dbraw/zinc/59/36/07/457593607.db2.gz RFJMTTXLONFURS-WEVVVXLNSA-N 0 0 345.829 3.389 40 0 EGABRN C[C@@H]1CCCC2=C1NN(C(=O)c1cccc(F)c1)[C@]2(O)C(F)(F)F ZINC000409173851 457594991 /nfs/dbraw/zinc/59/49/91/457594991.db2.gz NYJLWMQLIPFCGE-MURWCNHISA-N 0 0 344.308 3.325 40 0 EGABRN CCOC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1COC ZINC000409123281 457595096 /nfs/dbraw/zinc/59/50/96/457595096.db2.gz BNRYGEHBUSTKPD-UHFFFAOYSA-N 0 0 325.368 3.028 40 0 EGABRN CCCCOc1ccc(NC(=O)C(=O)NCc2cccs2)cc1 ZINC000409256066 457596862 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PPIQVJSZSBCWNL-OAHLLOKOSA-N 0 0 344.461 3.415 40 0 EGABRN Cc1nc(-c2cnc(C)nc2-c2ccc3c(c2O)OCO3)cs1 ZINC000000132909 452515948 /nfs/dbraw/zinc/51/59/48/452515948.db2.gz WJCPGSDGMMWTSV-UHFFFAOYSA-N 0 0 327.365 3.318 40 0 EGABRN O=C1C(Cl)=C(Nc2ccccc2F)C(=O)N1CCc1ccccc1 ZINC000000149379 452522613 /nfs/dbraw/zinc/52/26/13/452522613.db2.gz MVZKZULULLUVMO-UHFFFAOYSA-N 0 0 344.773 3.300 40 0 EGABRN O=C(c1cccnc1)N1NC(C2CCCCC2)=C[C@@]1(O)C(F)(F)F ZINC000000355617 452569808 /nfs/dbraw/zinc/56/98/08/452569808.db2.gz QLAWWYZQNLUNRF-OAHLLOKOSA-N 0 0 341.333 3.115 40 0 EGABRN CCC(=O)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000000412753 452580748 /nfs/dbraw/zinc/58/07/48/452580748.db2.gz FHVJUXYVXVAYEG-KRWDZBQOSA-N 0 0 342.439 3.063 40 0 EGABRN Cc1nc2ccccn2c1-c1csc(NC(=O)c2cccnc2)n1 ZINC000000411580 452580864 /nfs/dbraw/zinc/58/08/64/452580864.db2.gz GAVHFDNIJYZOFN-UHFFFAOYSA-N 0 0 335.392 3.414 40 0 EGABRN CCC(=O)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000411126 452581378 /nfs/dbraw/zinc/58/13/78/452581378.db2.gz QQFVBTUUDYSBQJ-UHFFFAOYSA-N 0 0 335.407 3.170 40 0 EGABRN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000000422197 452584560 /nfs/dbraw/zinc/58/45/60/452584560.db2.gz HIHMPVDRQNJCLN-ZFWWWQNUSA-N 0 0 344.484 3.269 40 0 EGABRN CC(C)OC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 ZINC000000420427 452584895 /nfs/dbraw/zinc/58/48/95/452584895.db2.gz WLTMKDSPNQYZMV-UHFFFAOYSA-N 0 0 331.441 3.280 40 0 EGABRN CCOC(=O)C(C)(C)Sc1nnc(COc2ccccc2C)n1C ZINC000000420495 452585427 /nfs/dbraw/zinc/58/54/27/452585427.db2.gz CSRGNOAWQDEPCH-UHFFFAOYSA-N 0 0 349.456 3.136 40 0 EGABRN CCOc1ccc2nc(-c3ccccc3)nc(SCC(N)=O)c2c1 ZINC000000422092 452585478 /nfs/dbraw/zinc/58/54/78/452585478.db2.gz DQYOZIAGMBJKBM-UHFFFAOYSA-N 0 0 339.420 3.273 40 0 EGABRN CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C)cc3)oc2c1 ZINC000000557651 452622037 /nfs/dbraw/zinc/62/20/37/452622037.db2.gz SAILJJLWTWZAOR-UHFFFAOYSA-N 0 0 339.351 3.112 40 0 EGABRN O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000000557373 452622516 /nfs/dbraw/zinc/62/25/16/452622516.db2.gz QSTYNYLNZKXLQV-UHFFFAOYSA-N 0 0 334.784 3.196 40 0 EGABRN O=C(Cc1ccccc1)NC(=S)Nc1nc2ccc(F)cc2s1 ZINC000000558218 452622714 /nfs/dbraw/zinc/62/27/14/452622714.db2.gz HAPXMPMFAFYXRE-UHFFFAOYSA-N 0 0 345.424 3.491 40 0 EGABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1C ZINC000000779126 452634893 /nfs/dbraw/zinc/63/48/93/452634893.db2.gz GABJCDGIUVZUQS-ZIAGYGMSSA-N 0 0 344.484 3.364 40 0 EGABRN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000000810439 452636891 /nfs/dbraw/zinc/63/68/91/452636891.db2.gz HNKSVLOCQDQAKK-ZDUSSCGKSA-N 0 0 342.370 3.216 40 0 EGABRN CCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1C(C)=O ZINC000000810212 452637560 /nfs/dbraw/zinc/63/75/60/452637560.db2.gz SPSKYOXRETUSGB-OAHLLOKOSA-N 0 0 338.407 3.241 40 0 EGABRN Cn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(F)cc1 ZINC000000905548 452639575 /nfs/dbraw/zinc/63/95/75/452639575.db2.gz HAGXMGFXYYMXSA-UHFFFAOYSA-N 0 0 328.368 3.048 40 0 EGABRN O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 ZINC000001343281 452654921 /nfs/dbraw/zinc/65/49/21/452654921.db2.gz BLUOGXOVGXWOKJ-INIZCTEOSA-N 0 0 327.359 3.461 40 0 EGABRN COc1ccc(NC(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000001590808 452670314 /nfs/dbraw/zinc/67/03/14/452670314.db2.gz UGJWMUXOCFEQKZ-UHFFFAOYSA-N 0 0 329.356 3.306 40 0 EGABRN Cc1cc[n+]([O-])c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c1 ZINC000001688672 452675399 /nfs/dbraw/zinc/67/53/99/452675399.db2.gz JHMZIHOAKVVHDK-UHFFFAOYSA-N 0 0 332.359 3.116 40 0 EGABRN Nc1ccccc1Sc1c(N)cc2c3c(cccc13)C(=O)NC2=O ZINC000001735857 452676233 /nfs/dbraw/zinc/67/62/33/452676233.db2.gz QQEMVAIFEBKTPQ-UHFFFAOYSA-N 0 0 335.388 3.039 40 0 EGABRN Cc1nnc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)s1 ZINC000002241024 452689846 /nfs/dbraw/zinc/68/98/46/452689846.db2.gz SMEZWSKFVVLGNC-UHFFFAOYSA-N 0 0 335.772 3.167 40 0 EGABRN Oc1ccccc1Nc1nc2nonc2nc1Nc1ccc(F)cc1 ZINC000003106961 452744399 /nfs/dbraw/zinc/74/43/99/452744399.db2.gz GMMPSEIXIOKJHN-UHFFFAOYSA-N 0 0 338.302 3.345 40 0 EGABRN COc1ccc([C@@H]2N(c3ccc4c(c3)OCO4)C(=O)C2(F)F)cc1 ZINC000003181832 452746848 /nfs/dbraw/zinc/74/68/48/452746848.db2.gz DSWORVMVJOXWDH-HNNXBMFYSA-N 0 0 333.290 3.147 40 0 EGABRN COC(=O)c1ccc2nc(NC(=O)c3ccccc3F)sc2c1 ZINC000003195822 452747809 /nfs/dbraw/zinc/74/78/09/452747809.db2.gz UUAPXMVZZHAJAA-UHFFFAOYSA-N 0 0 330.340 3.474 40 0 EGABRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C)CC1=O ZINC000003481363 452772273 /nfs/dbraw/zinc/77/22/73/452772273.db2.gz ITLXGJCPAMQJBX-HNNXBMFYSA-N 0 0 338.407 3.385 40 0 EGABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)C(Br)(Br)C2=O ZINC000003846308 452785852 /nfs/dbraw/zinc/78/58/52/452785852.db2.gz HAJCJFAJMJVDRA-QUBYGPBYSA-N 0 0 338.039 3.067 40 0 EGABRN COC(=O)C[C@@H]1c2ccc3c(c2CC[C@@]1(C)C(=O)OC)CCCC3 ZINC000004721435 452815379 /nfs/dbraw/zinc/81/53/79/452815379.db2.gz LYFFXUHKVBPFKK-YLJYHZDGSA-N 0 0 330.424 3.338 40 0 EGABRN Brc1cc2c(cc1CSc1nncs1)OCO2 ZINC000005216680 452847695 /nfs/dbraw/zinc/84/76/95/452847695.db2.gz BSJMIJWXWCGHCN-UHFFFAOYSA-N 0 0 331.216 3.322 40 0 EGABRN CCN(CC)P(=O)(C(Cl)=C(N(C)C)N(C)C)N(CC)CC ZINC000005258477 452852273 /nfs/dbraw/zinc/85/22/73/452852273.db2.gz RKPXTMZYLJIGBT-UHFFFAOYSA-N 0 0 338.864 3.352 40 0 EGABRN CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)NCc1cccs1 ZINC000005413903 452869179 /nfs/dbraw/zinc/86/91/79/452869179.db2.gz KDROYNLTAFXFFE-ZFWWWQNUSA-N 0 0 334.485 3.039 40 0 biogenic,in-vitro EGABRN O=C([C@H](Sc1cccc[n+]1[O-])c1ccccc1)N1CCCCC1 ZINC000005466436 452876335 /nfs/dbraw/zinc/87/63/35/452876335.db2.gz ZTGUWHBOZLSRHD-QGZVFWFLSA-N 0 0 328.437 3.166 40 0 EGABRN Cc1ccc(F)c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000005539015 452882797 /nfs/dbraw/zinc/88/27/97/452882797.db2.gz PJTSAPGZQXCVJD-LBPRGKRZSA-N 0 0 330.334 3.265 40 0 EGABRN COc1cccc(OC)c1C(=O)OCC(=O)c1ccc(C)cc1C ZINC000005537921 452883398 /nfs/dbraw/zinc/88/33/98/452883398.db2.gz FXRQFSLKXDABAW-UHFFFAOYSA-N 0 0 328.364 3.360 40 0 EGABRN CCSc1nnc2c(n1)O[C@H](c1ccc[nH]1)Nc1ccccc1-2 ZINC000005585947 452885697 /nfs/dbraw/zinc/88/56/97/452885697.db2.gz HHBUFBZTWMPGGT-CQSZACIVSA-N 0 0 325.397 3.482 40 0 EGABRN CNC(=O)NC(=O)[C@H](Sc1nc2ccccc2o1)c1ccccc1 ZINC000005628962 452889461 /nfs/dbraw/zinc/88/94/61/452889461.db2.gz KMZHRVTZQONAGT-CQSZACIVSA-N 0 0 341.392 3.117 40 0 EGABRN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 ZINC000005654948 452892355 /nfs/dbraw/zinc/89/23/55/452892355.db2.gz KPSGYILELCYITJ-XJKSGUPXSA-N 0 0 349.402 3.027 40 0 EGABRN CCOc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1 ZINC000006147460 452922174 /nfs/dbraw/zinc/92/21/74/452922174.db2.gz HWGHMBIPTJZSAT-UHFFFAOYSA-N 0 0 344.436 3.396 40 0 EGABRN COc1ccc(CNC(=O)COc2ccc(Cl)c(C)c2)cc1OC ZINC000006285300 452930955 /nfs/dbraw/zinc/93/09/55/452930955.db2.gz AHSWJLRAHZXGIE-UHFFFAOYSA-N 0 0 349.814 3.361 40 0 EGABRN CCN(Cc1ccccc1)c1ccc(/C=C2/NC(=S)NC2=O)cc1 ZINC000006325644 452934591 /nfs/dbraw/zinc/93/45/91/452934591.db2.gz NSQFHEKUVDCOHL-SFQUDFHCSA-N 0 0 337.448 3.058 40 0 EGABRN CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000006326635 452934882 /nfs/dbraw/zinc/93/48/82/452934882.db2.gz MYAFZZZANBCKPA-VIFPVBQESA-N 0 0 325.821 3.397 40 0 EGABRN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000006326632 452935394 /nfs/dbraw/zinc/93/53/94/452935394.db2.gz MYAFZZZANBCKPA-SECBINFHSA-N 0 0 325.821 3.397 40 0 EGABRN O=C1c2ccccc2S(=O)(=O)N1c1ccccc1C(F)(F)F ZINC000006496368 452948584 /nfs/dbraw/zinc/94/85/84/452948584.db2.gz YDKFBGPWGGNGGN-UHFFFAOYSA-N 0 0 327.283 3.055 40 0 EGABRN CCCNC(=O)[C@@H](C)NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000006540557 452952414 /nfs/dbraw/zinc/95/24/14/452952414.db2.gz SGWZVKNOGIVCKB-CQSZACIVSA-N 0 0 326.396 3.123 40 0 EGABRN Cc1cc(C)c(OCC(=O)OCC(=O)NCC2CCCCC2)c(C)c1 ZINC000006551936 452952892 /nfs/dbraw/zinc/95/28/92/452952892.db2.gz KIYLUUXAWCFRJW-UHFFFAOYSA-N 0 0 347.455 3.230 40 0 EGABRN CC(C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000006563963 452954467 /nfs/dbraw/zinc/95/44/67/452954467.db2.gz MZCSFMRTRXBIAX-GOSISDBHSA-N 0 0 344.436 3.192 40 0 EGABRN COc1ccc2c(c1)C(c1ccc(C)o1)=NNC(c1cccnc1)=N2 ZINC000006556907 452955087 /nfs/dbraw/zinc/95/50/87/452955087.db2.gz QOUNQTGOHNYULQ-UHFFFAOYSA-N 0 0 332.363 3.426 40 0 EGABRN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000006579065 452956616 /nfs/dbraw/zinc/95/66/16/452956616.db2.gz OXKJBRDKYJKLSO-KRWDZBQOSA-N 0 0 344.842 3.411 40 0 EGABRN CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc1 ZINC000006650935 452964885 /nfs/dbraw/zinc/96/48/85/452964885.db2.gz LCBYVXAUQDPDBF-UVTDQMKNSA-N 0 0 349.408 3.075 40 0 EGABRN CC(=O)c1ccc(NC(=O)[C@H]2CC(c3ccccc3F)=NO2)cc1 ZINC000006738413 452980155 /nfs/dbraw/zinc/98/01/55/452980155.db2.gz RKMOKJUXKKPILV-QGZVFWFLSA-N 0 0 326.327 3.160 40 0 EGABRN CCN(Cc1cc(=O)n2nc(C(C)C)sc2n1)c1ccccc1 ZINC000006902277 453005895 /nfs/dbraw/zinc/00/58/95/453005895.db2.gz FHXXOBPSQKKVIR-UHFFFAOYSA-N 0 0 328.441 3.301 40 0 EGABRN CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O ZINC000006951683 453010343 /nfs/dbraw/zinc/01/03/43/453010343.db2.gz TVQPLFXNSNZWIU-GZTJUZNOSA-N 0 0 340.354 3.317 40 0 EGABRN Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(Cl)ccc1O ZINC000006993386 453015950 /nfs/dbraw/zinc/01/59/50/453015950.db2.gz IQJHGWTZVZADRO-UHFFFAOYSA-N 0 0 332.787 3.031 40 0 EGABRN O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000007399766 453070123 /nfs/dbraw/zinc/07/01/23/453070123.db2.gz SAVMDHYFCMDIOC-ZDUSSCGKSA-N 0 0 346.789 3.148 40 0 EGABRN Cc1ccc(NC(=O)COC(=O)CCC(=O)c2ccccc2)cc1C ZINC000007396121 453070273 /nfs/dbraw/zinc/07/02/73/453070273.db2.gz WKFQMFGLOABXQH-UHFFFAOYSA-N 0 0 339.391 3.448 40 0 EGABRN Nc1cccc(C(=O)Nc2ccc(I)cc2)c1 ZINC000007468623 453078729 /nfs/dbraw/zinc/07/87/29/453078729.db2.gz UAAOPAMHOFEPJI-UHFFFAOYSA-N 0 0 338.148 3.126 40 0 EGABRN COc1cc(C(=O)NCCc2ccccc2F)ccc1OC(F)F ZINC000007545220 453085412 /nfs/dbraw/zinc/08/54/12/453085412.db2.gz JBOZHLGDOZXKKW-UHFFFAOYSA-N 0 0 339.313 3.408 40 0 EGABRN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(F)cc2)c(C)c1 ZINC000007645765 453097495 /nfs/dbraw/zinc/09/74/95/453097495.db2.gz LXWFLJLAJPQAFW-UHFFFAOYSA-N 0 0 328.387 3.462 40 0 EGABRN C[C@@H](Sc1nncn1-c1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000007677796 453102270 /nfs/dbraw/zinc/10/22/70/453102270.db2.gz GFASIHPHDDOYLO-FMKPAKJESA-N 0 0 344.484 3.443 40 0 EGABRN COC(=O)c1cc(COC(=O)COc2cc(C)cc(C)c2)oc1C ZINC000007793980 453117261 /nfs/dbraw/zinc/11/72/61/453117261.db2.gz ZNMREGWYAWRPES-UHFFFAOYSA-N 0 0 332.352 3.114 40 0 EGABRN COc1cccc(N2C[C@H](C(=O)Oc3ccccc3Cl)CC2=O)c1 ZINC000007928733 453136071 /nfs/dbraw/zinc/13/60/71/453136071.db2.gz HUMBHVXTZDJDOP-GFCCVEGCSA-N 0 0 345.782 3.307 40 0 EGABRN CCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C=O)cc2)CC1=O ZINC000007928776 453136207 /nfs/dbraw/zinc/13/62/07/453136207.db2.gz WNMSJYKVJJOZOC-INIZCTEOSA-N 0 0 337.375 3.020 40 0 EGABRN COc1ccc(CCNC(=S)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000007985435 453143889 /nfs/dbraw/zinc/14/38/89/453143889.db2.gz WQIORGIHXPZJEA-ZDUSSCGKSA-N 0 0 346.418 3.387 40 0 EGABRN O=C(CCCOc1ccccc1)OCC(=O)c1ccc2c(c1)OCO2 ZINC000008036351 453152656 /nfs/dbraw/zinc/15/26/56/453152656.db2.gz LQBJUNVVIAASPU-UHFFFAOYSA-N 0 0 342.347 3.000 40 0 EGABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCc1ccc(OC)cc1 ZINC000008049906 453154034 /nfs/dbraw/zinc/15/40/34/453154034.db2.gz HWVZDQOABJXCTM-QGZVFWFLSA-N 0 0 343.423 3.220 40 0 EGABRN Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)on1 ZINC000008073853 453156922 /nfs/dbraw/zinc/15/69/22/453156922.db2.gz STKDDXJZMVIJLY-UHFFFAOYSA-N 0 0 337.383 3.220 40 0 EGABRN Cc1cccn2c(=O)cc(CN(C)Cc3ccc(Cl)s3)nc12 ZINC000008073346 453157417 /nfs/dbraw/zinc/15/74/17/453157417.db2.gz MUHLPQKIVJPDKO-UHFFFAOYSA-N 0 0 333.844 3.350 40 0 EGABRN CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000008091612 453158783 /nfs/dbraw/zinc/15/87/83/453158783.db2.gz ZHBZGRRDYYXWJQ-KPKJPENVSA-N 0 0 347.714 3.031 40 0 EGABRN CCc1ccc(OC)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000008132602 453167558 /nfs/dbraw/zinc/16/75/58/453167558.db2.gz BVTFJLXSTYFNFG-CYBMUJFWSA-N 0 0 331.437 3.398 40 0 EGABRN O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCCCC1 ZINC000008181029 453175532 /nfs/dbraw/zinc/17/55/32/453175532.db2.gz UTENIPXUHLEIBV-UHFFFAOYSA-N 0 0 344.436 3.114 40 0 EGABRN C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000008221950 453178694 /nfs/dbraw/zinc/17/86/94/453178694.db2.gz UBLWRJZOHGPGCG-LKKYZFDUSA-N 0 0 344.436 3.124 40 0 EGABRN Cc1ccn2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)nc2c1 ZINC000008281609 453185368 /nfs/dbraw/zinc/18/53/68/453185368.db2.gz OTTWOCDWHAQJMQ-UHFFFAOYSA-N 0 0 348.450 3.222 40 0 EGABRN C[C@@H](NC(=O)[C@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 ZINC000008324968 453192177 /nfs/dbraw/zinc/19/21/77/453192177.db2.gz SNVHMHFSQRZOGP-KGLIPLIRSA-N 0 0 344.484 3.363 40 0 EGABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000008355065 453195811 /nfs/dbraw/zinc/19/58/11/453195811.db2.gz JXRFAKXSNNJASR-GFCCVEGCSA-N 0 0 345.395 3.212 40 0 EGABRN COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccccc1F ZINC000008388898 453198887 /nfs/dbraw/zinc/19/88/87/453198887.db2.gz FBQXISFTWMTYRX-JXMROGBWSA-N 0 0 328.343 3.445 40 0 EGABRN COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2OC)c1C ZINC000008494861 453209615 /nfs/dbraw/zinc/20/96/15/453209615.db2.gz RJQPSNMTAMOXTB-ZDUSSCGKSA-N 0 0 343.379 3.196 40 0 EGABRN COCCOC(=O)c1oc2c(c1C)C(=O)C[C@H](c1ccccc1F)C2 ZINC000008559616 453215165 /nfs/dbraw/zinc/21/51/65/453215165.db2.gz YKZBYJMHVLWEHY-LBPRGKRZSA-N 0 0 346.354 3.443 40 0 EGABRN COc1ccc2cc(COC(=O)c3cnc(C)cn3)c(Cl)nc2c1 ZINC000011481094 453320473 /nfs/dbraw/zinc/32/04/73/453320473.db2.gz OQJIPJGXBZGXFP-UHFFFAOYSA-N 0 0 343.770 3.352 40 0 EGABRN CCN(CC)c1nc(O)c(CC(=O)Nc2ccccc2Cl)s1 ZINC000012688078 453390203 /nfs/dbraw/zinc/39/02/03/453390203.db2.gz KNXMTQFEVFTEGR-GFCCVEGCSA-N 0 0 339.848 3.008 40 0 EGABRN Cc1nc2cc([C@H]3CC[N@H+](CC4CCCCC4)C3)[n-]n2c(=O)c1C ZINC000012745711 453397217 /nfs/dbraw/zinc/39/72/17/453397217.db2.gz CTRPJUOTBBJXNA-INIZCTEOSA-N 0 0 328.460 3.421 40 0 EGABRN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000013072590 453442528 /nfs/dbraw/zinc/44/25/28/453442528.db2.gz RRIBLNSTPDANIC-FQEVSTJZSA-N 0 0 338.382 3.282 40 0 EGABRN Nc1ccc(C(=O)Nc2ccc3[nH]c(-c4cccnc4)nc3c2)cc1 ZINC000013108237 453444274 /nfs/dbraw/zinc/44/42/74/453444274.db2.gz MRZNPPSXEYCOJP-UHFFFAOYSA-N 0 0 329.363 3.459 40 0 EGABRN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccnc1 ZINC000013267179 453456311 /nfs/dbraw/zinc/45/63/11/453456311.db2.gz XIAPIYHKILCJOK-GOSISDBHSA-N 0 0 332.407 3.134 40 0 EGABRN CCCc1nn2c(nc(COc3ccc(CC)cc3)cc2=O)s1 ZINC000013367733 453461363 /nfs/dbraw/zinc/46/13/63/453461363.db2.gz JZNDHOZHFVDWJC-UHFFFAOYSA-N 0 0 329.425 3.245 40 0 EGABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)cc1Br ZINC000013389004 453463343 /nfs/dbraw/zinc/46/33/43/453463343.db2.gz NUCZPUSNNXDXCL-JLUCKKNBSA-N 0 0 346.224 3.459 40 0 EGABRN COc1cccc(N2C(=S)N=NC2CNc2ccc(F)cc2)c1 ZINC000013534720 453467163 /nfs/dbraw/zinc/46/71/63/453467163.db2.gz VIEUGTBDLCDDIC-UHFFFAOYSA-N 0 0 330.388 3.316 40 0 EGABRN CC(=O)C[C@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2)C1=O ZINC000013568766 453470652 /nfs/dbraw/zinc/47/06/52/453470652.db2.gz NMPXAITVRBRIQH-SFHVURJKSA-N 0 0 329.783 3.054 40 0 EGABRN COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000013710260 453484485 /nfs/dbraw/zinc/48/44/85/453484485.db2.gz QWROVXDCODQUKC-AWEZNQCLSA-N 0 0 327.380 3.496 40 0 EGABRN CC(C)Oc1ccc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)cc1 ZINC000013999456 453498289 /nfs/dbraw/zinc/49/82/89/453498289.db2.gz IMRRPVJTQZHWQH-HNNXBMFYSA-N 0 0 344.455 3.276 40 0 EGABRN C[C@@H]1CN(C(=O)COc2ccc(Oc3ccccc3)cc2)CCO1 ZINC000014189580 453516948 /nfs/dbraw/zinc/51/69/48/453516948.db2.gz BIFHZWPXCLDSHI-OAHLLOKOSA-N 0 0 327.380 3.105 40 0 EGABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1OC ZINC000014219389 453521562 /nfs/dbraw/zinc/52/15/62/453521562.db2.gz ULVFZBVQTVMFCH-CQSZACIVSA-N 0 0 349.452 3.360 40 0 EGABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000014219548 453521877 /nfs/dbraw/zinc/52/18/77/453521877.db2.gz HAXMTJXMQAPHNB-OAHLLOKOSA-N 0 0 335.425 3.133 40 0 EGABRN CCc1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1 ZINC000014232412 453523525 /nfs/dbraw/zinc/52/35/25/453523525.db2.gz QLVHYSOGOUOVGO-UHFFFAOYSA-N 0 0 341.436 3.295 40 0 EGABRN CCOc1ccc(Oc2ccc(N3C(=O)[C@H](C)NC3=S)cc2)cc1 ZINC000015569657 453576947 /nfs/dbraw/zinc/57/69/47/453576947.db2.gz VEUVXIYTVGGTKI-LBPRGKRZSA-N 0 0 342.420 3.487 40 0 EGABRN CCc1c(O)nc(SCC(=O)c2ccccc2)n([C@@H](C)CC)c1=O ZINC000016161151 453597072 /nfs/dbraw/zinc/59/70/72/453597072.db2.gz BAMHGRVCQQJFIK-LBPRGKRZSA-N 0 0 346.452 3.457 40 0 EGABRN COc1ccc(C)cc1CN(C)[C@@H](C)C(=O)NCc1cccs1 ZINC000016356065 453601890 /nfs/dbraw/zinc/60/18/90/453601890.db2.gz NXKDURQANRJDQT-AWEZNQCLSA-N 0 0 332.469 3.202 40 0 EGABRN FC(F)(F)c1nc(C2CC2)ncc1-c1nnnn1-c1ccccc1 ZINC000016523890 453610568 /nfs/dbraw/zinc/61/05/68/453610568.db2.gz NCQHKFKCKOXWRV-UHFFFAOYSA-N 0 0 332.289 3.016 40 0 EGABRN CCOc1cc(Br)c(Br)c(C=O)c1OC ZINC000016688141 453618975 /nfs/dbraw/zinc/61/89/75/453618975.db2.gz OUXSYUYZBZRJSE-UHFFFAOYSA-N 0 0 337.995 3.431 40 0 EGABRN Cc1ccc(NC(=S)N2CCN(Cc3ccccn3)CC2)c(C)c1 ZINC000016704525 453620553 /nfs/dbraw/zinc/62/05/53/453620553.db2.gz HBBWHEHWZJGKCV-UHFFFAOYSA-N 0 0 340.496 3.213 40 0 EGABRN COc1ccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c(OC)c1 ZINC000016740303 453621825 /nfs/dbraw/zinc/62/18/25/453621825.db2.gz TYLPPVAFSXLIAB-UHFFFAOYSA-N 0 0 329.352 3.377 40 0 EGABRN CCc1ccc(NC(=O)Cn2nc(C)n(-n3cccc3)c2=S)cc1 ZINC000016807024 453622644 /nfs/dbraw/zinc/62/26/44/453622644.db2.gz VWAOJDNVWIPTAE-UHFFFAOYSA-N 0 0 341.440 3.037 40 0 EGABRN COc1ccc(CNC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000016985209 453626681 /nfs/dbraw/zinc/62/66/81/453626681.db2.gz BMDOOLKKJLGJBD-UHFFFAOYSA-N 0 0 325.408 3.060 40 0 EGABRN COc1ccc2cc(CNc3ccccc3NC(C)=O)c(=O)[nH]c2c1 ZINC000019022892 453653592 /nfs/dbraw/zinc/65/35/92/453653592.db2.gz QDXGWPUUXJSDCK-UHFFFAOYSA-N 0 0 337.379 3.107 40 0 EGABRN Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)nc2ccccc12 ZINC000019118960 453654078 /nfs/dbraw/zinc/65/40/78/453654078.db2.gz TVJPUKIEQICGFX-ZIFCJYIRSA-N 0 0 347.462 3.404 40 0 EGABRN O=C(c1ccccc1)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000019368742 453656678 /nfs/dbraw/zinc/65/66/78/453656678.db2.gz MAAIPQKDXBHCPR-MRXNPFEDSA-N 0 0 334.379 3.151 40 0 EGABRN O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000020612093 453667386 /nfs/dbraw/zinc/66/73/86/453667386.db2.gz ZDFRVNVCTBFQKY-UHFFFAOYSA-N 0 0 334.847 3.205 40 0 EGABRN COc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1 ZINC000022235314 453688111 /nfs/dbraw/zinc/68/81/11/453688111.db2.gz ABRGJNNEGJPLOW-UHFFFAOYSA-N 0 0 334.375 3.209 40 0 EGABRN O=C(NCc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000023131167 453704532 /nfs/dbraw/zinc/70/45/32/453704532.db2.gz JFPBFGDZDUTJGK-ZDUSSCGKSA-N 0 0 346.789 3.148 40 0 EGABRN Cc1cccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000024067225 453724611 /nfs/dbraw/zinc/72/46/11/453724611.db2.gz YOLSTWVVCRWNRN-AWEZNQCLSA-N 0 0 327.380 3.022 40 0 EGABRN CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(Cl)c1 ZINC000024191521 453726586 /nfs/dbraw/zinc/72/65/86/453726586.db2.gz OLPSHVOBMFYEBS-UHFFFAOYSA-N 0 0 344.842 3.449 40 0 EGABRN C[C@H]1CCCC[C@H]1NC(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000024257133 453729793 /nfs/dbraw/zinc/72/97/93/453729793.db2.gz NMBMYPCMJUYIIN-WMLDXEAASA-N 0 0 345.487 3.322 40 0 EGABRN C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000024257129 453729936 /nfs/dbraw/zinc/72/99/36/453729936.db2.gz NMBMYPCMJUYIIN-RHSMWYFYSA-N 0 0 345.487 3.322 40 0 EGABRN CCc1c(C(=O)NCCc2csc(C)n2)cnn1-c1ccccc1 ZINC000024439566 453733633 /nfs/dbraw/zinc/73/36/33/453733633.db2.gz MNFBJUHGCODEES-UHFFFAOYSA-N 0 0 340.452 3.172 40 0 EGABRN CCn1cnnc1-c1cccc(NC(=O)c2cn3ccc(C)cc3n2)c1 ZINC000025281511 453763771 /nfs/dbraw/zinc/76/37/71/453763771.db2.gz YROXVWZURAXKCP-UHFFFAOYSA-N 0 0 346.394 3.173 40 0 EGABRN Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc2c[nH]nc2c1 ZINC000025790584 453785783 /nfs/dbraw/zinc/78/57/83/453785783.db2.gz DPAXRGPCBJGHQC-CYBMUJFWSA-N 0 0 337.379 3.364 40 0 EGABRN Cc1nc2ccccc2n1CCNC(=O)c1ccc(C(F)(F)F)nc1 ZINC000026355025 453797576 /nfs/dbraw/zinc/79/75/76/453797576.db2.gz NEOVZXZFHKUXCW-UHFFFAOYSA-N 0 0 348.328 3.189 40 0 EGABRN Cn1ccnc1SCCNc1ncnc2c3ccccc3oc21 ZINC000026760758 453805226 /nfs/dbraw/zinc/80/52/26/453805226.db2.gz XETQJKCYZRRJAM-UHFFFAOYSA-N 0 0 325.397 3.314 40 0 EGABRN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nnc(C2CC2)s1 ZINC000028227413 453822704 /nfs/dbraw/zinc/82/27/04/453822704.db2.gz DJYIBRVUDMVLEU-SNVBAGLBSA-N 0 0 329.425 3.310 40 0 EGABRN CCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)CC)c1 ZINC000029645393 453830406 /nfs/dbraw/zinc/83/04/06/453830406.db2.gz ICIGUUKHGVTQAG-UHFFFAOYSA-N 0 0 332.425 3.263 40 0 EGABRN CCN(C[C@H]1COc2ccccc2O1)c1ncnc2ccsc21 ZINC000030598074 453836921 /nfs/dbraw/zinc/83/69/21/453836921.db2.gz OCVDFOXWMNPGMW-LBPRGKRZSA-N 0 0 327.409 3.358 40 0 EGABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000030857414 453839544 /nfs/dbraw/zinc/83/95/44/453839544.db2.gz JZOWASQVHJMSHC-GFCCVEGCSA-N 0 0 331.368 3.118 40 0 EGABRN O=C(c1ccc[nH]c1=S)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000031269979 453844086 /nfs/dbraw/zinc/84/40/86/453844086.db2.gz QQVDFLLAHIMWPK-INIZCTEOSA-N 0 0 328.437 3.330 40 0 EGABRN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC=C(c2ccccc2)CC1 ZINC000030995999 453844231 /nfs/dbraw/zinc/84/42/31/453844231.db2.gz JTNDXWLLVOFFDU-GOSISDBHSA-N 0 0 338.451 3.093 40 0 EGABRN Cc1ccc(CCNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)o1 ZINC000031421217 453847348 /nfs/dbraw/zinc/84/73/48/453847348.db2.gz SKXOEHRUBWYRSE-UHFFFAOYSA-N 0 0 338.411 3.028 40 0 EGABRN COCc1nc(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)cs1 ZINC000081336364 453862613 /nfs/dbraw/zinc/86/26/13/453862613.db2.gz CHFJJKJVFIGNQD-VIFPVBQESA-N 0 0 338.816 3.371 40 0 EGABRN CCc1ccc(OCC(=O)Nc2ccccc2C)c(-n2cnnc2)c1 ZINC000032646927 453881504 /nfs/dbraw/zinc/88/15/04/453881504.db2.gz OMXZHHRISCVPJJ-UHFFFAOYSA-N 0 0 336.395 3.156 40 0 EGABRN CCCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)NC1CC1 ZINC000032691771 453884382 /nfs/dbraw/zinc/88/43/82/453884382.db2.gz WLWWURQVWIELMT-CYBMUJFWSA-N 0 0 344.484 3.038 40 0 EGABRN 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Cc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3F)CC2=O)cc1 ZINC000008034131 453152201 /nfs/dbraw/zinc/15/22/01/453152201.db2.gz DQLYTQCDJQFYBA-GFCCVEGCSA-N 0 0 330.334 3.265 40 0 EGABRN COc1ccc(NC(=O)CN(C)Cc2nc3ccccc3s2)cc1 ZINC000008093188 453160558 /nfs/dbraw/zinc/16/05/58/453160558.db2.gz QFYNTTPMEFDYQF-UHFFFAOYSA-N 0 0 341.436 3.375 40 0 EGABRN CN(CC(=O)Nc1cccc(F)c1)C(=O)CSc1ccccc1 ZINC000008313712 453190299 /nfs/dbraw/zinc/19/02/99/453190299.db2.gz PJLUIJPMTFUWRQ-UHFFFAOYSA-N 0 0 332.400 3.015 40 0 EGABRN C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H](C)c1ccccc1 ZINC000008324964 453191914 /nfs/dbraw/zinc/19/19/14/453191914.db2.gz SNVHMHFSQRZOGP-UONOGXRCSA-N 0 0 344.484 3.363 40 0 EGABRN Cc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(O)c1 ZINC000008378879 453198422 /nfs/dbraw/zinc/19/84/22/453198422.db2.gz YGVZTBJVOCRLJW-HNNXBMFYSA-N 0 0 328.393 3.142 40 0 EGABRN COC(=O)c1ccc(CNC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000008486567 453206499 /nfs/dbraw/zinc/20/64/99/453206499.db2.gz KZWWXJMMHZIQKH-UHFFFAOYSA-N 0 0 339.725 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CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(F)cc3c2OCOC3)c1C ZINC000014129651 453509502 /nfs/dbraw/zinc/50/95/02/453509502.db2.gz BGAFGGTVMNKSHK-UHFFFAOYSA-N 0 0 347.342 3.197 40 0 EGABRN NC(=O)[C@H](Sc1nnc(CCC2CCCC2)[nH]1)c1ccccc1 ZINC000014805768 453545074 /nfs/dbraw/zinc/54/50/74/453545074.db2.gz ARFDSRWEAPTSJD-OAHLLOKOSA-N 0 0 330.457 3.246 40 0 EGABRN COc1cc(OC)c(OC)cc1C[C@@H]1c2ccccc2N(C)C1=O ZINC000015017800 453552196 /nfs/dbraw/zinc/55/21/96/453552196.db2.gz SRDSTSMSCUZYSF-CQSZACIVSA-N 0 0 327.380 3.015 40 0 EGABRN C[C@H](NC(=O)CSc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015198098 453561959 /nfs/dbraw/zinc/56/19/59/453561959.db2.gz FERSJZGCZQDKCA-ZDUSSCGKSA-N 0 0 349.477 3.060 40 0 EGABRN COc1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1OC ZINC000015330627 453568860 /nfs/dbraw/zinc/56/88/60/453568860.db2.gz AZYXAOBGBISJPA-LBPRGKRZSA-N 0 0 349.814 3.441 40 0 EGABRN CCOCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OC ZINC000015554719 453576866 /nfs/dbraw/zinc/57/68/66/453576866.db2.gz IHASXHNHTKEONE-UHFFFAOYSA-N 0 0 343.379 3.271 40 0 EGABRN CCOc1cc(C(=O)Nc2ccc(OC)cc2OC)ccc1OC ZINC000015654380 453581367 /nfs/dbraw/zinc/58/13/67/453581367.db2.gz UVQWOZXZAUFPSZ-UHFFFAOYSA-N 0 0 331.368 3.363 40 0 EGABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2ccccc2)C1 ZINC000015674901 453582036 /nfs/dbraw/zinc/58/20/36/453582036.db2.gz MVSSHDFNUOBJMB-SJORKVTESA-N 0 0 339.370 3.184 40 0 biogenic,in-vitro EGABRN O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2cccs2)C1 ZINC000015674107 453582357 /nfs/dbraw/zinc/58/23/57/453582357.db2.gz GPRNFEALZIRBEP-HIFRSBDPSA-N 0 0 327.409 3.106 40 0 biogenic,in-vitro EGABRN O=C(Nc1nn2c(nnc2-c2ccccc2)s1)c1ccc(F)cc1 ZINC000015674530 453582461 /nfs/dbraw/zinc/58/24/61/453582461.db2.gz VGMGWYPWGMUXJV-UHFFFAOYSA-N 0 0 339.355 3.244 40 0 EGABRN O=C(CNC(=O)c1cc(Cl)ccc1Cl)OCc1ccccc1 ZINC000015950819 453589647 /nfs/dbraw/zinc/58/96/47/453589647.db2.gz KHJXBZKWWGWNCB-UHFFFAOYSA-N 0 0 338.190 3.467 40 0 EGABRN COc1ccccc1Nc1ncccc1C(=O)OCc1cc(C)on1 ZINC000016251432 453598904 /nfs/dbraw/zinc/59/89/04/453598904.db2.gz KDVZGLXSGKNRRE-UHFFFAOYSA-N 0 0 339.351 3.487 40 0 EGABRN COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OC)cc2)c1 ZINC000016274905 453599112 /nfs/dbraw/zinc/59/91/12/453599112.db2.gz DODGIAUIYDKDDG-UHFFFAOYSA-N 0 0 344.436 3.277 40 0 EGABRN CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000016639879 453617059 /nfs/dbraw/zinc/61/70/59/453617059.db2.gz DBPPRQWDLGEPTC-UHFFFAOYSA-N 0 0 346.452 3.244 40 0 EGABRN CCCCCCNC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000016637950 453617293 /nfs/dbraw/zinc/61/72/93/453617293.db2.gz BOXLQYVNCWNAKP-UHFFFAOYSA-N 0 0 344.459 3.256 40 0 EGABRN COc1ccccc1NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC000016891488 453623081 /nfs/dbraw/zinc/62/30/81/453623081.db2.gz CWBYASIMSUFCDU-UHFFFAOYSA-N 0 0 347.440 3.318 40 0 EGABRN CCOC(=O)c1cc2occc2n1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000018117119 453644496 /nfs/dbraw/zinc/64/44/96/453644496.db2.gz QGRVZWUEIHSZDQ-BETUJISGSA-N 0 0 332.400 3.201 40 0 EGABRN Cc1cc2nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c2cc1C 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338.154 3.029 40 0 EGABRN Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)on1 ZINC000014567138 453538190 /nfs/dbraw/zinc/53/81/90/453538190.db2.gz LFPGSIFTVNMWSX-MRVPVSSYSA-N 0 0 336.398 3.214 40 0 EGABRN CCOc1ccc2nc(Nc3nc(C(C)C)cc(=O)[nH]3)nc(C)c2c1 ZINC000014608242 453540449 /nfs/dbraw/zinc/54/04/49/453540449.db2.gz UVFGQNVTVFRUKX-UHFFFAOYSA-N 0 0 339.399 3.287 40 0 EGABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccccc1 ZINC000014796190 453543611 /nfs/dbraw/zinc/54/36/11/453543611.db2.gz YBABQPFTUAUYRS-CQSZACIVSA-N 0 0 326.396 3.232 40 0 EGABRN CCOc1ccc(Oc2ccc(N3C(=O)[C@@H](C)NC3=S)cc2)cc1 ZINC000015569658 453576773 /nfs/dbraw/zinc/57/67/73/453576773.db2.gz VEUVXIYTVGGTKI-GFCCVEGCSA-N 0 0 342.420 3.487 40 0 EGABRN Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000016087261 453593050 /nfs/dbraw/zinc/59/30/50/453593050.db2.gz GATRNRDSUSCDJM-LLVKDONJSA-N 0 0 330.409 3.484 40 0 EGABRN O=C(NCCc1ccccc1F)c1cc(Br)ccc1O ZINC000016497956 453610858 /nfs/dbraw/zinc/61/08/58/453610858.db2.gz JWNNIBLGXOFXEC-UHFFFAOYSA-N 0 0 338.176 3.266 40 0 EGABRN COc1ccc2cc3c(nc2c1)N(NC(=O)/C=C/c1ccccc1)CC3 ZINC000016778461 453622214 /nfs/dbraw/zinc/62/22/14/453622214.db2.gz PKAGAHFBVPQERO-JXMROGBWSA-N 0 0 345.402 3.351 40 0 EGABRN Cc1ccc(C2(CNC(=O)COc3ccccc3)CCOCC2)cc1 ZINC000016970379 453625254 /nfs/dbraw/zinc/62/52/54/453625254.db2.gz OIXQDRHDUICQFE-UHFFFAOYSA-N 0 0 339.435 3.238 40 0 EGABRN CN(C)C(=S)/N=c1\ssc(=S)n1Cc1cccs1 ZINC000018044084 453642338 /nfs/dbraw/zinc/64/23/38/453642338.db2.gz OPALQZRLQUAKIG-LUAWRHEFSA-N 0 0 333.554 3.198 40 0 EGABRN O=C(/C=C/c1ccccc1)NCCCCNC(=O)/C=C\c1ccccc1 ZINC000018159036 453644923 /nfs/dbraw/zinc/64/49/23/453644923.db2.gz NXPDEWPVRYWKQX-VCFJNTAESA-N 0 0 348.446 3.426 40 0 EGABRN O=C(c1ccccc1)N1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000019368745 453656012 /nfs/dbraw/zinc/65/60/12/453656012.db2.gz MAAIPQKDXBHCPR-INIZCTEOSA-N 0 0 334.379 3.151 40 0 EGABRN CCC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(C)=O ZINC000019712869 453658739 /nfs/dbraw/zinc/65/87/39/453658739.db2.gz ZXTPOHMAQOTDPH-AQNXPRMDSA-N 0 0 342.483 3.400 40 0 EGABRN CN(C(=O)c1ccc(I)cc1)C1CCCC1 ZINC000020460909 453665376 /nfs/dbraw/zinc/66/53/76/453665376.db2.gz ROXIYIOXIVGNEO-UHFFFAOYSA-N 0 0 329.181 3.306 40 0 EGABRN Cn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022112189 453686578 /nfs/dbraw/zinc/68/65/78/453686578.db2.gz KPTDKJNNQVHUAJ-UHFFFAOYSA-N 0 0 347.781 3.194 40 0 EGABRN CC(C)(C)OC(=O)N1CCN[C@H](c2cccc(Br)c2)C1 ZINC000022115741 453686859 /nfs/dbraw/zinc/68/68/59/453686859.db2.gz GBSJUGQKOBCQRZ-ZDUSSCGKSA-N 0 0 341.249 3.331 40 0 EGABRN O=C(Cc1csc(COc2ccc(F)cc2)n1)NCc1ccco1 ZINC000022374509 453691495 /nfs/dbraw/zinc/69/14/95/453691495.db2.gz DUJXWOVAYKRILY-UHFFFAOYSA-N 0 0 346.383 3.313 40 0 EGABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000023976070 453720837 /nfs/dbraw/zinc/72/08/37/453720837.db2.gz OLFBJHANYFXIAC-LLVKDONJSA-N 0 0 349.839 3.335 40 0 EGABRN CC(=O)Nc1cc(NCC(=O)Nc2ccccc2Cl)ccc1F ZINC000024362162 453731253 /nfs/dbraw/zinc/73/12/53/453731253.db2.gz NVJRZZGWFYXEFZ-UHFFFAOYSA-N 0 0 335.766 3.488 40 0 EGABRN CC(C)[C@@H](NC(=O)Nc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000024535783 453735957 /nfs/dbraw/zinc/73/59/57/453735957.db2.gz MUULYBGAHLOJSY-QGZVFWFLSA-N 0 0 327.384 3.372 40 0 EGABRN O=C(Nc1cccc(-c2nnco2)c1)c1cncn1-c1ccccc1 ZINC000024735613 453744568 /nfs/dbraw/zinc/74/45/68/453744568.db2.gz PIXNCCLWQATYBR-UHFFFAOYSA-N 0 0 331.335 3.175 40 0 EGABRN Cc1ccccc1-c1noc(CNc2ccccc2-n2cncn2)n1 ZINC000024829817 453749030 /nfs/dbraw/zinc/74/90/30/453749030.db2.gz SLOPGKXMGWPKCW-UHFFFAOYSA-N 0 0 332.367 3.238 40 0 EGABRN COCc1c(C(=O)N(C)Cc2cnn(C)c2)sc2cccc(F)c21 ZINC000025047486 453756523 /nfs/dbraw/zinc/75/65/23/453756523.db2.gz ZTSJGTCJZDCVBR-UHFFFAOYSA-N 0 0 347.415 3.193 40 0 EGABRN COC(=O)C[C@H](NC(=O)CCc1ccc(F)cc1)c1cccs1 ZINC000025196767 453761507 /nfs/dbraw/zinc/76/15/07/453761507.db2.gz JFOOKVHGJOKWHK-AWEZNQCLSA-N 0 0 335.400 3.240 40 0 EGABRN Cc1cccn2cc(CSc3nnc(C4CCCCC4)n3N)nc12 ZINC000025603310 453779408 /nfs/dbraw/zinc/77/94/08/453779408.db2.gz AXVCLOYKIRXXFN-UHFFFAOYSA-N 0 0 342.472 3.288 40 0 EGABRN O=C(Nc1nc2c(s1)CCC2)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000025767356 453785114 /nfs/dbraw/zinc/78/51/14/453785114.db2.gz KKMBSDRMHNNEGL-AWEZNQCLSA-N 0 0 344.436 3.442 40 0 EGABRN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c(C)s1 ZINC000026038508 453791814 /nfs/dbraw/zinc/79/18/14/453791814.db2.gz CLGXRKYNJUTOLH-KRWDZBQOSA-N 0 0 336.457 3.294 40 0 EGABRN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000027399968 453816183 /nfs/dbraw/zinc/81/61/83/453816183.db2.gz IXOAXCRTGVWRQX-VOMSXAGXSA-N 0 0 338.407 3.160 40 0 EGABRN Cc1cccnc1NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000027754590 453820366 /nfs/dbraw/zinc/82/03/66/453820366.db2.gz PAIVZRGAKFEYRS-UHFFFAOYSA-N 0 0 339.273 3.199 40 0 EGABRN Cc1cc(C(=O)NCCCn2nc(C(F)(F)F)cc2C)c(C)o1 ZINC000027933072 453821444 /nfs/dbraw/zinc/82/14/44/453821444.db2.gz QUDDXLVKHRYOCS-UHFFFAOYSA-N 0 0 329.322 3.240 40 0 EGABRN O=C(Nc1ccc(Cl)cn1)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000027982144 453821739 /nfs/dbraw/zinc/82/17/39/453821739.db2.gz SLGCRBFRYDQPJO-UHFFFAOYSA-N 0 0 337.166 3.479 40 0 EGABRN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cn2cccn2)o1 ZINC000028226716 453822645 /nfs/dbraw/zinc/82/26/45/453822645.db2.gz DTAXDHBNTGHMGQ-UHFFFAOYSA-N 0 0 349.312 3.473 40 0 EGABRN Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000028219895 453822756 /nfs/dbraw/zinc/82/27/56/453822756.db2.gz QETOTVWCSCAYTF-UHFFFAOYSA-N 0 0 327.409 3.290 40 0 EGABRN CCOc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)cc1 ZINC000028285181 453822957 /nfs/dbraw/zinc/82/29/57/453822957.db2.gz USRXTBMZIUHGDU-SFHVURJKSA-N 0 0 338.407 3.446 40 0 EGABRN C[C@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)N1CCCC1 ZINC000028869752 453825211 /nfs/dbraw/zinc/82/52/11/453825211.db2.gz FSFMMTLWSQZASE-JTQLQIEISA-N 0 0 336.848 3.228 40 0 EGABRN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1CC=CCC1 ZINC000029804323 453831697 /nfs/dbraw/zinc/83/16/97/453831697.db2.gz WPQLVPZPIXFIGH-CRAIPNDOSA-N 0 0 348.874 3.186 40 0 EGABRN NC(=O)COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000030249201 453834552 /nfs/dbraw/zinc/83/45/52/453834552.db2.gz WLWSZWJUAGXSNA-UHFFFAOYSA-N 0 0 338.407 3.001 40 0 EGABRN Cc1ccc(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000030752728 453837762 /nfs/dbraw/zinc/83/77/62/453837762.db2.gz ZROUOBLIQBJUMR-MRXNPFEDSA-N 0 0 335.407 3.264 40 0 EGABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000030756616 453837824 /nfs/dbraw/zinc/83/78/24/453837824.db2.gz GWCKYSZAAVBCMQ-QGZVFWFLSA-N 0 0 338.451 3.318 40 0 EGABRN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(C)c(C)s1 ZINC000031058080 453846091 /nfs/dbraw/zinc/84/60/91/453846091.db2.gz FHMHZVGKFCUSOF-UHFFFAOYSA-N 0 0 341.436 3.264 40 0 EGABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000031497384 453848138 /nfs/dbraw/zinc/84/81/38/453848138.db2.gz KZLHDBWDSOXDTJ-AWEZNQCLSA-N 0 0 331.437 3.198 40 0 EGABRN Cc1nc2ccccc2n1CCNC(=O)[C@@H](C)n1cnc2ccccc21 ZINC000031818417 453855192 /nfs/dbraw/zinc/85/51/92/453855192.db2.gz ZSSPRPOQBPIDTK-CQSZACIVSA-N 0 0 347.422 3.072 40 0 EGABRN C[C@@H](O)C[C@@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)c1ccccc1 ZINC000190725730 455374937 /nfs/dbraw/zinc/37/49/37/455374937.db2.gz IJUUOZZHFDEVFX-WBVHZDCISA-N 0 0 348.487 3.140 40 0 EGABRN COc1ccc(Cl)cc1C(=O)Nc1cc(N2CCCCC2)ncn1 ZINC000075166276 453868249 /nfs/dbraw/zinc/86/82/49/453868249.db2.gz SQDBERHRGMTVAU-UHFFFAOYSA-N 0 0 346.818 3.381 40 0 EGABRN CCOCCOCc1cccc(CNC(=O)c2cc(F)cc(F)c2)c1 ZINC000032368232 453869549 /nfs/dbraw/zinc/86/95/49/453869549.db2.gz CVMSVJVAZIQXLX-UHFFFAOYSA-N 0 0 349.377 3.448 40 0 EGABRN c1ccc2c(c1)cccc2CSCCNc1ccc2nnnn2n1 ZINC000053583634 453889349 /nfs/dbraw/zinc/88/93/49/453889349.db2.gz QWDVSSRMRXFKGD-UHFFFAOYSA-N 0 0 336.424 3.018 40 0 EGABRN C[C@H]1CCN(C(=O)CNC(=O)c2cccs2)[C@H](c2ccco2)C1 ZINC000075390693 453890033 /nfs/dbraw/zinc/89/00/33/453890033.db2.gz XAMGBVLRNAXORH-STQMWFEESA-N 0 0 332.425 3.071 40 0 EGABRN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2F)on1 ZINC000032830201 453892500 /nfs/dbraw/zinc/89/25/00/453892500.db2.gz OZGQLEPBORGKKJ-UHFFFAOYSA-N 0 0 326.283 3.462 40 0 EGABRN Cc1noc(C)c1CN1CCN(c2nc3ccccc3s2)CC1 ZINC000032819596 453892677 /nfs/dbraw/zinc/89/26/77/453892677.db2.gz NTUPOBRJMPLSRD-UHFFFAOYSA-N 0 0 328.441 3.223 40 0 EGABRN Cc1cc(COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)on1 ZINC000032829660 453892866 /nfs/dbraw/zinc/89/28/66/453892866.db2.gz FLTWKOOSXAQLLL-UHFFFAOYSA-N 0 0 340.335 3.494 40 0 EGABRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Oc1cccc(C(N)=O)c1 ZINC000032832578 453894004 /nfs/dbraw/zinc/89/40/04/453894004.db2.gz VXHRKXDDNAECPK-NSHDSACASA-N 0 0 333.771 3.120 40 0 EGABRN CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000081612580 453895749 /nfs/dbraw/zinc/89/57/49/453895749.db2.gz NBOPAPRTGUSLSN-AWEZNQCLSA-N 0 0 344.459 3.143 40 0 EGABRN CCOC(=O)CN1C(=O)S/C(=C/c2c(C)cc(C)cc2C)C1=O ZINC000035402709 453924251 /nfs/dbraw/zinc/92/42/51/453924251.db2.gz GSVOEWZKOFGZPO-RIYZIHGNSA-N 0 0 333.409 3.211 40 0 EGABRN CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000036892755 453932681 /nfs/dbraw/zinc/93/26/81/453932681.db2.gz IOMQVIJCBHPTJZ-ROKHWSDSSA-N 0 0 334.847 3.388 40 0 EGABRN CC(C)(CNC(=O)NCc1ccon1)c1cccc(C(F)(F)F)c1 ZINC000083209024 453943911 /nfs/dbraw/zinc/94/39/11/453943911.db2.gz KDZNXBSSAKOBIU-UHFFFAOYSA-N 0 0 341.333 3.470 40 0 EGABRN CC(C)(C)OC(=O)N[C@H](CN1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC000083259255 453947514 /nfs/dbraw/zinc/94/75/14/453947514.db2.gz FFLNGFJKSGHOPH-CQSZACIVSA-N 0 0 346.427 3.222 40 0 EGABRN CC[C@@H]1CCC[C@H](NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)C1 ZINC000083655813 453955214 /nfs/dbraw/zinc/95/52/14/453955214.db2.gz PGJQWEMXMHNAGG-RYRKJORJSA-N 0 0 338.492 3.325 40 0 EGABRN CCCc1nn2c(nc(CN(CC)c3ccccc3)cc2=O)s1 ZINC000041108704 453956501 /nfs/dbraw/zinc/95/65/01/453956501.db2.gz OWXFVQPTQIRJJJ-UHFFFAOYSA-N 0 0 328.441 3.130 40 0 EGABRN CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccc(Cl)cc1 ZINC000041108716 453956524 /nfs/dbraw/zinc/95/65/24/453956524.db2.gz SCXICCWTLFSCJC-UHFFFAOYSA-N 0 0 334.832 3.139 40 0 EGABRN Cc1noc([C@H]2CCCCN2C(=O)COc2cc(C)cc(C)c2)n1 ZINC000041122662 453957117 /nfs/dbraw/zinc/95/71/17/453957117.db2.gz IRVBTSZIJJAOOP-MRXNPFEDSA-N 0 0 329.400 3.127 40 0 EGABRN C[C@H](c1c(F)cccc1F)S(=O)(=O)Cc1cn2ccccc2n1 ZINC000083992621 453964386 /nfs/dbraw/zinc/96/43/86/453964386.db2.gz MSVWNXZOPGDVHT-LLVKDONJSA-N 0 0 336.363 3.289 40 0 EGABRN COc1ccccc1NC(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O ZINC000041549713 453971365 /nfs/dbraw/zinc/97/13/65/453971365.db2.gz CIOHYKGDIYOIDI-QGZVFWFLSA-N 0 0 346.770 3.077 40 0 EGABRN CC(C)c1cc(CNC(=O)N2CCc3c(F)ccc(F)c3C2)on1 ZINC000084159042 453974507 /nfs/dbraw/zinc/97/45/07/453974507.db2.gz IMPKXCGOOSJTLM-UHFFFAOYSA-N 0 0 335.354 3.344 40 0 EGABRN CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(F)ccc1Cl ZINC000076178091 453976072 /nfs/dbraw/zinc/97/60/72/453976072.db2.gz SZSCURDZMXLWLH-GFCCVEGCSA-N 0 0 330.812 3.119 40 0 EGABRN Cn1cc(C(=O)N[C@@H]2CCCOc3c4ccccc4ccc32)ccc1=O ZINC000084229331 453977910 /nfs/dbraw/zinc/97/79/10/453977910.db2.gz 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ZINC000014198843 453518631 /nfs/dbraw/zinc/51/86/31/453518631.db2.gz UXUODHXIVLFZND-UHFFFAOYSA-N 0 0 343.246 3.317 40 0 EGABRN CC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000014219593 453520924 /nfs/dbraw/zinc/52/09/24/453520924.db2.gz XBCVWHHYGFUALU-QGZVFWFLSA-N 0 0 332.425 3.075 40 0 EGABRN CCCCS(=O)(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000014236993 453524654 /nfs/dbraw/zinc/52/46/54/453524654.db2.gz WTRASWAHDJIJKH-UHFFFAOYSA-N 0 0 345.827 3.266 40 0 EGABRN C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@H](O)C(C)(C)O ZINC000014587260 453539841 /nfs/dbraw/zinc/53/98/41/453539841.db2.gz QYYKWTUUCOTGNS-RTGRKSDTSA-N 0 0 332.396 3.030 40 0 endogenous,in-man EGABRN CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1c2ccc(O)cc2OC[C@@]31O ZINC000014824332 453544925 /nfs/dbraw/zinc/54/49/25/453544925.db2.gz ZBTYHECJEINCMD-UYAOXDASSA-N 0 0 338.359 3.290 40 0 biogenic,in-vitro EGABRN NC(=O)[C@@H](OC(=O)/C=C/c1cccc2cccnc12)c1ccccc1 ZINC000014855462 453546033 /nfs/dbraw/zinc/54/60/33/453546033.db2.gz KIJREFGFIUZCJJ-CVTTXWKISA-N 0 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C[C@H]1CN(C(=O)NCc2cccc3c2OCCCO3)CCC1(F)F ZINC000290828544 276547379 /nfs/dbraw/zinc/54/73/79/276547379.db2.gz XRHRZXBBNFDVCK-LBPRGKRZSA-N 0 0 340.370 3.035 40 0 EGABRN COC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccccc2OC)s1 ZINC000025112736 277154377 /nfs/dbraw/zinc/15/43/77/277154377.db2.gz TYFZNUZKMWLIKY-NSHDSACASA-N 0 0 333.409 3.377 40 0 EGABRN CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)Nc1ccccc1O2 ZINC000091302872 277181888 /nfs/dbraw/zinc/18/18/88/277181888.db2.gz YBZJMWWHLZGBHW-UHFFFAOYSA-N 0 0 332.400 3.177 40 0 EGABRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000096412480 278036658 /nfs/dbraw/zinc/03/66/58/278036658.db2.gz FZCDCWUBPCNZOM-BZPMIXESSA-N 0 0 330.457 3.337 40 0 EGABRN CC(=O)NC[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257236291 278119578 /nfs/dbraw/zinc/11/95/78/278119578.db2.gz HBNDLBUYARASLM-HVTWWXFQSA-N 0 0 331.456 3.005 40 0 EGABRN CC(C)(C)CN(CC(C)(C)C)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000253416615 278322955 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Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCCc1cscn1 ZINC000154621701 323221549 /nfs/dbraw/zinc/22/15/49/323221549.db2.gz IOGIBOYDABAVAE-LLVKDONJSA-N 0 0 335.477 3.006 40 0 EGABRN O=C(Nc1cccc(Cl)c1F)C(=O)N(Cc1cccnc1)C1CC1 ZINC000162678497 323223758 /nfs/dbraw/zinc/22/37/58/323223758.db2.gz XDZCJJFKFXMJPJ-UHFFFAOYSA-N 0 0 347.777 3.004 40 0 EGABRN Cc1nc(CN(c2ccccc2F)S(C)(=O)=O)nc2ccccc12 ZINC000193685393 323842208 /nfs/dbraw/zinc/84/22/08/323842208.db2.gz KXXLGEFFPOMWEB-UHFFFAOYSA-N 0 0 345.399 3.044 40 0 EGABRN CCn1cnnc1NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000390833756 324283236 /nfs/dbraw/zinc/28/32/36/324283236.db2.gz MNGMDFXKMLZUBF-UHFFFAOYSA-N 0 0 349.753 3.306 40 0 EGABRN C[C@@H](CNC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccc(F)cc1F ZINC000390835656 324283933 /nfs/dbraw/zinc/28/39/33/324283933.db2.gz UFEAIZISPCSIOH-LBPRGKRZSA-N 0 0 348.397 3.381 40 0 EGABRN CC(=O)N1CCc2cc(NC(=O)CCCc3nccs3)ccc21 ZINC000241630836 455268645 /nfs/dbraw/zinc/26/86/45/455268645.db2.gz PLTULPPINICPEI-UHFFFAOYSA-N 0 0 329.425 3.014 40 0 EGABRN O=C(c1ccsc1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000241720788 455269228 /nfs/dbraw/zinc/26/92/28/455269228.db2.gz QSHTWASMQGWVJG-RDTXWAMCSA-N 0 0 343.452 3.278 40 0 EGABRN CCN1c2ccc(S(=O)(=O)NC3CCCC3)c3cccc(c23)C1=O ZINC000000079052 452499859 /nfs/dbraw/zinc/49/98/59/452499859.db2.gz FOUVRVROXNFCJM-UHFFFAOYSA-N 0 0 344.436 3.041 40 0 EGABRN CCOC(=O)c1ccccc1C1=NCCc2cc(OC)c(OC)cc21 ZINC000000273801 452552250 /nfs/dbraw/zinc/55/22/50/452552250.db2.gz FVHHCYUXUIYRFE-UHFFFAOYSA-N 0 0 339.391 3.274 40 0 EGABRN COC(=O)C1=NC(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C1C ZINC000000340067 452566857 /nfs/dbraw/zinc/56/68/57/452566857.db2.gz FVGFGPRLNSCMLK-MRXNPFEDSA-N 0 0 338.363 3.280 40 0 EGABRN CCc1cc2cc3c(cc2nc1SCC(=O)N(CC)CC)OCO3 ZINC000000412973 452580786 /nfs/dbraw/zinc/58/07/86/452580786.db2.gz TXOYCWGCFUYPCY-UHFFFAOYSA-N 0 0 346.452 3.486 40 0 EGABRN COc1cccc(-c2nnc(SCC(=O)N3CCC[C@@H](C)C3)o2)c1 ZINC000000417715 452582694 /nfs/dbraw/zinc/58/26/94/452582694.db2.gz 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